file int64 | a float64 | siga float64 | b float64 | sigb float64 | c float64 | sigc float64 | alpha float64 | sigalpha float64 | beta float64 | sigbeta float64 | gamma float64 | siggamma float64 | vol float64 | sigvol float64 | celltemp float64 | sigcelltemp float64 | diffrtemp float64 | sigdiffrtemp float64 | cellpressure float64 | sigcellpressure float64 | diffrpressure float64 | sigdiffrpressure float64 | thermalhist string | pressurehist string | compoundsource string | nel string | sg string | sgHall string | sgNumber int64 | commonname string | chemname string | mineral string | formula string | calcformula string | cellformula string | Z int64 | Zprime float64 | acce_code string | authors string | title string | journal string | year int64 | volume int64 | issue string | firstpage string | lastpage string | doi string | method string | radiation string | wavelength float64 | radType string | radSymbol string | Rall float64 | Robs float64 | Rref float64 | wRall float64 | wRobs float64 | wRref float64 | RFsqd float64 | RI float64 | gofall float64 | gofobs float64 | gofgt float64 | gofref float64 | duplicateof int64 | optimal int64 | status string | flags string | text string | svnrevision int64 | date string | time string | onhold string | cif_text string |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
2,007,409 | 9.554 | 0.001 | 10.401 | 0.001 | 12.999 | 0.001 | 71.92 | 0.01 | 70.72 | 0.01 | 74.95 | 0.01 | 1,141.2 | 0.2 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C30 H22 N2 O2 - | - C30 H22 N2 O2 - | - C60 H44 N4 O4 - | 2 | 1 | BM1201 | Puviarasan, K.; Govindasamy, L.; Velmurugan, D.; Shanmuga Sundara Raj, S.; Hoong-Kun Fun; Shanmuga Sundaram, M.; Raghunathan, R. | 1,3,4,8-Tetraphenyl-7-oxa-1,2-diazaspiro[4.4]nona-2,8-dien-6-one | Acta Crystallographica Section C | 1,998 | 54 | 7 | 959 | 961 | 10.1107/S0108270197020180 | 0.71073 | MoKα | 0.0812 | 0.0407 | null | null | null | 0.1141 | null | null | null | null | null | 0.783 | null | null | has coordinates | Puviarasan, K.; Govindasamy, L.; Velmurugan, D.; Shanmuga Sundara Raj, S.; Hoong-Kun Fun; Shanmuga Sundaram, M.; Raghunathan, R.
1,3,4,8-Tetraphenyl-7-oxa-1,2-diazaspiro[4.4]nona-2,8-dien-6-one
Acta Crystallographica Section C
54(7)
(1998)
959-961 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,007,410 | 11.999 | 0.002 | 15.45 | 0.002 | 13.197 | 0.002 | 90 | null | 90 | null | 90 | null | 2,446.5 | 0.6 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P n m a | -P 2ac 2n | 62 | Ferrocenium μ-bromo-bis(dibromodimethylstannate(IV)) | - C14 H22 Br5 Fe Sn2 - | - C14 H22 Br5 Fe Sn2 - | - C56 H88 Br20 Fe4 Sn8 - | 4 | 0.5 | BM1212 | Razak, Ibrahim Abdul; Fun, Hoong-Kun; Yamin, Bohari M.; Boshaala, Ahmed M. A.; Chinnakali, Kandasamy | Ferrocenium μ-Bromo-bis[dibromodimethylstannate(IV)] | Acta Crystallographica Section C | 1,998 | 54 | 7 | 912 | 914 | 10.1107/S0108270198002352 | 0.71073 | MoKα | 0.2 | 0.043 | null | 0.107 | 0.081 | null | null | null | 0.704 | 1.05 | 1.05 | null | null | null | has coordinates | Razak, Ibrahim Abdul; Fun, Hoong-Kun; Yamin, Bohari M.; Boshaala, Ahmed M. A.; Chinnakali, Kandasamy
Ferrocenium μ-Bromo-bis[dibromodimethylstannate(IV)]
Acta Crystallographica Section C
54(7)
(1998)
912-914 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
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2,007,411 | 10.7138 | 0.0011 | 11.5397 | 0.0014 | 18.747 | 0.003 | 90 | null | 90 | null | 90 | null | 2,317.8 | 0.5 | 150 | 2 | 150 | 2 | null | null | null | null | 5 | P 21 21 21 | P 2ac 2ab | 19 | Methyl 5-deoxy-5-C-[(iododiphenylstannyl)methyl]-2,3-O-isopropylidene -α-D-lyxofuranoside | - C22 H27 I O4 Sn - | - C22 H27 I O4 Sn - | - C88 H108 I4 O16 Sn4 - | 4 | 1 | BM1215 | Charles C. C. Chibesakunda; Philip J. Cox; Helena Rufino; James L. Wardell | Methyl 5-Deoxy-5-<i>C</i>-[(iododiphenylstannyl)methyl]-2,3-<i>O</i>-isopropylidene-α-<small>D</small>-lyxofuranoside | Acta Crystallographica Section C | 1,998 | 54 | 7 | 925 | 927 | 10.1107/S0108270198001413 | 0.71073 | MoKα | 0.04 | 0.038 | null | null | null | 0.093 | null | null | null | null | null | 1.12 | null | null | has coordinates | Charles C. C. Chibesakunda; Philip J. Cox; Helena Rufino; James L. Wardell
Methyl 5-Deoxy-5-<i>C</i>-[(iododiphenylstannyl)methyl]-2,3-<i>O</i>-isopropylidene-α-<small>D</small>-lyxofuranoside
Acta Crystallographica Section C
54(7)
(1998)
925-927 | 201,955 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-10-13 03:08:28 +0300 (Fri, 13 Oct 2017) $
#$Revision: 201955 $
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2,007,412 | 7.638 | 0.008 | 10.885 | 0.012 | 10.845 | 0.012 | 60.832 | 0.01 | 69.164 | 0.01 | 79.24 | 0.01 | 735.7 | 1.4 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P -1 | -P 1 | 2 | 2,4,6-Tri-2-pyridyl-1,3,5-Triazine | - C18 H12 N6 - | - C18 H12 N6 - | - C36 H24 N12 - | 2 | 1 | BM1223 | Drew, Michael G. B.; Hudson, Michael J.; Iveson, Peter B.; Russell, Mark L.; Madic, Charles | 2,4,6-Tris(2-pyridyl)-1,3,5-triazine | Acta Crystallographica Section C | 1,998 | 54 | 7 | 985 | 987 | 10.1107/S0108270198001929 | 0.71073 | MoKα | 0.058 | 0.05 | null | null | null | 0.159 | null | null | null | null | null | 1.092 | null | null | has coordinates | Drew, Michael G. B.; Hudson, Michael J.; Iveson, Peter B.; Russell, Mark L.; Madic, Charles
2,4,6-Tris(2-pyridyl)-1,3,5-triazine
Acta Crystallographica Section C
54(7)
(1998)
985-987 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,007,413 | 8.052 | 0.003 | 6.632 | 0.005 | 9.815 | 0.002 | 90 | null | 90 | null | 90 | null | 524.1 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P n a 21 | P 2c -2n | 33 | - As Li3 S3 - | - As Li3 S3 - | - As4 Li12 S12 - | 4 | 1 | BR1180 | Seung,Do-Young; Gravereau,Pierre; Trut,Louis; Levasseur,Alain | Li~3~AsS~3~ | Acta Crystallographica Section C | 1,998 | 54 | 7 | 900 | 902 | 10.1107/S0108270198001103 | 0.7107 | MoKα | null | 0.051 | null | null | null | 0.1017 | null | null | null | null | null | 1.182 | null | null | has coordinates | Seung,Do-Young; Gravereau,Pierre; Trut,Louis; Levasseur,Alain
Li~3~AsS~3~
Acta Crystallographica Section C
54(7)
(1998)
900-902 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/74/2007413.cif $
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2,230,015 | 15.044 | 0.006 | 11.303 | 0.004 | 12.783 | 0.005 | 90 | null | 108.009 | 0.015 | 90 | null | 2,067.2 | 1.4 | 273.1 | null | 273.1 | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | 2-[2-(1<i>H</i>-Imidazol-3-ium-5-yl)ethyl]-3-(pyridin-2-yl)-2<i>H</i>- imidazo[1,5-<i>a</i>]pyridin-4-ium bis(perchlorate) | - C17 H17 Cl2 N5 O8 - | - C17 H17 Cl2 N5 O8 - | - C68 H68 Cl8 N20 O32 - | 4 | 1 | HB5862 | Türkyılmaz, Murat; Baran, Yakup; Özdemir, Namık | 2-[2-(1<i>H</i>-Imidazol-3-ium-5-yl)ethyl]-3-(pyridin-2-yl)-2<i>H</i>-imidazo[1,5-<i>a</i>]pyridin-4-ium bis(perchlorate) | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1282 | 10.1107/S1600536811015625 | 0.71073 | MoKα | 0.1284 | 0.074 | null | null | 0.1851 | 0.214 | null | null | null | null | null | 1.065 | null | null | has coordinates,has disorder,has Fobs | Türkyılmaz, Murat; Baran, Yakup; Özdemir, Namık
2-[2-(1<i>H</i>-Imidazol-3-ium-5-yl)ethyl]-3-(pyridin-2-yl)-2<i>H</i>-imidazo[1,5-<i>a</i>]pyridin-4-ium bis(perchlorate)
Acta Crystallographica Section E
67(5)
(2011)
o1282 | 301,806 | 2025-08-19 | 15:27:02 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301806 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/00/2230015.cif $
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2,007,414 | 5.4942 | 0.0002 | 5.4942 | 0.0002 | 5.4942 | 0.0002 | 90 | null | 90 | null | 90 | null | 165.85 | 0.02 | 293 | null | 293 | null | null | null | 1,000,000 | 5,000 | synthetic | 2 | P a -3 | -P 2ac 2ab 3 | 205 | carbon dioxide | - C O2 - | - C O2 - | - C4 O8 - | 4 | 0.166667 | Downs, R. T.; Somayazulu, M. S. | Carbon dioxide at 1.0 GPa | Acta Crystallographica, Section C: Crystal Structure Communications | 1,998 | 54 | 7 | 897 | 898 | 10.1107/S0108270198001140 | 0.7107 | MoKα | 0.078 | 0.041 | null | 0.019 | 0.018 | null | null | null | null | 1.28 | 1.28 | null | null | null | has coordinates | Downs, R. T.; Somayazulu, M. S.
Carbon dioxide at 1.0 GPa
Acta Crystallographica, Section C: Crystal Structure Communications
54(7)
(1998)
897-898 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,007,415 | 15.6684 | 0.0008 | 15.6684 | 0.0008 | 3.829 | 0.001 | 90 | null | 90 | null | 90 | null | 940 | 0.3 | 298 | null | 298 | null | null | null | null | null | 3 | I 4/m | -I 4 | 87 | Nonaniobium arsenic pentacosaoxide, | - As Nb9 O25 - | - As Nb9 O25 - | - As2 Nb18 O50 - | 2 | 0.125 | BR1199 | Ulutagay, Mutlu; Schimek, George L.; Hwu, Shiou-Jyh | A Niobium(V) Arsenate: Nb~9~AsO~25~ | Acta Crystallographica Section C | 1,998 | 54 | 7 | 898 | 900 | 10.1107/S0108270198000134 | 0.71073 | MoKα | 0.0295 | 0.0259 | null | 0.0528 | 0.0522 | null | null | null | null | 1.69 | 1.69 | null | null | null | has coordinates | Ulutagay, Mutlu; Schimek, George L.; Hwu, Shiou-Jyh
A Niobium(V) Arsenate: Nb~9~AsO~25~
Acta Crystallographica Section C
54(7)
(1998)
898-900 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/74/2007415.cif $
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2,007,416 | 9.728 | 0.002 | 10.556 | 0.002 | 9.499 | 0.003 | 108.59 | 0.02 | 93.55 | 0.02 | 102.414 | 0.015 | 893.9 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 7 | P -1 | -P 1 | 2 | - C36 H30 Br2.5 Cl1.5 O2 P2 Re - | - C36 H30 Br2.52 Cl1.52 O2 P2 Re - | - C36 H30 Br2.52 Cl1.52 O2 P2 Re - | 1 | 0.5 | CF1176 | Harben, Spencer M.; Smith, Paul D.; Beddoes, Roy L.; Helliwell, Madeleine; Collison, David; Garner, C. David | Mixed-halide Complex <i>trans</i>-Tetrahalobis(triphenylphosphine oxide)rhenium(IV) | Acta Crystallographica Section C | 1,998 | 54 | 7 | 941 | 943 | 10.1107/S0108270197018027 | 1.54178 | CuKα | 0.056 | 0.052 | null | 0.148 | 0.1411 | null | null | null | 1.095 | 1.084 | 1.084 | null | null | null | has coordinates | Harben, Spencer M.; Smith, Paul D.; Beddoes, Roy L.; Helliwell, Madeleine; Collison, David; Garner, C. David
Mixed-halide Complex <i>trans</i>-Tetrahalobis(triphenylphosphine oxide)rhenium(IV)
Acta Crystallographica Section C
54(7)
(1998)
941-943 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/74/2007416.cif $
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2,007,417 | 8.483 | 0.001 | 19.174 | 0.003 | 7.1793 | 0.0008 | 90 | null | 90 | null | 90 | null | 1,167.7 | 0.3 | 123 | null | 123 | null | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | - C13 H17 N O - | - C13 H17 N O - | - C52 H68 N4 O4 - | 4 | 1 | CF1221 | Graham, Duncan; Kennedy, Alan R. | 7-Methoxy-2,2,4-trimethyl-1,2-dihydroquinoline | Acta Crystallographica Section C | 1,998 | 54 | 7 | 978 | 980 | 10.1107/S0108270198001577 | 0.71069 | MoKα | 0.076 | 0.036 | null | 0.047 | 0.041 | null | null | null | null | 1.22 | 1.22 | null | null | null | has coordinates,has Fobs | Graham, Duncan; Kennedy, Alan R.
7-Methoxy-2,2,4-trimethyl-1,2-dihydroquinoline
Acta Crystallographica Section C
54(7)
(1998)
978-980 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/74/2007417.cif $
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2,007,418 | 9.023 | 0.0005 | 17.894 | 0.002 | 24.469 | 0.002 | 90 | null | 90 | null | 90 | null | 3,950.7 | 0.6 | 299 | null | null | null | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | 19 | 1α-(3'-furyl)-4β,4aβ-epoxy-5,8aα-dimethyl-3-oxohexahydro- 1H-2-benzopyran | - C15 H16 O4 - | - C15 H16 O4 - | - C180 H192 O48 - | 12 | 3 | DA1000 | Rajab, Mohamed S.; Fronczek, Frank R.; Rugutt, Joseph K.; Fischer, Nikolaus H. | Calodendrolide, a Degraded Limonoid from <i>Calodendrum capense</i> | Acta Crystallographica Section C | 1,998 | 54 | 7 | 950 | 952 | 10.1107/S0108270197015151 | 1.54184 | CuKα | null | 0.052 | null | null | 0.044 | null | null | null | null | 1.557 | 1.557 | null | null | null | has coordinates,has Fobs | Rajab, Mohamed S.; Fronczek, Frank R.; Rugutt, Joseph K.; Fischer, Nikolaus H.
Calodendrolide, a Degraded Limonoid from <i>Calodendrum capense</i>
Acta Crystallographica Section C
54(7)
(1998)
950-952 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,007,419 | 11.159 | 0.002 | 16.21 | 0.003 | 16.807 | 0.003 | 87.58 | 0.03 | 81.48 | 0.03 | 80.65 | 0.03 | 2,966.2 | 1 | 295 | 2 | 296 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C68 H79 N3 O11 - | - C68 H79 N3 O11 - | - C136 H158 N6 O22 - | 2 | 1 | DA1004 | Nachtigall, Francine F.; Vencato, Ivo; Lazzarotto, Márcio; Nome, Faruk | Calix[4]arene Piperidinium Salt | Acta Crystallographica Section C | 1,998 | 54 | 7 | 1007 | 1010 | 10.1107/S0108270197019197 | 0.71073 | MoKα | 0.1065 | 0.0567 | null | null | null | 0.1917 | null | null | null | null | null | 1.024 | null | null | has coordinates | Nachtigall, Francine F.; Vencato, Ivo; Lazzarotto, Márcio; Nome, Faruk
Calix[4]arene Piperidinium Salt
Acta Crystallographica Section C
54(7)
(1998)
1007-1010 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,007,420 | 5.0283 | 0.0003 | 8.0427 | 0.0005 | 16.03 | 0.001 | 90 | null | 90 | null | 90 | null | 648.27 | 0.07 | 295 | null | 295 | null | null | null | null | null | 4 | P b c a | -P 2ac 2ab | 61 | Lithium Ethylene Glyconate | mono lithium ethylene glyconate | - C2 H5 Li O2 - | - C2 H5 Li O2 - | - C16 H40 Li8 O16 - | 8 | 1 | DA1011 | Mamak, Marc; Zavalij, Peter Y.; Whittingham, M. Stanley | Layered Structure of Lithium Ethylene Glycolate, Li(OCH~2~CH~2~OH) | Acta Crystallographica Section C | 1,998 | 54 | 7 | 937 | 939 | 10.1107/S0108270198002121 | 0.71069 | MoKα | null | 0.036 | null | null | 0.055 | null | null | null | null | 1.63 | 1.63 | null | null | null | has coordinates | Mamak, Marc; Zavalij, Peter Y.; Whittingham, M. Stanley
Layered Structure of Lithium Ethylene Glycolate, Li(OCH~2~CH~2~OH)
Acta Crystallographica Section C
54(7)
(1998)
937-939 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/74/2007420.cif $
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2,230,014 | 20.351 | 0.002 | 12.749 | 0.001 | 7.41 | 0.002 | 90 | null | 90 | null | 90 | null | 1,922.6 | 0.6 | 298 | 2 | 298 | 2 | null | null | null | null | 7 | P n a 21 | P 2c -2n | 33 | (Acetylacetonato-κ^2^<i>O</i>,<i>O</i>')(2-bromo-4-chloro-6-{[2- (dimethylamino)ethylimino]methyl}phenolato- κ^3^<i>N</i>,<i>N</i>',<i>O</i>)oxidovanadium(IV) | - C16 H20 Br Cl N2 O4 V - | - C16 H20 Br Cl N2 O4 V - | - C64 H80 Br4 Cl4 N8 O16 V4 - | 4 | 1 | HB5858 | Wang, Fu-Ming | (Acetylacetonato-κ^2^<i>O</i>,<i>O</i>')(2-bromo-4-chloro-6-{[2-(dimethylamino)ethylimino]methyl}phenolato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>)oxidovanadium(IV) | Acta Crystallographica Section E | 2,011 | 67 | 5 | m650 | 10.1107/S1600536811015406 | 0.71073 | MoKα | 0.0988 | 0.0469 | null | null | 0.0822 | 0.0999 | null | null | null | null | null | 0.93 | null | null | has coordinates,has Fobs | Wang, Fu-Ming
(Acetylacetonato-κ^2^<i>O</i>,<i>O</i>')(2-bromo-4-chloro-6-{[2-(dimethylamino)ethylimino]methyl}phenolato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>)oxidovanadium(IV)
Acta Crystallographica Section E
67(5)
(2011)
m650 | 301,806 | 2025-08-19 | 15:27:02 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301806 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/00/2230014.cif $
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2,007,421 | 12.704 | 0.002 | 15.788 | 0.004 | 16.676 | 0.002 | 90 | null | 107.7 | 0.01 | 90 | null | 3,186.4 | 1 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/a 1 | -P 2yab | 14 | - C19 H18 N2 O - | - C19 H18 N2 O - | - C152 H144 N16 O8 - | 8 | 2 | DE1064 | R.V. Krishnakumar; S. Natarajan; V. Vijayabaskar; S. Perumal | Racemic 1-Acetyl-5-phenyl-3-styryl-2-pyrazoline | Acta Crystallographica Section C | 1,998 | 54 | 7 | 976 | 978 | 10.1107/S0108270198000146 | 0.71073 | MoKα | 0.118 | 0.07 | null | 0.148 | 0.135 | null | null | null | 1.284 | 1.547 | 1.547 | null | null | null | has coordinates | R.V. Krishnakumar; S. Natarajan; V. Vijayabaskar; S. Perumal
Racemic 1-Acetyl-5-phenyl-3-styryl-2-pyrazoline
Acta Crystallographica Section C
54(7)
(1998)
976-978 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/74/2007421.cif $
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2,007,422 | 10.25 | 0.004 | 19.183 | 0.005 | 10.077 | 0.005 | 90 | null | 99.05 | 0.03 | 90 | null | 1,956.7 | 1.3 | 288 | null | null | null | null | null | null | null | 7 | P 1 21/c 1 | -P 2ybc | 14 | - C17 H16 Cl F2 N O6 S2 - | - C17 H16 Cl F2 N O6 S2 - | - C68 H64 Cl4 F8 N4 O24 S8 - | 4 | 1 | DE1071 | Masakazu Sato; Keita Matsumoto; Yutaka Kawashima; Kazuyuki Tomisawa | Methyl Ester of the Bioactive Metabolite of Thromboxane A2 Receptor Antagonist ON-579 | Acta Crystallographica Section C | 1,998 | 54 | 7 | 982 | 984 | 10.1107/S0108270198000158 | 1.5418 | CuKα | null | 0.052 | null | null | 0.048 | null | null | null | null | 3.267 | 3.267 | null | null | null | has coordinates,has Fobs | Masakazu Sato; Keita Matsumoto; Yutaka Kawashima; Kazuyuki Tomisawa
Methyl Ester of the Bioactive Metabolite of Thromboxane A2 Receptor Antagonist ON-579
Acta Crystallographica Section C
54(7)
(1998)
982-984 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,007,423 | 6.87 | 0.002 | 20.711 | 0.002 | 8.526 | 0.001 | 90 | null | 100.69 | 0.01 | 90 | null | 1,192.1 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | (±)-6,6'-Anhydro-2'-deoxy-6,6'b-dihydroxycarbacytidine | (±)-6,6'-Anhydro-2'-deoxy-6,6'b-dihydroxycarbacytidine | - C10 H15 N3 O5 - | - C10 H15 N3 O5 - | - C40 H60 N12 O20 - | 4 | 1 | DE1077 | Ohishi, Hirofumi; Urata, Hidehito; Akagi, Masao; Tomita, Ken-ichi | A (±)-Cyclocytidine Analogue with a Low-<i>anti</i> Conformation around the Glycosyl Bond | Acta Crystallographica Section C | 1,998 | 54 | 7 | 980 | 982 | 10.1107/S010827019800016X | 1.5418 | CuKα | 0.069 | 0.052 | null | 0.143 | 0.134 | null | null | null | 2.098 | 2.259 | 2.259 | null | null | null | has coordinates,has disorder | Ohishi, Hirofumi; Urata, Hidehito; Akagi, Masao; Tomita, Ken-ichi
A (±)-Cyclocytidine Analogue with a Low-<i>anti</i> Conformation around the Glycosyl Bond
Acta Crystallographica Section C
54(7)
(1998)
980-982 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,007,424 | 16.603 | 0.005 | 6.743 | 0.001 | 12.136 | 0.005 | 90 | null | 130.77 | 0.02 | 90 | null | 1,029 | 0.6 | 291 | 2 | 291 | 2 | null | null | null | null | 3 | C 1 2 1 | C 2y | 5 | - C11 H18 N2 - | - C11 H18 N2 - | - C44 H72 N8 - | 4 | 1 | FG1368 | Jordan, Richard F.; Black, David G.; Swenson, Dale C. | (5a<i>R</i>,9a<i>R</i>)-2,4-Dimethyl-5a,6,7,8,9,9a-hexahydro-1<i>H</i>-1,5-benzodiazepine | Acta Crystallographica Section C | 1,998 | 54 | 7 | 1030 | 1033 | 10.1107/S0108270198001279 | 0.7107 | MoKα | 0.0577 | 0.0439 | null | 0.1092 | 0.103 | null | null | null | 1.041 | 1.082 | 1.082 | null | null | null | has coordinates,has disorder | Jordan, Richard F.; Black, David G.; Swenson, Dale C.
(5a<i>R</i>,9a<i>R</i>)-2,4-Dimethyl-5a,6,7,8,9,9a-hexahydro-1<i>H</i>-1,5-benzodiazepine
Acta Crystallographica Section C
54(7)
(1998)
1030-1033 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/74/2007424.cif $
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2,230,013 | 13.4757 | 0.0007 | 8.517 | 0.0006 | 24.6285 | 0.0017 | 90 | null | 90 | null | 90 | null | 2,826.7 | 0.3 | 295 | 2 | 295 | 2 | null | null | null | null | 4 | P b c a | -P 2ac 2ab | 61 | 4-Nitro-<i>N</i>-(4-nitrobenzoyl)benzamide | - C14 H9 N3 O6 - | - C14 H9 N3 O6 - | - C112 H72 N24 O48 - | 8 | 1 | HB5852 | Saeed, Sohail; Rashid, Naghmana; Ng, Seik Weng; Tiekink, Edward R. T. | 4-Nitro-<i>N</i>-(4-nitrobenzoyl)benzamide | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1194 | 10.1107/S1600536811014450 | 0.71073 | MoKα | 0.1167 | 0.0654 | null | null | 0.1708 | 0.2173 | null | null | null | null | null | 1.023 | null | null | has coordinates,has disorder,has Fobs | Saeed, Sohail; Rashid, Naghmana; Ng, Seik Weng; Tiekink, Edward R. T.
4-Nitro-<i>N</i>-(4-nitrobenzoyl)benzamide
Acta Crystallographica Section E
67(5)
(2011)
o1194 | 301,806 | 2025-08-19 | 15:27:02 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301806 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/00/2230013.cif $
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2,007,425 | 8.57 | 0.002 | 12.4127 | 0.0015 | 14.549 | 0.002 | 90 | null | 106.502 | 0.015 | 90 | null | 1,483.9 | 0.5 | 296 | null | 296 | null | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | sp-(R)-9-(o-t-Butylphenyl)-9-fluorenol-2-N- [(S)-α-methylbenzyl]carboamide^.^Acetone | - C35 H37 N O3 - | - C35 H37 N O3 - | - C70 H74 N2 O6 - | 2 | 1 | FG1426 | Hou, Yuqing; Meyers, Cal Y.; Robinson, Paul D. | <i>sp</i>-(<i>R</i>)-9-(<i>o</i>-<i>tert</i>-Butylphenyl)-9-hydroxy-<i>N</i>-[(<i>S</i>)-α-methylbenzyl]fluorene-2-carboxamide–Acetone: a Novel 1:1 Cavitate | Acta Crystallographica Section C | 1,998 | 54 | 7 | 1013 | 1016 | 10.1107/S0108270198001280 | 0.71069 | MoKα | 0.1349 | 0.0381 | null | 0.1256 | null | 0.0922 | null | null | 1.012 | 1.145 | 1.145 | null | null | null | has coordinates | Hou, Yuqing; Meyers, Cal Y.; Robinson, Paul D.
<i>sp</i>-(<i>R</i>)-9-(<i>o</i>-<i>tert</i>-Butylphenyl)-9-hydroxy-<i>N</i>-[(<i>S</i>)-α-methylbenzyl]fluorene-2-carboxamide–Acetone: a Novel 1:1 Cavitate
Acta Crystallographica Section C
54(7)
(1998)
1013-1016 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,007,426 | 9.5604 | 0.0015 | 18.2218 | 0.0017 | 12.782 | 0.003 | 90 | null | 107.536 | 0.017 | 90 | null | 2,123.2 | 0.7 | 293 | 1 | 293 | 1 | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | Doxylamine tetrachlorozincate(II) | - C17 H24 Cl4 N2 O Zn - | - C17 H24 Cl4 N2 O Zn - | - C68 H96 Cl16 N8 O4 Zn4 - | 4 | 1 | FG1429 | Parvez, Masood; Sabir, Aaliya P. | Doxylaminium Tetrachlorozincate(II) and Doxylaminium Tetrachlorocobaltate(II) | Acta Crystallographica Section C | 1,998 | 54 | 7 | 933 | 935 | 10.1107/S0108270198001292 | 1.54178 | CuKα | 0.0654 | 0.0429 | null | null | null | 0.1099 | null | null | null | null | null | 1.001 | null | null | has coordinates | Parvez, Masood; Sabir, Aaliya P.
Doxylaminium Tetrachlorozincate(II) and Doxylaminium Tetrachlorocobaltate(II)
Acta Crystallographica Section C
54(7)
(1998)
933-935 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/74/2007426.cif $
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2,007,427 | 9.5279 | 0.0012 | 18.229 | 0.003 | 12.7795 | 0.0013 | 90 | null | 107.313 | 0.009 | 90 | null | 2,119 | 0.5 | 170 | 1 | 170 | 1 | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | Doxylamine tetrachlorocobaltate(II) | - C17 H24 Cl4 Co N2 O - | - C17 H24 Cl4 Co N2 O - | - C68 H96 Cl16 Co4 N8 O4 - | 4 | 1 | FG1429 | Parvez, Masood; Sabir, Aaliya P. | Doxylaminium Tetrachlorozincate(II) and Doxylaminium Tetrachlorocobaltate(II) | Acta Crystallographica Section C | 1,998 | 54 | 7 | 933 | 935 | 10.1107/S0108270198001292 | 0.71069 | MoKα | 0.215 | 0.0484 | null | null | null | 0.1673 | null | null | null | null | null | 0.953 | null | null | has coordinates | Parvez, Masood; Sabir, Aaliya P.
Doxylaminium Tetrachlorozincate(II) and Doxylaminium Tetrachlorocobaltate(II)
Acta Crystallographica Section C
54(7)
(1998)
933-935 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
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2,007,428 | 9.8769 | 0.0001 | 9.8769 | 0.0001 | 35.3642 | 0.0002 | 90 | null | 90 | null | 90 | null | 3,449.89 | 0.05 | 223 | 2 | 223 | 2 | null | null | null | null | 4 | P 43 21 2 | P 4nw 2abw | 96 | - C20 H18 N3 O - | - C20 H18 N3 O - | - C160 H144 N24 O8 - | 8 | 1 | FR1077 | George, Mathew; Das, Suresh; Ashokan, C. V.; Rath, Nigam P.; George, M. V. | 2-Phenyl-3-(5,6,7,7a-tetrahydro-1<i>H</i>,3<i>H</i>-pyrrolo[1,2-<i>c</i>]oxazol-3-ylidene)-1-propene-1,1-dicarbonitrile and 4-(4-Methoxyphenyl)-2,6-bis(methylthio)pyridine-3-carbonitrile | Acta Crystallographica Section C | 1,998 | 54 | 7 | 1033 | 1036 | 10.1107/S0108270197018398 | 0.71073 | MoKα | 0.0784 | 0.0504 | null | 0.1175 | 0.103 | null | null | null | 1.043 | 1.11 | 1.11 | null | null | null | has coordinates | George, Mathew; Das, Suresh; Ashokan, C. V.; Rath, Nigam P.; George, M. V.
2-Phenyl-3-(5,6,7,7a-tetrahydro-1<i>H</i>,3<i>H</i>-pyrrolo[1,2-<i>c</i>]oxazol-3-ylidene)-1-propene-1,1-dicarbonitrile and 4-(4-Methoxyphenyl)-2,6-bis(methylthio)pyridine-3-carbonitrile
Acta Crystallographica Section C
54(7)
(1998)
1033-1036 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/74/2007428.cif $
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2,230,012 | 8.9204 | 0.0002 | 6.035 | 0.0002 | 22.475 | 0.0006 | 90 | null | 90.051 | 0.003 | 90 | null | 1,209.93 | 0.06 | 100 | 2 | 100 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | (2<i>E</i>)-2-[2-(Cyclohexylcarbamothioyl)hydrazinylidene]propanoic acid | - C10 H17 N3 O2 S - | - C10 H17 N3 O2 S - | - C40 H68 N12 O8 S4 - | 4 | 1 | HB5851 | Affan, Md. Abu; Salam, Md. Abdus; Ahmad, Fasihuddin B.; Ng, Seik Weng; Tiekink, Edward R. T. | (2<i>E</i>)-2-[2-(Cyclohexylcarbamothioyl)hydrazinylidene]propanoic acid | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1193 | 10.1107/S1600536811014449 | 0.71073 | MoKα | 0.0525 | 0.0408 | null | null | 0.1209 | 0.1434 | null | null | null | null | null | 0.975 | null | null | has coordinates,has Fobs | Affan, Md. Abu; Salam, Md. Abdus; Ahmad, Fasihuddin B.; Ng, Seik Weng; Tiekink, Edward R. T.
(2<i>E</i>)-2-[2-(Cyclohexylcarbamothioyl)hydrazinylidene]propanoic acid
Acta Crystallographica Section E
67(5)
(2011)
o1193 | 301,806 | 2025-08-19 | 15:27:02 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301806 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/00/2230012.cif $
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2,007,429 | 10.598 | 0.002 | 7.5746 | 0.001 | 19.053 | 0.004 | 90 | null | 103.026 | 0.011 | 90 | null | 1,490.1 | 0.5 | 295 | 2 | 295 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C15 H14 N2 O S2 - | - C15 H14 N2 O S2 - | - C60 H56 N8 O4 S8 - | 4 | 1 | FR1077 | George, Mathew; Das, Suresh; Ashokan, C. V.; Rath, Nigam P.; George, M. V. | 2-Phenyl-3-(5,6,7,7a-tetrahydro-1<i>H</i>,3<i>H</i>-pyrrolo[1,2-<i>c</i>]oxazol-3-ylidene)-1-propene-1,1-dicarbonitrile and 4-(4-Methoxyphenyl)-2,6-bis(methylthio)pyridine-3-carbonitrile | Acta Crystallographica Section C | 1,998 | 54 | 7 | 1033 | 1036 | 10.1107/S0108270197018398 | 0.71073 | MoKα | 0.0981 | 0.0495 | null | 0.1136 | 0.0944 | null | null | null | 1.015 | 1.112 | 1.112 | null | null | null | has coordinates | George, Mathew; Das, Suresh; Ashokan, C. V.; Rath, Nigam P.; George, M. V.
2-Phenyl-3-(5,6,7,7a-tetrahydro-1<i>H</i>,3<i>H</i>-pyrrolo[1,2-<i>c</i>]oxazol-3-ylidene)-1-propene-1,1-dicarbonitrile and 4-(4-Methoxyphenyl)-2,6-bis(methylthio)pyridine-3-carbonitrile
Acta Crystallographica Section C
54(7)
(1998)
1033-1036 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/74/2007429.cif $
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2,007,430 | 7.425 | 0.002 | 9.568 | 0.003 | 14.035 | 0.004 | 90 | null | 97.13 | 0.02 | 90 | 0.02 | 989.4 | 0.5 | 163 | 1 | null | null | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | 3,4-Dimethyltetrathiafulvalene | - C8 H8 S4 - | - C8 H8 S4 - | - C32 H32 S16 - | 4 | 1 | FR1086 | Uzelmeier, Calvin E.; Fourmigué, Marc; Dunbar, Kim R. | 3,4-Dimethyltetrathiafulvalene | Acta Crystallographica Section C | 1,998 | 54 | 7 | 1047 | 1049 | 10.1107/S0108270198000894 | 0.71073 | MoKα | null | 0.035 | null | null | null | 0.093 | null | null | 1.068 | 1.123 | 1.123 | null | null | null | has coordinates,has Fobs | Uzelmeier, Calvin E.; Fourmigué, Marc; Dunbar, Kim R.
3,4-Dimethyltetrathiafulvalene
Acta Crystallographica Section C
54(7)
(1998)
1047-1049 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/74/2007430.cif $
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2,007,431 | 11.1046 | 0.0005 | 15.0729 | 0.0008 | 14.2998 | 0.0007 | 90 | null | 100.205 | 0.001 | 90 | null | 2,355.6 | 0.2 | 173 | 2 | 173 | 2 | null | null | null | null | 7 | P 1 21/n 1 | -P 2yn | 14 | - C38 H26 F24 N2 Ni2 O10 S2 - | - C38 H26 F24 N2 Ni2 O10 S2 - | - C76 H52 F48 N4 Ni4 O20 S4 - | 2 | 0.5 | FR1094 | Dickman, Michael H.; Ward, Jeffrey P.; Villamena, Frederick A.; Crist, DeLanson R. | Bis(μ-{<i>N</i>-[(methylthio)phenylmethylene]methanamine <i>N</i>-oxide}-<i>O</i>:<i>O</i>)bis[bis(1,1,1,5,5,5,-hexafluoropentane-2,4-dionato-<i>O</i>, 4-dionato-<i>O</i>,<i>O</i>')nickel(II)] | Acta Crystallographica Section C | 1,998 | 54 | 7 | 929 | 930 | 10.1107/S0108270198000730 | 0.71073 | MoKα | 0.041 | 0.031 | null | 0.076 | 0.071 | null | null | null | 1.03 | 1.055 | 1.055 | null | null | null | has coordinates | Dickman, Michael H.; Ward, Jeffrey P.; Villamena, Frederick A.; Crist, DeLanson R.
Bis(μ-{<i>N</i>-[(methylthio)phenylmethylene]methanamine <i>N</i>-oxide}-<i>O</i>:<i>O</i>)bis[bis(1,1,1,5,5,5,-hexafluoropentane-2,4-dionato-<i>O</i>, 4-dionato-<i>O</i>,<i>O</i>')nickel(II)]
Acta Crystallographica Section C
54(7)
(1998... | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,007,432 | 24.823 | 0.004 | 18.17 | 0.002 | 11.429 | 0.002 | 90 | null | 110.61 | 0.01 | 90 | null | 4,824.9 | 1.3 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | C 1 2/c 1 | -C 2yc | 15 | Bis(quinoline)-1κN;2κN-di-(-bromine-1:2κ^4^Br- bis(triphenylphosphine)-1κP;2κP-di-copper(1) | - C54 H44 Br2 Cu2 N2 P2 - | - C54 H44 Br2 Cu2 N2 P2 - | - C216 H176 Br8 Cu8 N8 P8 - | 4 | 0.5 | FR1096 | Jin, Qiong-Hua; Long, De-Liang; Wang, Yu-Xian; Xin, Xin-Quan | Di-μ-bromo-1:2κ^4^<i>Br</i>-bis(quinoline)-1κ<i>N</i>,2κ<i>N</i>-bis(triphenylphosphine)-1κ<i>P</i>,2κ<i>P</i>-dicopper(I) | Acta Crystallographica Section C | 1,998 | 54 | 7 | 948 | 949 | 10.1107/S0108270198000997 | 0.71073 | MoKα | null | 0.036 | null | null | 0.072 | null | null | null | null | 1.051 | 1.051 | null | null | null | has coordinates | Jin, Qiong-Hua; Long, De-Liang; Wang, Yu-Xian; Xin, Xin-Quan
Di-μ-bromo-1:2κ^4^<i>Br</i>-bis(quinoline)-1κ<i>N</i>,2κ<i>N</i>-bis(triphenylphosphine)-1κ<i>P</i>,2κ<i>P</i>-dicopper(I)
Acta Crystallographica Section C
54(7)
(1998)
948-949 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/74/2007432.cif $
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2,007,433 | 7.863 | 0.003 | 8.171 | 0.002 | 13.415 | 0.003 | 78.11 | 0.02 | 74.4 | 0.03 | 85.12 | 0.03 | 811.9 | 0.4 | 294 | null | 294 | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C26 H34 Mo2 O8 Si2 - | - C26 H34 Mo2 O8 Si2 - | - C26 H34 Mo2 O8 Si2 - | 1 | 0.5 | FR1100 | Katharine J. Covert; Jonathan L. Male; David R. Tyler; Timothy J. R. Weakley | Hexacarbonyl-1κ^3^<i>C</i>,2κ^3^<i>C</i>-bis{1,2(η^5^)-1-[2-(trimethylsiloxy)ethyl]cyclopentadienyl}dimolybdenum(<i>Mo</i>—<i>Mo</i>) | Acta Crystallographica Section C | 1,998 | 54 | 7 | 943 | 945 | 10.1107/S0108270198000742 | 0.71073 | MoKα | null | 0.031 | null | null | 0.033 | null | null | null | null | 1.48 | 1.48 | null | null | null | has coordinates | Katharine J. Covert; Jonathan L. Male; David R. Tyler; Timothy J. R. Weakley
Hexacarbonyl-1κ^3^<i>C</i>,2κ^3^<i>C</i>-bis{1,2(η^5^)-1-[2-(trimethylsiloxy)ethyl]cyclopentadienyl}dimolybdenum(<i>Mo</i>—<i>Mo</i>)
Acta Crystallographica Section C
54(7)
(1998)
943-945 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/74/2007433.cif $
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2,230,011 | 10.1463 | 0.0002 | 10.5595 | 0.0002 | 11.5775 | 0.0002 | 96.868 | 0.001 | 109.638 | 0.001 | 110.833 | 0.001 | 1,050.83 | 0.04 | 100 | 1 | 100 | 1 | null | null | null | null | 5 | P -1 | -P 1 | 2 | Ethyl 1-[2-(morpholin-4-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]-1<i>H</i>- benzimidazole-5-carboxylate | - C23 H24 F3 N3 O3 - | - C23 H24 F3 N3 O3 - | - C46 H48 F6 N6 O6 - | 2 | 1 | HB5849 | Yoon, Yeong Keng; Ali, Mohamed Ashraf; Choon, Tan Soo; Hemamalini, Madhukar; Fun, Hoong-Kun | Ethyl 1-[2-(morpholin-4-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]-1<i>H</i>-benzimidazole-5-carboxylate | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1215 | 10.1107/S1600536811014619 | 0.71073 | MoKα | 0.045 | 0.0382 | null | null | 0.1002 | 0.1055 | null | null | null | null | null | 1.029 | null | null | has coordinates,has Fobs | Yoon, Yeong Keng; Ali, Mohamed Ashraf; Choon, Tan Soo; Hemamalini, Madhukar; Fun, Hoong-Kun
Ethyl 1-[2-(morpholin-4-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]-1<i>H</i>-benzimidazole-5-carboxylate
Acta Crystallographica Section E
67(5)
(2011)
o1215 | 301,806 | 2025-08-19 | 15:27:02 | #------------------------------------------------------------------------------
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2,007,434 | 4.615 | 0.001 | 7.519 | 0.001 | 24.97 | 0.001 | 90 | null | 90.65 | 0.02 | 90 | null | 866.3 | 0.3 | 296 | null | 296 | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | 8-aminocaprylic acid | - C8 H17 N O2 - | - C8 H17 N O2 - | - C32 H68 N4 O8 - | 4 | 1 | Dobson, Allison J.; Gerkin, Roger E. | 8-Aminocaprylic Acid | Acta Crystallographica Section C | 1,998 | 54 | 7 | 969 | 972 | 10.1107/S0108270198001309 | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Dobson, Allison J.; Gerkin, Roger E.
8-Aminocaprylic Acid
Acta Crystallographica Section C
54(7)
(1998)
969-972 | 176,428 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,007,435 | 17.964 | 0.002 | 8.716 | 0.001 | 8.172 | 0.001 | 90 | null | 90 | null | 90 | null | 1,279.5 | 0.3 | 296 | null | 296 | null | null | null | null | null | 4 | P b c a | -P 2ac 2ab | 61 | DL-3-aminoisobutyric acid monohydrate | - C4 H11 N O3 - | - C4 H11 N O3 - | - C32 H88 N8 O24 - | 8 | 1 | FR1106 | Dobson, Allison J.; Gerkin, Roger E. | <small>DL</small>-3-Aminoisobutyric Acid Monohydrate | Acta Crystallographica Section C | 1,998 | 54 | 7 | 972 | 974 | 10.1107/S0108270198001310 | 0.71073 | MoKα | null | 0.04 | null | null | null | 0.056 | null | null | null | null | null | 1.87 | null | null | has coordinates | Dobson, Allison J.; Gerkin, Roger E.
<small>DL</small>-3-Aminoisobutyric Acid Monohydrate
Acta Crystallographica Section C
54(7)
(1998)
972-974 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,007,436 | 3.7582 | 0.0004 | 14.5505 | 0.0015 | 6.2451 | 0.0006 | 90 | null | 101.162 | 0.008 | 90 | null | 335.05 | 0.06 | 293 | null | 293 | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | 2,5-diamino-dichloropyrazine | - C4 H4 Cl2 N4 - | - C4 H4 Cl2 N4 - | - C8 H8 Cl4 N8 - | 2 | 0.5 | FR1107 | Barclay, Tosha M.; Cordes, A. Wallace; Oakley, Richard T.; Preuss, Kathryn E.; Zhang, Hongzhou | 2,5-Diamino-3,6-dichloropyrazine | Acta Crystallographica Section C | 1,998 | 54 | 7 | 1018 | 1019 | 10.1107/S0108270198001152 | 0.7107 | MolybdenumKα | 0.033 | 0.033 | null | 0.063 | 0.063 | null | null | null | null | 1.08 | 1.08 | null | null | null | has coordinates,has Fobs | Barclay, Tosha M.; Cordes, A. Wallace; Oakley, Richard T.; Preuss, Kathryn E.; Zhang, Hongzhou
2,5-Diamino-3,6-dichloropyrazine
Acta Crystallographica Section C
54(7)
(1998)
1018-1019 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,007,437 | 9.542 | 0.005 | 10.327 | 0.006 | 11.857 | 0.009 | 114.41 | 0.05 | 90.7 | 0.05 | 96.61 | 0.05 | 1,054.6 | 1.2 | 296 | 1 | 296 | 1 | null | null | null | null | 4 | P -1 | -P 1 | 2 | 4-Benzoyl-6-(4-methoxybenzylidene)-3-phenyl-2-oxa-3-azabicyclo[3.3.0]oct-7-ene | - C27 H23 N O3 - | - C27 H23 N O3 - | - C54 H46 N2 O6 - | 2 | 1 | GS1001 | Kubicki, Marek M.; Blacque, Olivier; Djapa, Francis; Ciamala, Kabula; Vebrel, Joël | 4-Benzoyl-6-(4-methoxybenzylidene)-3-phenyl-2-oxa-3-azabicyclo[3.3.0]oct-7-ene | Acta Crystallographica Section C | 1,998 | 54 | 7 | 1027 | 1028 | 10.1107/S0108270198001930 | 0.71073 | MoKα | 0.165 | 0.048 | null | null | null | 0.125 | null | null | null | null | null | 0.994 | null | null | has coordinates | Kubicki, Marek M.; Blacque, Olivier; Djapa, Francis; Ciamala, Kabula; Vebrel, Joël
4-Benzoyl-6-(4-methoxybenzylidene)-3-phenyl-2-oxa-3-azabicyclo[3.3.0]oct-7-ene
Acta Crystallographica Section C
54(7)
(1998)
1027-1028 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,007,438 | 7.3367 | 0.0007 | 7.7985 | 0.0008 | 8.396 | 0.0009 | 69.989 | 0.001 | 64.152 | 0.001 | 89.997 | 0.002 | 399.85 | 0.07 | 157 | null | 157 | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | 3,4-Dimethylpyridinehydrobromide | - C7 H10 Br N - | - C7 H10 Br N - | - C14 H20 Br2 N2 - | 2 | 1 | HA1209 | Bolte, Michael; Kettner, Markus | The Twinned Crystal Structure of 3,4-Dimethylpyridine Hydrobromide at 157K | Acta Crystallographica Section C | 1,998 | 54 | 7 | 963 | 964 | 10.1107/S0108270198001164 | 0.71073 | MoKα | 0.0718 | 0.0617 | null | 0.1324 | 0.1274 | 0.1324 | null | null | 1.08 | null | null | 1.08 | null | null | has coordinates,has Fobs | Bolte, Michael; Kettner, Markus
The Twinned Crystal Structure of 3,4-Dimethylpyridine Hydrobromide at 157K
Acta Crystallographica Section C
54(7)
(1998)
963-964 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,230,010 | 12.9151 | 0.0004 | 6.0438 | 0.0003 | 21.2851 | 0.0007 | 90 | null | 92.147 | 0.003 | 90 | null | 1,660.27 | 0.11 | 294 | 2 | 294 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | 2,4-Bis(4-fluorophenyl)-2,3-dihydro-1<i>H</i>-1,5-benzodiazepine | - C21 H16 F2 N2 - | - C21 H16 F2 N2 - | - C84 H64 F8 N8 - | 4 | 1 | HB5848 | Baktır, Zeliha; Akkurt, Mehmet; Samshuddin, S.; Narayana, B.; Yathirajan, H. S. | 2,4-Bis(4-fluorophenyl)-2,3-dihydro-1<i>H</i>-1,5-benzodiazepine | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1262 | o1263 | 10.1107/S1600536811015455 | 0.71073 | MoKα | 0.1805 | 0.0607 | null | null | 0.0897 | 0.1514 | null | null | null | null | null | 1.044 | null | null | has coordinates,has Fobs | Baktır, Zeliha; Akkurt, Mehmet; Samshuddin, S.; Narayana, B.; Yathirajan, H. S.
2,4-Bis(4-fluorophenyl)-2,3-dihydro-1<i>H</i>-1,5-benzodiazepine
Acta Crystallographica Section E
67(5)
(2011)
o1262-o1263 | 301,806 | 2025-08-19 | 15:27:02 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $
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2,007,439 | 4.741 | 0.0009 | 15.293 | 0.005 | 19.61 | 0.005 | 90 | null | 90 | null | 90 | null | 1,421.8 | 0.6 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 21 21 21 | P 2ac 2ab | 19 | - C17 H11 Cl2 N O - | - C17 H11 Cl2 N O - | - C68 H44 Cl8 N4 O4 - | 4 | 1 | HA1210 | Elmali, Ayhan; Elerman, Yalc̨in; Svoboda, Ingrid; Fuess, Hartmut | <i>N</i>-(3,5-Dichlorophenyl)naphthaldimine | Acta Crystallographica Section C | 1,998 | 54 | 7 | 974 | 976 | 10.1107/S0108270198001176 | 0.71093 | MoKα | 0.0496 | 0.0358 | null | 0.1034 | 0.0954 | null | null | null | 1.077 | 1.084 | 1.084 | null | null | null | has coordinates | Elmali, Ayhan; Elerman, Yalc̨in; Svoboda, Ingrid; Fuess, Hartmut
<i>N</i>-(3,5-Dichlorophenyl)naphthaldimine
Acta Crystallographica Section C
54(7)
(1998)
974-976 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,007,440 | 9.9807 | 0.0007 | 7.5585 | 0.0006 | 17.0244 | 0.0012 | 90 | null | 90.196 | 0.007 | 90 | null | 1,284.3 | 0.16 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | 2-anilinyl-4-toluenesulfonate | - C13 H13 N O3 S - | - C13 H13 N O3 S - | - C52 H52 N4 O12 S4 - | 4 | 1 | HA1211 | Shyamaprosad Goswami; Ajit Kumar Mahapatra; Gur Dayal Nigam; Kandasamy Chinnakali; Ibrahim Abdul Razak; Hoong-Kun Fun | <i>m</i>-(<i>p</i>-Tolylsulfonyloxy)aniline | Acta Crystallographica Section C | 1,998 | 54 | 7 | 954 | 955 | 10.1107/S0108270198001425 | 0.71073 | MoKα | 0.067 | 0.039 | null | 0.107 | 0.097 | null | null | null | 0.901 | 1.056 | 1.056 | null | null | null | has coordinates | Shyamaprosad Goswami; Ajit Kumar Mahapatra; Gur Dayal Nigam; Kandasamy Chinnakali; Ibrahim Abdul Razak; Hoong-Kun Fun
<i>m</i>-(<i>p</i>-Tolylsulfonyloxy)aniline
Acta Crystallographica Section C
54(7)
(1998)
954-955 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
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2,007,441 | 10.7523 | 0.0006 | 11.0208 | 0.0007 | 14.0493 | 0.0009 | 90 | null | 90 | null | 90 | null | 1,664.83 | 0.18 | 293 | 2 | null | null | null | null | null | null | 5 | P 21 21 21 | P 2ac 2ab | 19 | (1R,3S)-1-Trichloromethyl-1,2,3,4-tetrahydro-β-carboline-3-carboxamide methanol solvate | - C14 H16 Cl3 N3 O2 - | - C14 H16 Cl3 N3 O2 - | - C56 H64 Cl12 N12 O8 - | 4 | 1 | JZ1190 | Peters, Karl; Peters, Eva-Maria; Blank, Michael; Protzen, Jens-Achim; Feineis, Doris; God, Ralf; Bringmann, Gerhard | Endogenous Alkaloids in Man. 28. (1<i>R</i>,3<i>S</i>)-1-Trichloromethyl-1,2,3,4-tetrahydro-β-carboline-3-carboxamide Methanol Solvate, a Potential Synthetic Precursor to Enantiomerically Pure TaClo | Acta Crystallographica Section C | 1,998 | 54 | 7 | 1005 | 1007 | 10.1107/S0108270198001437 | 0.71073 | MoKα | null | 0.045 | null | null | null | 0.115 | null | null | null | null | null | 1.058 | null | null | has coordinates | Peters, Karl; Peters, Eva-Maria; Blank, Michael; Protzen, Jens-Achim; Feineis, Doris; God, Ralf; Bringmann, Gerhard
Endogenous Alkaloids in Man. 28. (1<i>R</i>,3<i>S</i>)-1-Trichloromethyl-1,2,3,4-tetrahydro-β-carboline-3-carboxamide Methanol Solvate, a Potential Synthetic Precursor to Enantiomerically Pure TaClo
Acta ... | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
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2,007,442 | 10.108 | 0.002 | 10.925 | 0.002 | 13.061 | 0.006 | 100.05 | 0.02 | 107.65 | 0.03 | 90.24 | 0.02 | 1,350.8 | 0.7 | 293 | null | 293 | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C17 H35 Ga2 N2 O18.5 - | - C17 H32 Ga2 N2 O18.5 - | - C34 H64 Ga4 N4 O37 - | 2 | 1 | Jarjayes, Olivier; Du Moulinet D'Hardemare, Amaury; Durif, André; Averbuch-Pouchot, Marie-Thérèse | A Phenoxo-Bridged Digallium(III) Complex with a Ligand Derived from 2,6-Bis{[N,N'-bis(carboxymethyl)amino]methyl}-4-methylphenol | Acta Crystallographica Section C | 1,998 | 54 | 931 | 933 | null | null | 0.035 | null | null | 0.053 | null | null | null | null | null | null | null | 2,000,100 | null | has coordinates | Jarjayes, Olivier; Du Moulinet D'Hardemare, Amaury; Durif, André; Averbuch-Pouchot, Marie-Thérèse
A Phenoxo-Bridged Digallium(III) Complex with a Ligand Derived from 2,6-Bis{[N,N'-bis(carboxymethyl)amino]methyl}-4-methylphenol
Acta Crystallographica Section C
54
(1998)
931-933 | 287,519 | 2023-11-10 | 19:29:21 | #------------------------------------------------------------------------------
#$Date: 2023-11-10 21:21:08 +0200 (Fri, 10 Nov 2023) $
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2,230,009 | 12.699 | 0.0018 | 8.8022 | 0.0013 | 13.172 | 0.002 | 90 | null | 105.565 | 0.002 | 90 | null | 1,418.4 | 0.4 | 296 | 2 | 296 | 2 | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | (2<i>E</i>)-1-(2-Hydroxy-5-methylphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one | - C17 H16 O3 - | - C17 H16 O3 - | - C68 H64 O12 - | 4 | 1 | HB5847 | Fun, Hoong-Kun; Arshad, Suhana; Sarojini, B. K.; Khaleel, V. Musthafa; Narayana, B. | (2<i>E</i>)-1-(2-Hydroxy-5-methylphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1248 | o1249 | 10.1107/S1600536811015054 | 0.71073 | MoKα | 0.0824 | 0.0472 | null | null | 0.1128 | 0.1314 | null | null | null | null | null | 1.019 | null | null | has coordinates,has Fobs | Fun, Hoong-Kun; Arshad, Suhana; Sarojini, B. K.; Khaleel, V. Musthafa; Narayana, B.
(2<i>E</i>)-1-(2-Hydroxy-5-methylphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
Acta Crystallographica Section E
67(5)
(2011)
o1248-o1249 | 301,806 | 2025-08-19 | 15:27:02 | #------------------------------------------------------------------------------
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2,007,443 | 5.838 | 0.001 | 7.231 | 0.001 | 20.548 | 0.001 | 90 | null | 90 | null | 90 | null | 867.4 | 0.2 | 223 | 2 | 223 | 2 | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | 19 | 9-Methyl-8,11,12-trioxatricyclo[7.2.1.0^2,7^]dodeca-2,4,6-trien-10-one | - C10 H8 O4 - | - C10 H8 O4 - | - C40 H32 O16 - | 4 | 1 | JZ1270 | Eilers, Frank; Bach, Thorsten; Fröhlich, Roland | 9-Methyl-8,11,12-trioxatricyclo[7.2.1.0^2,7^]dodeca-2,4,6-trien-10-one | Acta Crystallographica Section C | 1,998 | 54 | 7 | 1011 | 1013 | 10.1107/S0108270198001528 | 1.54178 | CuKα | 0.031 | 0.031 | null | 0.09 | 0.09 | null | null | null | 1.132 | 1.139 | 1.139 | null | null | null | has coordinates | Eilers, Frank; Bach, Thorsten; Fröhlich, Roland
9-Methyl-8,11,12-trioxatricyclo[7.2.1.0^2,7^]dodeca-2,4,6-trien-10-one
Acta Crystallographica Section C
54(7)
(1998)
1011-1013 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,007,444 | 9.4468 | 0.0009 | 10.7321 | 0.0008 | 10.9452 | 0.0009 | 91.601 | 0.008 | 93.036 | 0.009 | 92.609 | 0.009 | 1,106.45 | 0.16 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | Bis(3,5-dimethylpyrazole-N)(N-salicylidene-α-amino-2-methylpropanoato-O,N,O')- copper(II) | - C21 H27 Cu N5 O3 - | - C21 H27 Cu N5 O3 - | - C42 H54 Cu2 N10 O6 - | 2 | 1 | JZ1275 | Warda, Salam A. | Bis(3,5-dimethylpyrazole-<i>N</i>^2^)(2,2-dimethyl-<i>N</i>-salicylideneglycinato-<i>O</i>,<i>N</i>,<i>O</i>')copper(II) | Acta Crystallographica Section C | 1,998 | 54 | 7 | 916 | 918 | 10.1107/S0108270198001942 | 0.71073 | MoKα | 0.064 | 0.034 | null | null | null | 0.059 | null | null | null | null | null | 0.995 | null | null | has coordinates | Warda, Salam A.
Bis(3,5-dimethylpyrazole-<i>N</i>^2^)(2,2-dimethyl-<i>N</i>-salicylideneglycinato-<i>O</i>,<i>N</i>,<i>O</i>')copper(II)
Acta Crystallographica Section C
54(7)
(1998)
916-918 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
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2,007,445 | 12.533 | 0.003 | 12.649 | 0.003 | 25.319 | 0.005 | 84.79 | 0.03 | 80.74 | 0.03 | 83.84 | 0.03 | 3,927.6 | 1.6 | 150 | 2 | 150 | 2 | null | null | null | null | 3 | P -1 | -P 1 | 2 | Tetraundecylpentacyclooctacosadodecaeneoctol | 2,8,14,20-Tetraundecylpentacyclo[19.3.1.1^3,7^.1^9,13^.1^15,19^] octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene -4,6,10,12,16,18,22,24-octol | - C80 H136 O12 - | - C80 H136 O12 - | - C160 H272 O24 - | 2 | 1 | KA1222 | Hibbs, David E.; Hursthouse, Michael B.; Malik, K. M. Abdul; Adams, Harry; Stirling, Charles J. M.; Davis, Frank | Tetraundecylpentacyclooctacosadodecaenoctol Tetraethanol Solvate, (I), and Tetraundecylpentacyclooctacosadodecaenedodecol Hydrate 2.5-Ethanol Solvate, (II) | Acta Crystallographica Section C | 1,998 | 54 | 7 | 987 | 992 | 10.1107/S0108270197019689 | 0.71069 | MoKα | 0.144 | 0.074 | null | 0.196 | 0.175 | null | null | null | 0.783 | 1.157 | 1.157 | null | null | null | has coordinates | Hibbs, David E.; Hursthouse, Michael B.; Malik, K. M. Abdul; Adams, Harry; Stirling, Charles J. M.; Davis, Frank
Tetraundecylpentacyclooctacosadodecaenoctol Tetraethanol Solvate, (I), and Tetraundecylpentacyclooctacosadodecaenedodecol Hydrate 2.5-Ethanol Solvate, (II)
Acta Crystallographica Section C
54(7)
(1998)
987-9... | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
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2,230,008 | 7.9406 | 0.0004 | 21.2839 | 0.001 | 9.5967 | 0.0004 | 90 | null | 94.379 | 0.004 | 90 | null | 1,617.17 | 0.13 | 295 | 2 | 295 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | 1-(3,5-Dinitrobenzoyl)-3,3-dipropylthiourea | - C14 H18 N4 O5 S - | - C14 H18 N4 O5 S - | - C56 H72 N16 O20 S4 - | 4 | 1 | HB5845 | Saeed, Sohail; Rashid, Naghmana; Sher, Muhammad; Ng, Seik Weng; Tiekink, Edward R. T. | 1-(3,5-Dinitrobenzoyl)-3,3-dipropylthiourea | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1162 | 10.1107/S1600536811013638 | 0.71073 | MoKα | 0.0697 | 0.0548 | null | null | 0.1398 | 0.1536 | null | null | null | null | null | 1.022 | null | null | has coordinates,has Fobs | Saeed, Sohail; Rashid, Naghmana; Sher, Muhammad; Ng, Seik Weng; Tiekink, Edward R. T.
1-(3,5-Dinitrobenzoyl)-3,3-dipropylthiourea
Acta Crystallographica Section E
67(5)
(2011)
o1162 | 301,806 | 2025-08-19 | 15:27:02 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301806 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/00/2230008.cif $
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2,007,446 | 11.9971 | 0.0014 | 12.7 | 0.002 | 25.742 | 0.004 | 80.06 | 0.02 | 84.22 | 0.02 | 82.372 | 0.009 | 3,816.9 | 1 | 150 | 2 | 150 | 2 | null | null | null | null | 3 | P -1 | -P 1 | 2 | Tetraundecylpentacyclooctacosadodecaenedodecol | 2,8,14,20-Tetraundecylpentacyclo[19.3.1.1^3,7^.1^9,13^.1^15,19^] octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene- 4,5,6,10,11,12,16,17,18,22,23,24-dodecol | - C77 H129 O15.5 - | - C77 H123 O15.5 - | - C154 H246 O31 - | 2 | 1 | KA1222 | Hibbs, David E.; Hursthouse, Michael B.; Malik, K. M. Abdul; Adams, Harry; Stirling, Charles J. M.; Davis, Frank | Tetraundecylpentacyclooctacosadodecaenoctol Tetraethanol Solvate, (I), and Tetraundecylpentacyclooctacosadodecaenedodecol Hydrate 2.5-Ethanol Solvate, (II) | Acta Crystallographica Section C | 1,998 | 54 | 7 | 987 | 992 | 10.1107/S0108270197019689 | 0.71069 | MoKα | 0.15 | 0.084 | null | 0.241 | 0.223 | null | null | null | 0.882 | 1.339 | 1.339 | null | null | null | has coordinates,has disorder | Hibbs, David E.; Hursthouse, Michael B.; Malik, K. M. Abdul; Adams, Harry; Stirling, Charles J. M.; Davis, Frank
Tetraundecylpentacyclooctacosadodecaenoctol Tetraethanol Solvate, (I), and Tetraundecylpentacyclooctacosadodecaenedodecol Hydrate 2.5-Ethanol Solvate, (II)
Acta Crystallographica Section C
54(7)
(1998)
987-9... | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/74/2007446.cif $
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2,007,447 | 8.387 | 0.001 | 12.511 | 0.002 | 11.806 | 0.003 | 90 | null | 96.11 | 0.02 | 90 | null | 1,231.8 | 0.4 | 298 | null | 298 | null | null | null | null | null | 5 | P 1 21 1 | P 2yb | 4 | dichloro(1,4,7-trithiacyclodecane)platinum | - C7 H14 Cl2 Pt S3 - | - C7.5 H17 Cl2 Pt S3.5 - | - C30 H68 Cl8 Pt4 S14 - | 4 | 2 | KA1253 | Lee, Gene-Hsiang | Platinum Complexes of 1,4,7-Trithiacyclodecane | Acta Crystallographica Section C | 1,998 | 54 | 7 | 906 | 909 | 10.1107/S0108270197014509 | 0.71073 | MoKα | 0.069 | 0.041 | null | 0.042 | 0.041 | null | null | null | null | 1.76 | 1.76 | null | null | null | has coordinates | Lee, Gene-Hsiang
Platinum Complexes of 1,4,7-Trithiacyclodecane
Acta Crystallographica Section C
54(7)
(1998)
906-909 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/74/2007447.cif $
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2,007,448 | 17.998 | 0.004 | 11.627 | 0.002 | 13.69 | 0.003 | 90 | null | 96.75 | 0.02 | 90 | null | 2,844.9 | 1 | 298 | null | 298 | null | null | null | null | null | 6 | C 1 2/c 1 | -C 2yc | 15 | bis(1,4,7,-trithiacyclodecane)platinum dichloride heptahydrate | - C14 H42 Cl2 O7 Pt S6 - | - C14 H44 Cl O6 Oc2 Pt S6 - | - C56 H176 Cl4 O24 Oc8 Pt4 S24 - | 4 | 0.5 | KA1253 | Lee, Gene-Hsiang | Platinum Complexes of 1,4,7-Trithiacyclodecane | Acta Crystallographica Section C | 1,998 | 54 | 7 | 906 | 909 | 10.1107/S0108270197014509 | 0.71073 | MoKα | 0.042 | 0.029 | null | 0.045 | 0.044 | null | null | null | null | 2.49 | 2.49 | null | null | null | has coordinates | Lee, Gene-Hsiang
Platinum Complexes of 1,4,7-Trithiacyclodecane
Acta Crystallographica Section C
54(7)
(1998)
906-909 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/74/2007448.cif $
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2,007,449 | 21.595 | 0.013 | 12.323 | 0.007 | 9.266 | 0.006 | 90 | null | 98.9 | 0.05 | 90 | null | 2,436 | 3 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | C 1 2/c 1 | -C 2yc | 15 | 1-(2-Benzothiazolyl)-3,3,3-trichloro-2-propanol | - C10 H8 Cl3 N O S - | - C10 H8 Cl3 N O S - | - C80 H64 Cl24 N8 O8 S8 - | 8 | 1 | KA1264 | Viktor Vrábel; Július Sivý; Drahomír Oktavec; Alexander Bartovič | 1-(1,3-Benzothiazol-2-yl)-3,3,3-trichloro-2-propanol | Acta Crystallographica Section C | 1,998 | 54 | 7 | 984 | 985 | 10.1107/S0108270198001589 | 0.71069 | MoKα | 0.12 | 0.039 | null | 0.078 | 0.07 | null | null | null | 0.851 | 1.149 | 1.149 | null | null | null | has coordinates | Viktor Vrábel; Július Sivý; Drahomír Oktavec; Alexander Bartovič
1-(1,3-Benzothiazol-2-yl)-3,3,3-trichloro-2-propanol
Acta Crystallographica Section C
54(7)
(1998)
984-985 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,007,450 | 11.834 | 0.002 | 8.841 | 0.002 | 12.889 | 0.002 | 90 | null | 93.41 | 0.02 | 90 | null | 1,346.1 | 0.4 | 158 | 2 | 158 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | Methylphenylammonium hydrogen dipicolinate | Methylphenylammonium hydrogen 2,6-pyridinecarboxylate | - C14 H14 N2 O4 - | - C14 H14 N2 O4 - | - C56 H56 N8 O16 - | 4 | 1 | KA1269 | Ng, Seik Weng; Turnbull, Mark M. | Methylphenylammonium Hydrogen 2,6-Pyridinedicarboxylate at 158K | Acta Crystallographica Section C | 1,998 | 54 | 7 | 1025 | 1027 | 10.1107/S0108270198001590 | 0.71073 | MoKα | 0.103 | 0.042 | null | 0.071 | 0.068 | null | null | null | 0.737 | 0.955 | 0.955 | null | null | null | has coordinates | Ng, Seik Weng; Turnbull, Mark M.
Methylphenylammonium Hydrogen 2,6-Pyridinedicarboxylate at 158K
Acta Crystallographica Section C
54(7)
(1998)
1025-1027 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/74/2007450.cif $
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2,230,007 | 24.3084 | 0.0016 | 7.7235 | 0.0005 | 26.6479 | 0.0018 | 90 | null | 114.292 | 0.001 | 90 | null | 4,560.1 | 0.5 | 100 | 2 | 100 | 2 | null | null | null | null | 3 | C 1 2 1 | C 2y | 5 | 17-Deoxoestrone [estra-1,3,5(10)-trien-3-ol]‒methanol (3/1) | 13-methyl-6,7,8,9,11,12,13,14,15,16- decahydrocyclopenta[<i>a</i>]phenanthren-3-ol‒methanol (3/1) | - C18.33333 H25.33333 O1.33333 - | - C18.3333 H25.3333 O1.33333 - | - C220 H304 O16 - | 12 | 3 | HB5844 | Ketuly, Kamal Aziz; Hadi, A. Hamid A.; Ng, Seik Weng; Tiekink, Edward R. T. | 17-Deoxoestrone [estra-1,3,5(10)-trien-3-ol]‒methanol (3/1) | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1160 | o1161 | 10.1107/S1600536811013651 | 0.71073 | MoKα | 0.0717 | 0.052 | null | null | 0.1282 | 0.141 | null | null | null | null | null | 1.019 | null | null | has coordinates,has disorder,has Fobs | Ketuly, Kamal Aziz; Hadi, A. Hamid A.; Ng, Seik Weng; Tiekink, Edward R. T.
17-Deoxoestrone [estra-1,3,5(10)-trien-3-ol]‒methanol (3/1)
Acta Crystallographica Section E
67(5)
(2011)
o1160-o1161 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/00/2230007.cif $
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2,007,451 | 5.96 | 0.003 | 8.312 | 0.005 | 32.8 | 0.03 | 90 | null | 90 | null | 90 | null | 1,625 | 2 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | N, N'-methylene-bis(5-phenyl-oxazolidine) | - C19 H22 N2 O2 - | - C19 H22 N2 O2 - | - C76 H88 N8 O8 - | 4 | 1 | LN1028 | Lemoine, Pascale; Viossat, Bernard; Martin, Pierre-Guy; Aitken, David J. | <i>N</i>,<i>N</i>'-Methylenebis[(<i>S</i>)-5-phenyloxazolidine] | Acta Crystallographica Section C | 1,998 | 54 | 7 | 1036 | 1038 | 10.1107/S010827019701562X | 0.71069 | MoKα | 0.145 | 0.058 | null | 0.2 | 0.094 | null | null | null | 1.078 | 1.144 | 1.144 | null | null | null | has coordinates | Lemoine, Pascale; Viossat, Bernard; Martin, Pierre-Guy; Aitken, David J.
<i>N</i>,<i>N</i>'-Methylenebis[(<i>S</i>)-5-phenyloxazolidine]
Acta Crystallographica Section C
54(7)
(1998)
1036-1038 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/74/2007451.cif $
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2,007,452 | 10.51 | 0.003 | 10.288 | 0.004 | 10.227 | 0.003 | 90 | null | 117.6 | 0.02 | 90 | null | 980 | 0.6 | 294 | null | null | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C18 H12 N2 O10 S2 - | - C18 H12 N2 O10 S2 - | - C36 H24 N4 O20 S4 - | 2 | 0.5 | LN1048 | Bertault, Marcel; Even, Jacky; Toupet, Loic | Monomeric pNBS: Bis(<i>p</i>-nitrobenzenesulfonate) of 2,4-Hexadiyne | Acta Crystallographica Section C | 1,998 | 54 | 7 | 1028 | 1030 | 10.1107/S0108270198000754 | 0.71073 | MoKα | 0.0998 | 0.034 | null | 0.0954 | 0.077 | null | null | null | 1.001 | 1.066 | 1.066 | null | null | null | has coordinates | Bertault, Marcel; Even, Jacky; Toupet, Loic
Monomeric pNBS: Bis(<i>p</i>-nitrobenzenesulfonate) of 2,4-Hexadiyne
Acta Crystallographica Section C
54(7)
(1998)
1028-1030 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/74/2007452.cif $
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2,007,453 | 11.822 | 0.004 | 14.812 | 0.005 | 22.612 | 0.003 | 73.57 | 0.02 | 75.4 | 0.02 | 67.38 | 0.03 | 3,459.5 | 1.9 | 295 | 2 | 295 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | bis(p-methoxyphenyl)tellurium(IV) diiodide | - C14 H14 I2 O2 Te - | - C14.5 H12.5 I2 O2.5 Te - | - C116 H100 I16 O20 Te8 - | 8 | 4 | MU1363 | Joan Farran; Angel Alvarez-Larena; Mario V. Capparelli; Joan F. Piniella; Gabriel Germain; Libardo Torres-Castellanos | Two Polymorphs of Bis(4-methoxyphenyl)tellurium(IV) Diiodide | Acta Crystallographica Section C | 1,998 | 54 | 7 | 995 | 1000 | 10.1107/S0108270197016387 | 0.71069 | MoKα | 0.049 | 0.0365 | null | 0.0942 | 0.0919 | null | null | null | 1.066 | 1.172 | 1.172 | null | null | null | has coordinates,has disorder | Joan Farran; Angel Alvarez-Larena; Mario V. Capparelli; Joan F. Piniella; Gabriel Germain; Libardo Torres-Castellanos
Two Polymorphs of Bis(4-methoxyphenyl)tellurium(IV) Diiodide
Acta Crystallographica Section C
54(7)
(1998)
995-1000 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/74/2007453.cif $
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2,007,454 | 10.334 | 0.001 | 13.091 | 0.001 | 14.588 | 0.001 | 110.237 | 0.007 | 100.875 | 0.006 | 100.272 | 0.008 | 1,753.7 | 0.3 | 295 | 2 | 295 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | bis(p-methoxyphenyl)tellurium(IV) diiodide | - C14 H14 I2 O2 Te - | - C14 H14 I2 O2 Te - | - C56 H56 I8 O8 Te4 - | 4 | 2 | MU1363 | Joan Farran; Angel Alvarez-Larena; Mario V. Capparelli; Joan F. Piniella; Gabriel Germain; Libardo Torres-Castellanos | Two Polymorphs of Bis(4-methoxyphenyl)tellurium(IV) Diiodide | Acta Crystallographica Section C | 1,998 | 54 | 7 | 995 | 1000 | 10.1107/S0108270197016387 | 0.71069 | MoKα | 0.049 | 0.0277 | null | 0.0725 | 0.0706 | null | null | null | 1.013 | 1.198 | 1.198 | null | null | null | has coordinates | Joan Farran; Angel Alvarez-Larena; Mario V. Capparelli; Joan F. Piniella; Gabriel Germain; Libardo Torres-Castellanos
Two Polymorphs of Bis(4-methoxyphenyl)tellurium(IV) Diiodide
Acta Crystallographica Section C
54(7)
(1998)
995-1000 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/74/2007454.cif $
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2,007,455 | 7.049 | 0.002 | 7.492 | 0.004 | 15.077 | 0.006 | 91.57 | 0.04 | 92.83 | 0.03 | 99.74 | 0.03 | 783.3 | 0.6 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | 2'-[1-(4-Fluorophenyl)ethyl]isonicotino-κN-hydrazide–Cyanoborane | - C15 H16 B F N4 O - | - C15 H16 B F N4 O - | - C30 H32 B2 F2 N8 O2 - | 2 | 1 | NA1320 | Bruno, Giuseppe; Maccari, Rosanna; Nicoló, Francesco; Ottaná, Rosaria; Panzalorto, Manuela; Scopelliti, Rosario; Vigorita, Maria Gabriella | 2'-[1-(4-Fluorophenyl)ethyl]isonicotino-κ<i>N</i>-hydrazide–Cyanoborane | Acta Crystallographica Section C | 1,998 | 54 | 7 | 1038 | 1040 | 10.1107/S0108270198001681 | 0.71073 | MoKα | 0.152 | 0.063 | null | 0.187 | 0.152 | null | null | null | 0.82 | 1.193 | 1.193 | null | null | null | has coordinates,has disorder | Bruno, Giuseppe; Maccari, Rosanna; Nicoló, Francesco; Ottaná, Rosaria; Panzalorto, Manuela; Scopelliti, Rosario; Vigorita, Maria Gabriella
2'-[1-(4-Fluorophenyl)ethyl]isonicotino-κ<i>N</i>-hydrazide–Cyanoborane
Acta Crystallographica Section C
54(7)
(1998)
1038-1040 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/74/2007455.cif $
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2,230,006 | 14.96 | 0.003 | 15.237 | 0.003 | 12.139 | 0.002 | 90 | null | 103.94 | 0.03 | 90 | null | 2,685.5 | 0.9 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | <i>catena</i>-Poly[[dinitratocopper(II)]-μ-4,4''-bis(1<i>H</i>- benzimidazol-1-yl)-1,1':4',1''-terphenyl] | - C32 H22 Cu N6 O6 - | - C32 H22 Cu N6 O6 - | - C128 H88 Cu4 N24 O24 - | 4 | 0.5 | HB5843 | Jiang, Hong-Shi; Li, Hui; Wang, Jian; Ma, Hui-Xuan; Zhang, Zhe | <i>catena</i>-Poly[[dinitratocopper(II)]-μ-4,4''-bis(1<i>H</i>-benzimidazol-1-yl)-1,1':4',1''-terphenyl] | Acta Crystallographica Section E | 2,011 | 67 | 5 | m603 | 10.1107/S1600536811013596 | 0.71073 | MoKα | 0.047 | 0.0436 | null | null | 0.1212 | 0.1238 | null | null | null | null | null | 1.09 | null | null | has coordinates,has Fobs | Jiang, Hong-Shi; Li, Hui; Wang, Jian; Ma, Hui-Xuan; Zhang, Zhe
<i>catena</i>-Poly[[dinitratocopper(II)]-μ-4,4''-bis(1<i>H</i>-benzimidazol-1-yl)-1,1':4',1''-terphenyl]
Acta Crystallographica Section E
67(5)
(2011)
m603 | 176,798 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-21 02:03:34 +0200 (Sun, 21 Feb 2016) $
#$Revision: 176798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/00/2230006.cif $
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2,007,456 | 13.24 | 0.005 | 13.24 | 0.005 | 7.157 | 0.005 | 90 | 0.005 | 90 | 0.005 | 120 | 0.005 | 1,086.5 | 1 | 173 | 2 | 173 | 2 | null | null | null | null | 4 | P 32 | P 32 | 145 | (3R,4S)-N-Benzyl-4,5-dihydroxy-3-(hydroxyamino)-4,5-O-isopropylidene-1-pentyne | - C15 H19 N O3 - | - C15 H19 N O3 - | - C45 H57 N3 O9 - | 3 | 1 | NA1331 | Merino, Pedro; Merchan, Francisco L.; Tejero, Tomas; Franco, Santiago | Structures of Chiral Hydroxylamines. VI. (3<i>R</i>,4<i>S</i>)-<i>N</i>-Benzyl-4,5-dihydroxy-3-(hydroxyamino)-4,5-<i>O</i>-isopropylidene-1-pentyne | Acta Crystallographica Section C | 1,998 | 54 | 7 | 1003 | 1004 | 10.1107/S010827019800153X | 0.71069 | MoKα | 0.05 | 0.041 | null | 0.108 | null | 0.102 | null | null | 1.062 | null | null | 1.093 | null | null | has coordinates | Merino, Pedro; Merchan, Francisco L.; Tejero, Tomas; Franco, Santiago
Structures of Chiral Hydroxylamines. VI. (3<i>R</i>,4<i>S</i>)-<i>N</i>-Benzyl-4,5-dihydroxy-3-(hydroxyamino)-4,5-<i>O</i>-isopropylidene-1-pentyne
Acta Crystallographica Section C
54(7)
(1998)
1003-1004 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/74/2007456.cif $
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2,007,457 | 17.435 | 0.001 | 10.926 | 0.001 | 9.089 | 0.002 | 90 | null | 93.01 | 0.01 | 90 | null | 1,729 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | 4,6-Dimethyl-2-(4-phenylpiperazin-1-ylmethyl)isothiazolo[5,4-b]pyridin-3-(2H)- one | - C19 H22 N4 O S - | - C19 H22 N4 O S - | - C76 H88 N16 O4 S4 - | 4 | 1 | NA1333 | Karczmarzyk, Zbigniew; Malinka, Wiesław | 4,6-Dimethyl-2-(4-phenylpiperazin-1-ylmethyl)isothiazolo[5,4-<i>b</i>]pyridin-3(2<i>H</i>)-one | Acta Crystallographica Section C | 1,998 | 54 | 7 | 992 | 994 | 10.1107/S0108270198001474 | 1.54178 | CuKα | 0.057 | 0.041 | null | 0.129 | 0.119 | null | null | null | 1.085 | 1.148 | 1.148 | null | null | null | has coordinates | Karczmarzyk, Zbigniew; Malinka, Wiesław
4,6-Dimethyl-2-(4-phenylpiperazin-1-ylmethyl)isothiazolo[5,4-<i>b</i>]pyridin-3(2<i>H</i>)-one
Acta Crystallographica Section C
54(7)
(1998)
992-994 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/74/2007457.cif $
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2,007,458 | 8.664 | 0.001 | 10.64 | 0.002 | 8.822 | 0.001 | 90 | null | 108.38 | 0.01 | 90 | null | 771.8 | 0.2 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 1 21 1 | P 2yb | 4 | cis,anti-7-phenyl-7a,8,9,10a-tetrahydro-6H,7H-furo[3',2':5,6]pyrano[3,2-c][1] benzopyran-6-one | - C20 H16 O4 - | - C20 H16 O4 - | - C40 H32 O8 - | 2 | 1 | NA1342 | Casalone, Gianluigi; Pilati, Tullio; Binello, Arianna | Five 3,4-Dihydro-2<i>H</i>,5<i>H</i>-pyrano[3,2-<i>c</i>][1]benzopyran-5-one Derivatives | Acta Crystallographica Section C | 1,998 | 54 | 7 | 1042 | 1047 | 10.1107/S0108270198000249 | 0.71073 | MoKα | 0.074 | 0.041 | null | 0.088 | 0.074 | null | null | null | 1.114 | 1.15 | 1.15 | null | null | null | has coordinates | Casalone, Gianluigi; Pilati, Tullio; Binello, Arianna
Five 3,4-Dihydro-2<i>H</i>,5<i>H</i>-pyrano[3,2-<i>c</i>][1]benzopyran-5-one Derivatives
Acta Crystallographica Section C
54(7)
(1998)
1042-1047 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/74/2007458.cif $
#-------------------------------------------------------------------... | ||||||||||
2,007,459 | 11.987 | 0.002 | 10.028 | 0.002 | 13.413 | 0.002 | 90 | null | 107.551 | 0.008 | 90 | null | 1,537.3 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | cis-3,4-dihydro-2-ethoxy-4-[2-furyl]-2H,5H-pyrano[3,2-c][1]benzopyran-5-one | - C18 H16 O5 - | - C18 H16 O5 - | - C72 H64 O20 - | 4 | 1 | NA1342 | Casalone, Gianluigi; Pilati, Tullio; Binello, Arianna | Five 3,4-Dihydro-2<i>H</i>,5<i>H</i>-pyrano[3,2-<i>c</i>][1]benzopyran-5-one Derivatives | Acta Crystallographica Section C | 1,998 | 54 | 7 | 1042 | 1047 | 10.1107/S0108270198000249 | 0.71073 | MoKα | 0.057 | 0.036 | null | 0.101 | 0.094 | null | null | null | 0.962 | 1.103 | 1.103 | null | null | null | has coordinates | Casalone, Gianluigi; Pilati, Tullio; Binello, Arianna
Five 3,4-Dihydro-2<i>H</i>,5<i>H</i>-pyrano[3,2-<i>c</i>][1]benzopyran-5-one Derivatives
Acta Crystallographica Section C
54(7)
(1998)
1042-1047 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/74/2007459.cif $
#-------------------------------------------------------------------... | ||||||||||
2,007,460 | 11.682 | 0.001 | 11.101 | 0.001 | 12.61 | 0.001 | 90 | null | 93.66 | 0.01 | 90 | null | 1,632 | 0.2 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | cis-3,4-dihydro-2-ethoxy-4-phenyl-2H,5H-pyrano[3,2-c][1]benzopyran-5-one | - C20 H18 O4 - | - C20 H18 O4 - | - C80 H72 O16 - | 4 | 1 | NA1342 | Casalone, Gianluigi; Pilati, Tullio; Binello, Arianna | Five 3,4-Dihydro-2<i>H</i>,5<i>H</i>-pyrano[3,2-<i>c</i>][1]benzopyran-5-one Derivatives | Acta Crystallographica Section C | 1,998 | 54 | 7 | 1042 | 1047 | 10.1107/S0108270198000249 | 0.71073 | MoKα | 0.069 | 0.037 | null | 0.096 | 0.087 | null | null | null | 0.922 | 1.103 | 1.103 | null | null | null | has coordinates | Casalone, Gianluigi; Pilati, Tullio; Binello, Arianna
Five 3,4-Dihydro-2<i>H</i>,5<i>H</i>-pyrano[3,2-<i>c</i>][1]benzopyran-5-one Derivatives
Acta Crystallographica Section C
54(7)
(1998)
1042-1047 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/74/2007460.cif $
#-------------------------------------------------------------------... | ||||||||||
2,230,005 | 17.454 | 0.004 | 6.111 | 0.0012 | 17.179 | 0.003 | 90 | null | 100.32 | 0.03 | 90 | null | 1,802.7 | 0.7 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | (<i>E</i>)-1-{4-[(<i>E</i>)-3-Chlorobenzylideneamino]phenyl}- 3-(3-chlorophenyl)prop-2-en-1-one | - C22 H15 Cl2 N O - | - C22 H15 Cl2 N O - | - C88 H60 Cl8 N4 O4 - | 4 | 1 | HB5842 | Cheng, Jian-Ming; Zheng, Yun-Feng; Peng, Guo-Ping | (<i>E</i>)-1-{4-[(<i>E</i>)-3-Chlorobenzylideneamino]phenyl}-3-(3-chlorophenyl)prop-2-en-1-one | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1217 | 10.1107/S1600536811013778 | 0.71073 | MoKα | 0.0906 | 0.0565 | null | null | 0.1257 | 0.1447 | null | null | null | null | null | 1.064 | null | null | has coordinates,has Fobs | Cheng, Jian-Ming; Zheng, Yun-Feng; Peng, Guo-Ping
(<i>E</i>)-1-{4-[(<i>E</i>)-3-Chlorobenzylideneamino]phenyl}-3-(3-chlorophenyl)prop-2-en-1-one
Acta Crystallographica Section E
67(5)
(2011)
o1217 | 301,806 | 2025-08-19 | 15:27:02 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301806 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/00/2230005.cif $
#-------------------------------------------------------------------... | |||||||||||
2,007,461 | 8.276 | 0.001 | 15.024 | 0.001 | 14.448 | 0.001 | 90 | null | 98.68 | 0.01 | 90 | null | 1,775.9 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | cis-3,4-dihydro-2-ethoxy-4-(2-nitrophenyl)-2H,5H-pyrano[3,2-c][1]benzopyran-5- one | - C20 H17 N O6 - | - C20 H17 N O6 - | - C80 H68 N4 O24 - | 4 | 1 | NA1342 | Casalone, Gianluigi; Pilati, Tullio; Binello, Arianna | Five 3,4-Dihydro-2<i>H</i>,5<i>H</i>-pyrano[3,2-<i>c</i>][1]benzopyran-5-one Derivatives | Acta Crystallographica Section C | 1,998 | 54 | 7 | 1042 | 1047 | 10.1107/S0108270198000249 | 0.71073 | MoKα | 0.067 | 0.033 | null | 0.079 | 0.071 | null | null | null | 0.851 | 1.026 | 1.026 | null | null | null | has coordinates | Casalone, Gianluigi; Pilati, Tullio; Binello, Arianna
Five 3,4-Dihydro-2<i>H</i>,5<i>H</i>-pyrano[3,2-<i>c</i>][1]benzopyran-5-one Derivatives
Acta Crystallographica Section C
54(7)
(1998)
1042-1047 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/74/2007461.cif $
#-------------------------------------------------------------------... | ||||||||||
2,007,462 | 10.392 | 0.001 | 17.192 | 0.001 | 11.193 | 0.001 | 90 | null | 107.394 | 0.006 | 90 | null | 1,908.3 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | 3,4-dihydro-2-ethoxy-4-methoxycarbonyl-4-phenyl-2H,5H-pyrano[3,2-c][1]benzo pyran-5-one | - C22 H20 O6 - | - C22 H20 O6 - | - C88 H80 O24 - | 4 | 1 | NA1342 | Casalone, Gianluigi; Pilati, Tullio; Binello, Arianna | Five 3,4-Dihydro-2<i>H</i>,5<i>H</i>-pyrano[3,2-<i>c</i>][1]benzopyran-5-one Derivatives | Acta Crystallographica Section C | 1,998 | 54 | 7 | 1042 | 1047 | 10.1107/S0108270198000249 | 0.71073 | MoKα | 0.072 | 0.04 | null | 0.1 | 0.088 | null | null | null | 1.014 | 1.123 | 1.123 | null | null | null | has coordinates | Casalone, Gianluigi; Pilati, Tullio; Binello, Arianna
Five 3,4-Dihydro-2<i>H</i>,5<i>H</i>-pyrano[3,2-<i>c</i>][1]benzopyran-5-one Derivatives
Acta Crystallographica Section C
54(7)
(1998)
1042-1047 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/74/2007462.cif $
#-------------------------------------------------------------------... | ||||||||||
2,007,463 | 12.5841 | 0.0008 | 12.5841 | 0.0008 | 18.993 | 0.002 | 90 | null | 90 | null | 120 | null | 2,604.8 | 0.4 | 203 | 2 | 203 | 2 | null | null | null | null | 3 | R -3 :H | -R 3 | 148 | Tris(selenophenyl)methane | - C19 H16 Se3 - | - C19 H16 Se3 - | - C114 H96 Se18 - | 6 | 0.333333 | NA1344 | Schulz Lang, Ernesto; Pradella Ziani, Juliana; Abram, Ulrich | Tris(phenylseleno)methane | Acta Crystallographica Section C | 1,998 | 54 | 7 | 1010 | 1011 | 10.1107/S0108270198001085 | 0.71073 | MoKα | 0.048 | 0.029 | null | null | null | 0.067 | null | null | null | null | null | 1.073 | null | null | has coordinates | Schulz Lang, Ernesto; Pradella Ziani, Juliana; Abram, Ulrich
Tris(phenylseleno)methane
Acta Crystallographica Section C
54(7)
(1998)
1010-1011 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/74/2007463.cif $
#-------------------------------------------------------------------... | ||||||||||
2,007,464 | 23.63 | 0.006 | 10.985 | 0.001 | 9.779 | 0.003 | 90 | null | 91.06 | 0.01 | 90 | null | 2,538 | 1 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 1 21/a 1 | -P 2yab | 14 | Co(DH)~2~(4-^t^Bu-Py)(PhS) | Bis(dimethylglyoximato)(benzenethiolato)(4-tert- butylpyridine)Cobalt(III) | - C23 H32 Co N5 O4 S - | - C23 H32 Co N5 O4 S - | - C92 H128 Co4 N20 O16 S4 - | 4 | 1 | OA1029 | Inouye, Yoshinobu; Kambe, Tohru; Tada, Masaru | (Benzenethiolato-<i>S</i>)(4-<i>tert</i>-butylpyridine-<i>N</i>)bis(dimethylglyoximato-<i>N</i>,<i>N</i>')cobalt(III) and (4-<i>tert</i>-Butylpyridine-<i>N</i>)bis(dimethylglyoximato-<i>N</i>,<i>N</i>')(4-methoxybenzenethiolato-<i>S</i>)cobalt(III) | Acta Crystallographica Section C | 1,998 | 54 | 7 | 945 | 947 | 10.1107/S0108270198001693 | 0.71073 | MoKα | 0.054 | 0.034 | null | 0.09 | 0.084 | null | null | null | 1.076 | 1.1 | 1.1 | null | null | null | has coordinates | Inouye, Yoshinobu; Kambe, Tohru; Tada, Masaru
(Benzenethiolato-<i>S</i>)(4-<i>tert</i>-butylpyridine-<i>N</i>)bis(dimethylglyoximato-<i>N</i>,<i>N</i>')cobalt(III) and (4-<i>tert</i>-Butylpyridine-<i>N</i>)bis(dimethylglyoximato-<i>N</i>,<i>N</i>')(4-methoxybenzenethiolato-<i>S</i>)cobalt(III)
Acta Crystallographica Se... | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/74/2007464.cif $
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2,230,004 | 12.3404 | 0.0007 | 9.0506 | 0.0005 | 14.6534 | 0.0006 | 90 | null | 90.385 | 0.005 | 90 | null | 1,636.57 | 0.15 | 295 | 2 | 295 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | 3-Cyclohexyl-1-(3,5-dinitrobenzoyl)thiourea | - C14 H16 N4 O5 S - | - C14 H16 N4 O5 S - | - C56 H64 N16 O20 S4 - | 4 | 1 | HB5839 | Saeed, Sohail; Rashid, Naghmana; Sher, Muhammad; Ng, Seik Weng; Tiekink, Edward R. T. | 3-Cyclohexyl-1-(3,5-dinitrobenzoyl)thiourea | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1148 | 10.1107/S1600536811013377 | 0.71073 | MoKα | 0.1155 | 0.0614 | null | null | 0.1622 | 0.2106 | null | null | null | null | null | 1.013 | null | null | has coordinates,has disorder,has Fobs | Saeed, Sohail; Rashid, Naghmana; Sher, Muhammad; Ng, Seik Weng; Tiekink, Edward R. T.
3-Cyclohexyl-1-(3,5-dinitrobenzoyl)thiourea
Acta Crystallographica Section E
67(5)
(2011)
o1148 | 301,806 | 2025-08-19 | 15:27:02 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301806 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/00/2230004.cif $
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2,007,465 | 12.898 | 0.001 | 18.482 | 0.002 | 11.412 | 0.001 | 90 | null | 90 | null | 90 | null | 2,720.4 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 21 21 21 | P 2ac 2ab | 19 | Co(DH)~2~(4-^t^Bu-Py)(4-MeO-PhS) | Bis(dimethylglyoximato)(4-methoxybenzenethiolato)(4-tert- butylpyridine)Cobalt(III) | - C24 H34 Co N5 O5 S - | - C24 H34 Co N5 O5 S - | - C96 H136 Co4 N20 O20 S4 - | 4 | 1 | OA1029 | Inouye, Yoshinobu; Kambe, Tohru; Tada, Masaru | (Benzenethiolato-<i>S</i>)(4-<i>tert</i>-butylpyridine-<i>N</i>)bis(dimethylglyoximato-<i>N</i>,<i>N</i>')cobalt(III) and (4-<i>tert</i>-Butylpyridine-<i>N</i>)bis(dimethylglyoximato-<i>N</i>,<i>N</i>')(4-methoxybenzenethiolato-<i>S</i>)cobalt(III) | Acta Crystallographica Section C | 1,998 | 54 | 7 | 945 | 947 | 10.1107/S0108270198001693 | 0.71073 | MoKα | 0.06 | 0.035 | null | 0.09 | 0.099 | null | null | null | 1.028 | 1.021 | 1.021 | null | null | null | has coordinates | Inouye, Yoshinobu; Kambe, Tohru; Tada, Masaru
(Benzenethiolato-<i>S</i>)(4-<i>tert</i>-butylpyridine-<i>N</i>)bis(dimethylglyoximato-<i>N</i>,<i>N</i>')cobalt(III) and (4-<i>tert</i>-Butylpyridine-<i>N</i>)bis(dimethylglyoximato-<i>N</i>,<i>N</i>')(4-methoxybenzenethiolato-<i>S</i>)cobalt(III)
Acta Crystallographica Se... | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/74/2007465.cif $
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2,007,466 | 13.367 | 0.003 | 10.019 | 0.002 | 15.554 | 0.002 | 90 | null | 109.56 | 0.01 | 90 | null | 1,962.8 | 0.7 | 296 | null | 296 | null | null | null | null | null | 3 | P 1 21/a 1 | -P 2yab | 14 | 2,2-diphenyl-1,3,6,9,12-pentaoxacyclotetradecane | - C21 H26 O5 - | - C21 H26 O5 - | - C84 H104 O20 - | 4 | 1 | OA1043 | Hatsue Tamura; Shinya Ueno; Kazuhide Ogawa; Toshikazu Nagai; Takumi Oshima | Benzophenone Crown Ether Acetals with 14- and 17-Membered Rings | Acta Crystallographica Section C | 1,998 | 54 | 7 | 1049 | 1052 | 10.1107/S010827019800170X | 0.7107 | MoKα | null | 0.05 | null | null | 0.057 | null | null | null | null | 1.71 | 1.71 | null | null | null | has coordinates | Hatsue Tamura; Shinya Ueno; Kazuhide Ogawa; Toshikazu Nagai; Takumi Oshima
Benzophenone Crown Ether Acetals with 14- and 17-Membered Rings
Acta Crystallographica Section C
54(7)
(1998)
1049-1052 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/74/2007466.cif $
#-------------------------------------------------------------------... | ||||||||||
2,007,467 | 13.948 | 0.002 | 11.703 | 0.002 | 14.725 | 0.002 | 90 | null | 116.753 | 0.008 | 90 | null | 2,146.3 | 0.6 | 296 | null | 296 | null | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | 2,2-diphenyl-1,3,6,9,12,15-hexaoxacycloheptadecane | - C23 H30 O6 - | - C23 H28.494 O6 - | - C92 H113.976 O24 - | 4 | 1 | OA1043 | Hatsue Tamura; Shinya Ueno; Kazuhide Ogawa; Toshikazu Nagai; Takumi Oshima | Benzophenone Crown Ether Acetals with 14- and 17-Membered Rings | Acta Crystallographica Section C | 1,998 | 54 | 7 | 1049 | 1052 | 10.1107/S010827019800170X | 0.7107 | MoKα | 0.17 | 0.051 | null | 0.199 | 0.141 | null | null | null | 1.01 | 1.16 | 1.16 | null | null | null | has coordinates,has disorder | Hatsue Tamura; Shinya Ueno; Kazuhide Ogawa; Toshikazu Nagai; Takumi Oshima
Benzophenone Crown Ether Acetals with 14- and 17-Membered Rings
Acta Crystallographica Section C
54(7)
(1998)
1049-1052 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/74/2007467.cif $
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2,230,003 | 11.9807 | 0.0006 | 13.8725 | 0.0007 | 8.5378 | 0.0004 | 90 | null | 90 | 0.002 | 90 | null | 1,419 | 0.12 | 200 | 2 | 200 | 2 | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | 3,5-Dimethylphenol | 3,5-Dimethylphenol | - C8 H10 O - | - C8 H10 O - | - C64 H80 O8 - | 8 | 2 | HB5838 | Betz, Richard; McCleland, Cedric; Marchand, Harold | Redetermination of 3,5-dimethylphenol | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1152 | 10.1107/S1600536811013547 | 0.71073 | MoKα | 0.0578 | 0.0506 | null | null | 0.1378 | 0.1431 | null | null | null | null | null | 1.044 | null | null | has coordinates,has Fobs | Betz, Richard; McCleland, Cedric; Marchand, Harold
Redetermination of 3,5-dimethylphenol
Acta Crystallographica Section E
67(5)
(2011)
o1152 | 301,806 | 2025-08-19 | 15:27:02 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301806 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/00/2230003.cif $
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2,007,468 | 21.97 | 0.04 | 6.155 | 0.003 | 19.98 | 0.04 | 90 | null | 122.08 | 0.09 | 90 | null | 2,289 | 7 | 298 | null | null | null | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | 15 | - I4 O Ta4 Te9 - | - I4 O Ta4 Te9 - | - I16 O4 Ta16 Te36 - | 4 | 0.5 | OH1092 | Huang, Da-Ping; Huang, Chang-Cang; Liu, Shi-Xiong; Xu, Huai-Da; Huang, Jin-Ling | An Oxygen-Centred Tetranuclear Tantalum Cluster: Ta~4~O(Te~2~)~4~TeI~4~ | Acta Crystallographica Section C | 1,998 | 54 | 7 | 893 | 895 | 10.1107/S0108270197018593 | 0.71069 | MoKα | null | 0.033 | null | null | 0.043 | null | null | null | null | 1.072 | 1.072 | null | null | null | has coordinates | Huang, Da-Ping; Huang, Chang-Cang; Liu, Shi-Xiong; Xu, Huai-Da; Huang, Jin-Ling
An Oxygen-Centred Tetranuclear Tantalum Cluster: Ta~4~O(Te~2~)~4~TeI~4~
Acta Crystallographica Section C
54(7)
(1998)
893-895 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/74/2007468.cif $
#-------------------------------------------------------------------... | |||||||||||
2,007,469 | 7.712 | 0.002 | 26.454 | 0.008 | 6.777 | 0.002 | 91.06 | 0.02 | 102.02 | 0.02 | 94.69 | 0.02 | 1,346.9 | 0.7 | 296 | null | null | null | null | null | null | null | 3 | P -1 | -P 1 | 2 | - I10 Ta7 Te24 - | - I10 Ta7 Te24 - | - I10 Ta7 Te24 - | 1 | 0.5 | OH1093 | Huang, Jin-Ling; Huang, Da-Ping; Liu, Shi-Xiong; Huang, Chang-Cang; Xu, Huai-Da | A New One-Dimensional Compound: (TaTe~4~)~6~I~4~(TaI~6~) | Acta Crystallographica Section C | 1,998 | 54 | 7 | 895 | 897 | 10.1107/S010827019701860X | 0.71069 | MoKα | null | 0.0318 | null | null | 0.0554 | null | null | null | null | 1.44 | 1.44 | null | null | null | has coordinates | Huang, Jin-Ling; Huang, Da-Ping; Liu, Shi-Xiong; Huang, Chang-Cang; Xu, Huai-Da
A New One-Dimensional Compound: (TaTe~4~)~6~I~4~(TaI~6~)
Acta Crystallographica Section C
54(7)
(1998)
895-897 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/74/2007469.cif $
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2,007,470 | 7.7068 | 0.0011 | 10.1645 | 0.0012 | 9.691 | 0.002 | 90 | null | 90 | null | 90 | null | 759.2 | 0.2 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P b c n | -P 2n 2ab | 60 | - C7 H12 O4 - | - C7 H12 O4 - | - C28 H48 O16 - | 4 | 0.5 | OS1000 | Bromley, Mark K.; Looney, Mark G.; Solomon, David H.; Gable, Robert W.; Helliwell, Madeleine; Hodge, Philip | 1,5,7,11-Tetraoxaspiro[5.5]undecane, 3,9-Dimethylidene-1,5,7,11-tetraoxaspiro[5.5]undecane and 1,5-Dioxa-7,11-dithiaspiro[5.5]undecane | Acta Crystallographica Section C | 1,998 | 54 | 7 | 1019 | 1023 | 10.1107/S0108270198000274 | 0.71069 | MoKα | 0.048 | 0.035 | null | 0.088 | 0.079 | null | null | null | 1.147 | 1.193 | 1.193 | null | null | null | has coordinates | Bromley, Mark K.; Looney, Mark G.; Solomon, David H.; Gable, Robert W.; Helliwell, Madeleine; Hodge, Philip
1,5,7,11-Tetraoxaspiro[5.5]undecane, 3,9-Dimethylidene-1,5,7,11-tetraoxaspiro[5.5]undecane and 1,5-Dioxa-7,11-dithiaspiro[5.5]undecane
Acta Crystallographica Section C
54(7)
(1998)
1019-1023 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/74/2007470.cif $
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2,230,002 | 9.0992 | 0.0006 | 10.5297 | 0.0006 | 16.4038 | 0.0008 | 75.784 | 0.005 | 77.831 | 0.005 | 82.877 | 0.005 | 1,484.98 | 0.15 | 295 | 2 | 295 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | 1-Benzoyl-3-methyl-3-pentylthiourea | - C14 H20 N2 O S - | - C14 H20 N2 O S - | - C56 H80 N8 O4 S4 - | 4 | 2 | HB5837 | Gunasekaran, N.; Jerome, P.; Karvembu, R.; Ng, Seik Weng; Tiekink, Edward R. T. | 1-Benzoyl-3-methyl-3-pentylthiourea | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1149 | 10.1107/S1600536811013365 | 0.71073 | MoKα | 0.1235 | 0.062 | null | null | 0.1371 | 0.1843 | null | null | null | null | null | 1.026 | null | null | has coordinates,has disorder,has Fobs | Gunasekaran, N.; Jerome, P.; Karvembu, R.; Ng, Seik Weng; Tiekink, Edward R. T.
1-Benzoyl-3-methyl-3-pentylthiourea
Acta Crystallographica Section E
67(5)
(2011)
o1149 | 301,806 | 2025-08-19 | 15:27:02 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301806 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/00/2230002.cif $
#-------------------------------------------------------------------... | |||||||||||
2,007,471 | 10.175 | 0.002 | 9.6082 | 0.0014 | 9.577 | 0.002 | 90 | null | 90 | null | 90 | null | 936.3 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P b c n | -P 2n 2ab | 60 | - C9 H12 O4 - | - C9 H12 O4 - | - C36 H48 O16 - | 4 | 0.5 | OS1000 | Bromley, Mark K.; Looney, Mark G.; Solomon, David H.; Gable, Robert W.; Helliwell, Madeleine; Hodge, Philip | 1,5,7,11-Tetraoxaspiro[5.5]undecane, 3,9-Dimethylidene-1,5,7,11-tetraoxaspiro[5.5]undecane and 1,5-Dioxa-7,11-dithiaspiro[5.5]undecane | Acta Crystallographica Section C | 1,998 | 54 | 7 | 1019 | 1023 | 10.1107/S0108270198000274 | 0.71069 | MoKα | 0.084 | 0.043 | null | 0.125 | 0.103 | null | null | null | 1.042 | 1.113 | 1.113 | null | null | null | has coordinates | Bromley, Mark K.; Looney, Mark G.; Solomon, David H.; Gable, Robert W.; Helliwell, Madeleine; Hodge, Philip
1,5,7,11-Tetraoxaspiro[5.5]undecane, 3,9-Dimethylidene-1,5,7,11-tetraoxaspiro[5.5]undecane and 1,5-Dioxa-7,11-dithiaspiro[5.5]undecane
Acta Crystallographica Section C
54(7)
(1998)
1019-1023 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/74/2007471.cif $
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2,007,472 | 6.1062 | 0.0012 | 8.404 | 0.002 | 17.721 | 0.003 | 90 | null | 93.478 | 0.015 | 90 | null | 907.7 | 0.3 | 293 | 1 | 293 | 1 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | - C7 H12 O2 S2 - | - C7 H12 O2 S2 - | - C28 H48 O8 S8 - | 4 | 1 | OS1000 | Bromley, Mark K.; Looney, Mark G.; Solomon, David H.; Gable, Robert W.; Helliwell, Madeleine; Hodge, Philip | 1,5,7,11-Tetraoxaspiro[5.5]undecane, 3,9-Dimethylidene-1,5,7,11-tetraoxaspiro[5.5]undecane and 1,5-Dioxa-7,11-dithiaspiro[5.5]undecane | Acta Crystallographica Section C | 1,998 | 54 | 7 | 1019 | 1023 | 10.1107/S0108270198000274 | 0.71073 | MoKα | 0.03 | 0.027 | null | 0.074 | 0.072 | null | null | null | 1.084 | 1.104 | 1.104 | null | null | null | has coordinates | Bromley, Mark K.; Looney, Mark G.; Solomon, David H.; Gable, Robert W.; Helliwell, Madeleine; Hodge, Philip
1,5,7,11-Tetraoxaspiro[5.5]undecane, 3,9-Dimethylidene-1,5,7,11-tetraoxaspiro[5.5]undecane and 1,5-Dioxa-7,11-dithiaspiro[5.5]undecane
Acta Crystallographica Section C
54(7)
(1998)
1019-1023 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/74/2007472.cif $
#-------------------------------------------------------------------... | |||||||||||
2,007,473 | 14.225 | 0.002 | 14.225 | 0.002 | 5.9 | 0.003 | 90 | null | 90 | null | 120 | null | 1,033.9 | 0.6 | 293 | null | null | null | null | null | null | null | 3 | P 31 | P 31 | 144 | (1R,2R,5S,7R,8R,9S)-2,6,6,8-tetramethyl tricyclo[5.3.1^1,7^.0^1,5^]undecane-8,9-diol | - C15 H26 O2 - | - C15 H26 O2 - | - C45 H78 O6 - | 3 | 1 | QA0041 | Yi-Lin Song; Yu-Bo Fan; Quan-Rui Wang; Zong-Biao Ding; Feng-Gang Tao; Ming-Qin Chen; Jie Sun | Cedranediol: a New Auxiliary for Asymmetric Homologation | Acta Crystallographica Section C | 1,998 | 54 | 7 | IUC9800027 | 10.1107/S0108270198099557 | 0.7107 | MoKα | null | 0.04 | null | null | 0.043 | null | null | null | null | 1.41 | 1.41 | null | null | null | has coordinates | Yi-Lin Song; Yu-Bo Fan; Quan-Rui Wang; Zong-Biao Ding; Feng-Gang Tao; Ming-Qin Chen; Jie Sun
Cedranediol: a New Auxiliary for Asymmetric Homologation
Acta Crystallographica Section C
54(7)
(1998)
IUC9800027 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/74/2007473.cif $
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2,230,001 | 10.0488 | 0.0001 | 18.0008 | 0.0002 | 15.2054 | 0.0002 | 90 | null | 102.442 | 0.001 | 90 | null | 2,685.86 | 0.05 | 150 | 2 | 150 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | (<i>N</i>-Butyl-<i>N</i>-phenyldithiocarbamato-κ<i>S</i>)triphenyltin(IV) | - C29 H29 N S2 Sn - | - C29 H29 N S2 Sn - | - C116 H116 N4 S8 Sn4 - | 4 | 1 | HB5836 | Kamaludin, Nurul Farahana; Baba, Ibrahim; Awang, Normah; Mohamed Tahir, Mohamed Ibrahim; Tiekink, Edward R. T. | (<i>N</i>-Butyl-<i>N</i>-phenyldithiocarbamato-κ<i>S</i>)triphenyltin(IV) | Acta Crystallographica Section E | 2,011 | 67 | 5 | m555 | m556 | 10.1107/S1600536811012426 | 0.71073 | MoKα | 0.031 | 0.024 | null | null | 0.056 | 0.06 | null | null | null | null | null | 1.02 | null | null | has coordinates,has Fobs | Kamaludin, Nurul Farahana; Baba, Ibrahim; Awang, Normah; Mohamed Tahir, Mohamed Ibrahim; Tiekink, Edward R. T.
(<i>N</i>-Butyl-<i>N</i>-phenyldithiocarbamato-κ<i>S</i>)triphenyltin(IV)
Acta Crystallographica Section E
67(5)
(2011)
m555-m556 | 176,798 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-21 02:03:34 +0200 (Sun, 21 Feb 2016) $
#$Revision: 176798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/00/2230001.cif $
#-------------------------------------------------------------------... | ||||||||||
2,007,474 | 11.2771 | 0.001 | 11.3895 | 0.0011 | 13.715 | 0.002 | 90 | null | 90 | null | 90 | null | 1,761.6 | 0.3 | 133 | null | null | null | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | (2S,3R,4R,5R)-2-benzyl-N-(tert-butyloxycarbonyl)-3-hydroxy- 4,5-dimethyl-pyrrolidine | - C18 H27 N O3 - | - C18 H27 N O3 - | - C72 H108 N4 O12 - | 4 | 1 | QA0042 | Bats, Jan W.; Heinrich, Timo; Reggelin, Michael | (2<i>S</i>,3<i>R</i>,4<i>R</i>,5<i>R</i>)-2-Benzyl-<i>N</i>-(<i>tert</i>-butoxycarbonyl)-3-hydroxy-4,5-dimethylpyrrolidine at 133 K | Acta Crystallographica Section C | 1,998 | 54 | 7 | IUC9800033 | 10.1107/S010827019809951X | 0.71073 | Mo-Kα | null | 0.033 | null | null | 0.037 | null | null | null | null | 1.475 | 1.475 | null | null | null | has coordinates | Bats, Jan W.; Heinrich, Timo; Reggelin, Michael
(2<i>S</i>,3<i>R</i>,4<i>R</i>,5<i>R</i>)-2-Benzyl-<i>N</i>-(<i>tert</i>-butoxycarbonyl)-3-hydroxy-4,5-dimethylpyrrolidine at 133 K
Acta Crystallographica Section C
54(7)
(1998)
IUC9800033 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/74/2007474.cif $
#-------------------------------------------------------------------... | |||||||||||
2,007,475 | 10.2091 | 0.0009 | 11.4381 | 0.0009 | 20.236 | 0.003 | 90 | null | 93.831 | 0.009 | 90 | null | 2,357.7 | 0.4 | 294 | 1 | 294 | 1 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | 5-Bis(trimethylsilyl)amino-2-methoxy-3-methyl-6-(trimethylsilylamino)- pyrimidin-4(3H)-one | - C15 H34 N4 O2 Si3 - | - C15 H34 N4 O2 Si3 - | - C60 H136 N16 O8 Si12 - | 4 | 1 | QA0044 | Molina, Sebastian; Cobo, Justo; Nogueras, Manuel; Sanchez, Adolfo; Ferguson, George; Low, John N. | 5-[Bis(trimethylsilyl)amino]-2-methoxy-3-methyl-6-(trimethylsilylamino)pyrimidin-4(3<i>H</i>)-one | Acta Crystallographica Section C | 1,998 | 54 | 7 | IUC9800030 | 10.1107/S0108270198099533 | 0.7107 | MolybdenumKα | 0.0951 | 0.0483 | null | null | null | 0.1339 | null | null | null | null | null | 0.988 | null | null | has coordinates,has disorder | Molina, Sebastian; Cobo, Justo; Nogueras, Manuel; Sanchez, Adolfo; Ferguson, George; Low, John N.
5-[Bis(trimethylsilyl)amino]-2-methoxy-3-methyl-6-(trimethylsilylamino)pyrimidin-4(3<i>H</i>)-one
Acta Crystallographica Section C
54(7)
(1998)
IUC9800030 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/74/2007475.cif $
#-------------------------------------------------------------------... | |||||||||||
2,007,476 | 9.1779 | 0.0008 | 9.5094 | 0.0007 | 29.07 | 0.002 | 90 | null | 90 | null | 90 | null | 2,537.1 | 0.3 | 294 | 1 | 294 | 1 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | 6,7-Dihydro-6-methyl-5-methoxy-3-beta-D-(tetra-O-acetyl)glucopyranosyl -7-oxo-1,2,3-triazolo[4,5-d]pyrimidine | - C20 H25 N5 O11 - | - C20 H25 N5 O11 - | - C80 H100 N20 O44 - | 4 | 1 | QA0045 | Ferguson, George; Low, John N.; Nogueras, M.; Cobo, J.; Lopez, M. Dolores; Quijano, M. Luisa; Sanchez, A. | 6-Methyl-5-methoxy-3-(2,3,4,6-tetra-<i>O</i>-acetyl-β-<small>D</small>-glucopyranos-1-yl)-3<i>H</i>-1,2,3-triazolo[4,5-<i>d</i>]pyrimidin-7(6<i>H</i>)-one | Acta Crystallographica Section C | 1,998 | 54 | 7 | IUC9800031 | 10.1107/S0108270198099521 | 0.7107 | MolybdenumKα | 0.118 | 0.0522 | null | null | null | 0.115 | null | null | null | null | null | 0.923 | null | null | has coordinates | Ferguson, George; Low, John N.; Nogueras, M.; Cobo, J.; Lopez, M. Dolores; Quijano, M. Luisa; Sanchez, A.
6-Methyl-5-methoxy-3-(2,3,4,6-tetra-<i>O</i>-acetyl-β-<small>D</small>-glucopyranos-1-yl)-3<i>H</i>-1,2,3-triazolo[4,5-<i>d</i>]pyrimidin-7(6<i>H</i>)-one
Acta Crystallographica Section C
54(7)
(1998)
IUC9800031 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/74/2007476.cif $
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2,007,477 | 15.311 | 0.001 | 11.41 | 0.001 | 14.561 | 0.001 | 90 | null | 90 | null | 90 | null | 2,543.8 | 0.3 | 295 | 2 | 295 | 2 | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | 19 | the cholic acid methanol-water inclusion complex | - C25 H46 O7 - | - C25 H46 O7 - | - C100 H184 O28 - | 4 | 1 | QB0013 | Volkov, Anatoly; Huizhe, Zhu; Shuncheng, Liu; White, Mark A.; Coppens, Philip | The Cholic Acid-Methanol-Water Inclusion Complex | Acta Crystallographica Section C | 1,998 | 54 | 7 | IUC9800026 | 10.1107/S0108270198099569 | 0.71073 | MoKα | 0.0551 | 0.0534 | null | null | null | 0.1485 | null | null | null | null | null | 1.063 | null | null | has coordinates | Volkov, Anatoly; Huizhe, Zhu; Shuncheng, Liu; White, Mark A.; Coppens, Philip
The Cholic Acid-Methanol-Water Inclusion Complex
Acta Crystallographica Section C
54(7)
(1998)
IUC9800026 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/74/2007477.cif $
#-------------------------------------------------------------------... | |||||||||||
2,007,478 | 8.995 | 0.002 | 11.35 | 0.004 | 9.724 | 0.003 | 90 | null | 97.69 | 0.03 | 90 | null | 983.8 | 0.5 | 160 | 2 | 160 | 2 | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | Sodium Hexacyanoferrate(II) Decahydrate | - C6 H20 Fe N6 Na4 O10 - | - C12 H40 Fe2 N12 Na8 O20 - | - C12 H40 Fe2 N12 Na8 O20 - | 1 | 0.25 | QB0040 | Longridge, John J.; Rawson, Jeremy M.; Davies, John E. | Tetrasodium Hexacyanoferrate(II) Decahydrate | Acta Crystallographica Section C | 1,998 | 54 | 7 | IUC9800028 | 10.1107/S0108270198099582 | 0.71069 | MoKα | 0.0564 | 0.0549 | null | null | null | 0.1605 | null | null | null | null | null | 1.141 | null | null | has coordinates | Longridge, John J.; Rawson, Jeremy M.; Davies, John E.
Tetrasodium Hexacyanoferrate(II) Decahydrate
Acta Crystallographica Section C
54(7)
(1998)
IUC9800028 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/74/2007478.cif $
#-------------------------------------------------------------------... | |||||||||||
2,007,479 | 10.465 | 0.002 | 11.418 | 0.002 | 12.705 | 0.003 | 90 | null | 110.94 | 0.03 | 90 | null | 1,417.8 | 0.6 | 150 | 2 | 150 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | 4-(Benzoyloxy)methyl-2,2-dichloro-3,3-dimethylcyclobutanone | - C14 H14 Cl2 O3 - | - C14 H14 Cl2 O3 - | - C56 H56 Cl8 O12 - | 4 | 1 | QB0048 | Lee-Ruff, Edward; Ramnauth, Jailall | 3,3-Dichloro-4,4-dimethyl-2-oxocyclobut-1-yl Benzoate | Acta Crystallographica Section C | 1,998 | 54 | 7 | IUC9800029 | 10.1107/S0108270198099545 | 0.71073 | MoKα | 0.048 | 0.037 | null | null | null | 0.096 | null | null | null | null | null | 1.031 | null | null | has coordinates | Lee-Ruff, Edward; Ramnauth, Jailall
3,3-Dichloro-4,4-dimethyl-2-oxocyclobut-1-yl Benzoate
Acta Crystallographica Section C
54(7)
(1998)
IUC9800029 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/74/2007479.cif $
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2,007,480 | 7.406 | 0.001 | 12.386 | 0.002 | 12.409 | 0.003 | 105.9 | 0.02 | 101.6 | 0.02 | 91.27 | 0.02 | 1,068.8 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 7 | P -1 | -P 1 | 2 | Lead(II)bis(2-fluorobenzoato)-bis(thiourea)monohydrate | (catena-(bis(μ-thiourea-S,S)-2-fluorobenzoato)-lead(II)) 2-fluorobenzoate - water (1/1) | - C16 H18 F2 N4 O5 Pb S2 - | - C16 H18 F2 N4 O5 Pb S2 - | - C32 H36 F4 N8 O10 Pb2 S4 - | 2 | 1 | QC0003 | Ragan, Colman; Jai-nhuknan, Jaran; Hughes, John M.; Cantrell, Joseph S. | Poly[[(2-fluorobenzoato)lead(II)-di-μ-thiourea-<i>S</i>:<i>S</i>] 2-Fluorobenzoate Monohydrate] | Acta Crystallographica Section C | 1,998 | 54 | 7 | IUC9800032 | 10.1107/S0108270198099570 | 0.71069 | MoKα | 0.042 | 0.035 | null | 0.08 | 0.076 | null | null | null | 0.997 | 1.002 | 1.002 | null | null | null | has coordinates | Ragan, Colman; Jai-nhuknan, Jaran; Hughes, John M.; Cantrell, Joseph S.
Poly[[(2-fluorobenzoato)lead(II)-di-μ-thiourea-<i>S</i>:<i>S</i>] 2-Fluorobenzoate Monohydrate]
Acta Crystallographica Section C
54(7)
(1998)
IUC9800032 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/74/2007480.cif $
#-------------------------------------------------------------------... | ||||||||||
2,230,000 | 11.8015 | 0.0003 | 16.6316 | 0.0004 | 13.7505 | 0.0003 | 90 | null | 101.738 | 0.002 | 90 | null | 2,642.48 | 0.11 | 150 | 2 | 150 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | Bis(<i>N</i>-isopropyl-<i>N</i>-methyldithiocarbamato- κ^2^<i>S</i>,<i>S</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc | - C22 H28 N4 S4 Zn - | - C22 H28 N4 S4 Zn - | - C88 H112 N16 S16 Zn4 - | 4 | 1 | HB5835 | Wahab, Nor Asiken Abdul; Baba, Ibrahim; Mohamed Tahir, Mohamed Ibrahim; Tiekink, Edward R. T. | Bis(<i>N</i>-isopropyl-<i>N</i>-methyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc | Acta Crystallographica Section E | 2,011 | 67 | 5 | m553 | m554 | 10.1107/S1600536811012499 | 0.71073 | MoKα | 0.051 | 0.036 | null | null | 0.083 | 0.093 | null | null | null | null | null | 1.04 | null | null | has coordinates,has Fobs | Wahab, Nor Asiken Abdul; Baba, Ibrahim; Mohamed Tahir, Mohamed Ibrahim; Tiekink, Edward R. T.
Bis(<i>N</i>-isopropyl-<i>N</i>-methyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc
Acta Crystallographica Section E
67(5)
(2011)
m553-m554 | 176,798 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-21 02:03:34 +0200 (Sun, 21 Feb 2016) $
#$Revision: 176798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/00/2230000.cif $
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2,007,481 | 9.755 | 0.002 | 7.43 | 0.002 | 11.255 | 0.002 | 90 | null | 99.8 | 0.1 | 90 | null | 803.9 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | Methanediyl bis(N,N-diethyldithiocarbamate). | - C11 H22 N2 S4 - | - C11 H22 N2 S4 - | - C22 H44 N4 S8 - | 2 | 1 | SK1097 | Marzotto, Armando; Clemente, Dore Augusto; Valle, Giovanni | A New Bis(dithioester): Methanediyl Bis(<i>N</i>,<i>N</i>-diethyldithiocarbamate), Derived from <i>cis</i>-Dichlorobis(<i>N</i>,<i>N</i>-diethyldithiocarbamato-<i>S</i>,<i>S</i>')tin(IV) | Acta Crystallographica Section C | 1,998 | 54 | 7 | 1040 | 1042 | 10.1107/S0108270198000924 | 0.71073 | MoKα | 0.051 | 0.029 | null | 0.076 | 0.069 | null | null | null | 0.975 | 1.01 | 1.01 | null | null | null | has coordinates | Marzotto, Armando; Clemente, Dore Augusto; Valle, Giovanni
A New Bis(dithioester): Methanediyl Bis(<i>N</i>,<i>N</i>-diethyldithiocarbamate), Derived from <i>cis</i>-Dichlorobis(<i>N</i>,<i>N</i>-diethyldithiocarbamato-<i>S</i>,<i>S</i>')tin(IV)
Acta Crystallographica Section C
54(7)
(1998)
1040-1042 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/74/2007481.cif $
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2,007,482 | 10.435 | 0.002 | 7.312 | 0.003 | 14.596 | 0.002 | 90 | null | 101.29 | 0.02 | 90 | null | 1,092.1 | 0.5 | 292 | null | 292 | null | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | Hexakis(urea)magnesium chlorate | - C6 H24 Cl2 Mg N12 O12 - | - C6 H24 Cl2 Mg N12 O12 - | - C12 H48 Cl4 Mg2 N24 O24 - | 2 | 0.5 | SK1132 | Todorov, Todor; Petrova, Rosica; Kossev, Krasimir; Macíček, Josef; Angelova, Olyana | Hexakis(urea-<i>O</i>)magnesium Dichlorate | Acta Crystallographica Section C | 1,998 | 54 | 7 | 927 | 929 | 10.1107/S0108270197018167 | 0.71073 | MoKα | null | 0.04 | null | null | null | 0.048 | null | null | null | null | null | 0.726 | null | null | has coordinates | Todorov, Todor; Petrova, Rosica; Kossev, Krasimir; Macíček, Josef; Angelova, Olyana
Hexakis(urea-<i>O</i>)magnesium Dichlorate
Acta Crystallographica Section C
54(7)
(1998)
927-929 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/74/2007482.cif $
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2,007,483 | 18.267 | 0.003 | 12.122 | 0.002 | 27.522 | 0.004 | 90 | null | 108.26 | 0.02 | 90 | null | 5,787.4 | 1.7 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | - C48 H40 P2 S15 Sb2 - | - C48 H40 P2 S15 Sb2 - | - C192 H160 P8 S60 Sb8 - | 4 | 0.5 | SK1145 | Rijnberk, Herme; Näther, Christian; Schur, Michael; Jeß, Inke; Bensch, Wolfgang | [Ph~4~P]~2~[Sb~2~S~15~] | Acta Crystallographica Section C | 1,998 | 54 | 7 | 920 | 923 | 10.1107/S0108270198001188 | 0.71073 | MoKα | 0.0465 | 0.0257 | null | 0.0629 | 0.0577 | null | null | null | 1.022 | 1.076 | 1.076 | null | null | null | has coordinates | Rijnberk, Herme; Näther, Christian; Schur, Michael; Jeß, Inke; Bensch, Wolfgang
[Ph~4~P]~2~[Sb~2~S~15~]
Acta Crystallographica Section C
54(7)
(1998)
920-923 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/74/2007483.cif $
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2,007,484 | 9.627 | 0.002 | 11.119 | 0.002 | 9.562 | 0.002 | 90 | null | 90 | null | 90 | null | 1,023.5 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P n m a | -P 2ac 2n | 62 | Trirubidium niobium tetrasulfide | - Nb Rb3 S4 - | - Nb Rb3 S4 - | - Nb4 Rb12 S16 - | 4 | 0.5 | SK1159 | Krause, Oliver; Näther, Christian; Jeß, Inke; Bensch, Wolfgang | Trirubidium Tetrathioniobate | Acta Crystallographica Section C | 1,998 | 54 | 7 | 902 | 904 | 10.1107/S0108270198001723 | 0.71073 | MoKα | 0.0539 | 0.0292 | null | 0.0748 | 0.0677 | null | null | null | 1.016 | 1.052 | 1.052 | null | null | null | has coordinates | Krause, Oliver; Näther, Christian; Jeß, Inke; Bensch, Wolfgang
Trirubidium Tetrathioniobate
Acta Crystallographica Section C
54(7)
(1998)
902-904 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/74/2007484.cif $
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2,007,485 | 18.618 | 0.002 | 18.618 | 0.002 | 18.618 | 0.002 | 118.34 | 0.01 | 118.34 | 0.01 | 118.34 | 0.01 | 2,141 | 4 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | R -3 :R | -P 3* | 148 | 2-(4-nitroanilino)-phenethylalcohol | - C14 H14 N2 O3 - | - C14 H14 N2 O3 - | - C84 H84 N12 O18 - | 6 | 1 | SK1162 | Kandasamy Chinnakali; Hoong-Kun Fun; Kamaraj Sriraghavan; Vaylakkavoor T.Ramakrishnan | 2-(4-Nitroanilino)-2-phenylethanol | Acta Crystallographica Section C | 1,998 | 54 | 7 | 955 | 957 | 10.1107/S0108270198001826 | 0.71073 | MoKα | 0.1029 | 0.0446 | null | 0.1246 | 0.1092 | null | null | null | 0.798 | 1.069 | 1.069 | null | null | null | has coordinates | Kandasamy Chinnakali; Hoong-Kun Fun; Kamaraj Sriraghavan; Vaylakkavoor T.Ramakrishnan
2-(4-Nitroanilino)-2-phenylethanol
Acta Crystallographica Section C
54(7)
(1998)
955-957 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/74/2007485.cif $
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2,007,486 | 9.68 | 0.003 | 17.611 | 0.004 | 10.076 | 0.002 | 90 | null | 116.96 | 0.02 | 90 | null | 1,531 | 0.7 | 178 | 2 | 178 | 2 | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | (1R,2R)-Cyclopentane-1,2-diyl-bis[(4'S,5'S)-4',5'-diisopropoxycarbonyl- 1'3',2'-dioxaphospholane] | - C25 H40 O12 P2 - | - C25 H40 O12 P2 - | - C50 H80 O24 P4 - | 2 | 1 | SK1170 | Dahlenburg, Lutz; Kaunert, Anja | Chiral Bisphosphanes. IV. Tetraisopropyl 2,2'-[(1<i>R</i>,2<i>R</i>)-Cyclopentane-1,2-diyl]bis[(4<i>S</i>,5<i>S</i>)-1,3,2-dioxaphospholane-4,5-dicarboxylate] | Acta Crystallographica Section C | 1,998 | 54 | 7 | 1016 | 1017 | 10.1107/S010827019800119X | 0.71069 | MoKα | 0.0587 | 0.0526 | null | 0.1414 | null | 0.1399 | null | null | 1.051 | null | null | 1.041 | null | null | has coordinates | Dahlenburg, Lutz; Kaunert, Anja
Chiral Bisphosphanes. IV. Tetraisopropyl 2,2'-[(1<i>R</i>,2<i>R</i>)-Cyclopentane-1,2-diyl]bis[(4<i>S</i>,5<i>S</i>)-1,3,2-dioxaphospholane-4,5-dicarboxylate]
Acta Crystallographica Section C
54(7)
(1998)
1016-1017 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/74/2007486.cif $
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2,229,999 | 9.6061 | 0.0002 | 28.6277 | 0.0004 | 9.8187 | 0.0002 | 90 | null | 112.86 | 0.002 | 90 | null | 2,488.07 | 0.09 | 150 | 2 | 150 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | (2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')bis(<i>N</i>-isopropyl- <i>N</i>-methyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')cadmium | - C20 H28 Cd N4 S4 - | - C20 H28 Cd N4 S4 - | - C80 H112 Cd4 N16 S16 - | 4 | 1 | HB5834 | Wahab, Nor Asiken Abdul; Baba, Ibrahim; Mohamed Tahir, Mohamed Ibrahim; Tiekink, Edward R. T. | (2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')bis(<i>N</i>-isopropyl-<i>N</i>-methyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')cadmium | Acta Crystallographica Section E | 2,011 | 67 | 5 | m551 | m552 | 10.1107/S1600536811012414 | 0.71073 | MoKα | 0.028 | 0.022 | null | null | 0.05 | 0.053 | null | null | null | null | null | 1.03 | null | null | has coordinates,has Fobs | Wahab, Nor Asiken Abdul; Baba, Ibrahim; Mohamed Tahir, Mohamed Ibrahim; Tiekink, Edward R. T.
(2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')bis(<i>N</i>-isopropyl-<i>N</i>-methyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')cadmium
Acta Crystallographica Section E
67(5)
(2011)
m551-m552 | 176,789 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 22:30:07 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176789 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/22/99/2229999.cif $
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2,007,487 | 9.9216 | 0.0006 | 11.2148 | 0.0006 | 12.1991 | 0.0007 | 90 | null | 105.558 | 0.005 | 90 | null | 1,307.64 | 0.13 | 298 | 2 | 298 | 2 | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | Bis(dichlorodimethyltin^.^3-methyl-4-nitropyridine N-oxide) | - C8 H12 Cl2 N2 O3 Sn - | - C8 H12 Cl2 N2 O3 Sn - | - C32 H48 Cl8 N8 O12 Sn4 - | 4 | 1 | SK1174 | Lim, Hock Chuan; Ng, Seik Weng | Di-μ-chloro-bis[chlorodimethyl(3-methyl-4-nitropyridine <i>N</i>-oxide-<i>O</i>)tin] | Acta Crystallographica Section C | 1,998 | 54 | 7 | 939 | 941 | 10.1107/S0108270198001735 | 0.71073 | MoKα | 0.0381 | 0.0255 | null | 0.0633 | 0.0585 | null | null | null | 1.009 | 1.045 | 1.045 | null | null | null | has coordinates | Lim, Hock Chuan; Ng, Seik Weng
Di-μ-chloro-bis[chlorodimethyl(3-methyl-4-nitropyridine <i>N</i>-oxide-<i>O</i>)tin]
Acta Crystallographica Section C
54(7)
(1998)
939-941 | 197,922 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-06-19 12:02:37 +0300 (Mon, 19 Jun 2017) $
#$Revision: 197922 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/74/2007487.cif $
#-------------------------------------------------------------------... | ||||||||||
2,007,488 | 12.8011 | 0.0002 | 9.6258 | 0.0002 | 19.4453 | 0.0002 | 90 | null | 92.882 | 0.001 | 90 | null | 2,393.04 | 0.07 | 173 | null | 173 | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | - C12 H10 Cl2 N2 - | - C12 H10 Cl2 N2 - | - C96 H80 Cl16 N16 - | 8 | 2 | SK1176 | Benchat, Nour-Eddine; Taoufik, Jamal; Essassi, El-Mokhtar; Ramdani, Abdelkrim; El-Bali, Brahim; Bolte, Michael | 6-Chloro-4-(<i>o</i>-chlorobenzyl)-3-methylpyridazine at 173K | Acta Crystallographica Section C | 1,998 | 54 | 7 | 964 | 966 | 10.1107/S0108270198001838 | 0.71073 | MoKα | 0.0465 | 0.034 | null | 0.081 | 0.0753 | 0.081 | null | null | 1.052 | null | null | 1.052 | null | null | has coordinates | Benchat, Nour-Eddine; Taoufik, Jamal; Essassi, El-Mokhtar; Ramdani, Abdelkrim; El-Bali, Brahim; Bolte, Michael
6-Chloro-4-(<i>o</i>-chlorobenzyl)-3-methylpyridazine at 173K
Acta Crystallographica Section C
54(7)
(1998)
964-966 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/74/2007488.cif $
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2,007,489 | 8.5961 | 0.0003 | 10.367 | 0.0006 | 16.506 | 0.001 | 90 | null | 98.76 | 0.01 | 90 | null | 1,453.79 | 0.14 | 296 | null | null | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | null | - C19 H13 N O - | - C19 H13 N O - | - C76 H52 N4 O4 - | 4 | 1 | SX1044 | Garcia, J. Gabriel; Haas, Julia; Rodriguez, Augusto; Fronczek, Frank R. | 9-Hydroxy-9-(3-methylbut-3-en-1-ynyl)-9<i>H</i>-fluorene-1-carbonitrile | Acta Crystallographica Section C | 1,998 | 54 | 7 | 952 | 954 | 10.1107/S010827019701771X | 1.54184 | CuKα | null | 0.038 | null | null | 0.051 | null | null | null | null | 2.58 | 2.58 | null | null | null | has coordinates,has disorder,has Fobs | Garcia, J. Gabriel; Haas, Julia; Rodriguez, Augusto; Fronczek, Frank R.
9-Hydroxy-9-(3-methylbut-3-en-1-ynyl)-9<i>H</i>-fluorene-1-carbonitrile
Acta Crystallographica Section C
54(7)
(1998)
952-954 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/74/2007489.cif $
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2,229,998 | 4.82 | 0.001 | 38.385 | 0.003 | 7.207 | 0.002 | 90 | null | 96.381 | 0.002 | 90 | null | 1,325.1 | 0.5 | 298 | 2 | 298 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | 2-Ethoxy-6-[(3-methylpyridin-2-yl)iminomethyl]phenol | - C15 H16 N2 O2 - | - C15 H16 N2 O2 - | - C60 H64 N8 O8 - | 4 | 1 | HB5833 | Yuan, Xiao-Ling | 2-Ethoxy-6-[(3-methylpyridin-2-yl)iminomethyl]phenol | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1064 | 10.1107/S1600536811012116 | 0.71073 | MoKα | 0.1694 | 0.0739 | null | null | 0.1585 | 0.1995 | null | null | null | null | null | 1.031 | null | null | has coordinates,has Fobs | Yuan, Xiao-Ling
2-Ethoxy-6-[(3-methylpyridin-2-yl)iminomethyl]phenol
Acta Crystallographica Section E
67(5)
(2011)
o1064 | 301,805 | 2025-08-19 | 13:58:40 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 16:18:28 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301805 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/22/99/2229998.cif $
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2,007,490 | 9.226 | 0.001 | 15.164 | 0.002 | 18.868 | 0.002 | 90 | null | 99.03 | 0.01 | 90 | null | 2,607 | 0.5 | 298 | 2 | 298 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | Bis[2,2'-iminodipyridinium(1+)] bis[μ-4-hydroxy-2,6-pyridinedicarboxylato(3-)]bis[aquadibutyltin(IV)] dihydrate | - C25 H34 N4 O7 Sn - | - C25 H34 N4 O7 Sn - | - C100 H136 N16 O28 Sn4 - | 4 | 1 | TA1200 | Ng, Seik Weng | Bis[2,2'-iminodipyridinium(1+)] Bis[μ-4-hydroxy-2,6-pyridinedicarboxylato(3 ‒)]bis[aquadibutyltin(IV)] Dihydrate | Acta Crystallographica Section C | 1,998 | 54 | 7 | 914 | 916 | 10.1107/S0108270198001322 | 0.71073 | MoKα | 0.04 | 0.028 | null | 0.072 | 0.067 | null | null | null | 1.002 | 1.04 | 1.04 | null | null | null | has coordinates | Ng, Seik Weng
Bis[2,2'-iminodipyridinium(1+)] Bis[μ-4-hydroxy-2,6-pyridinedicarboxylato(3 ‒)]bis[aquadibutyltin(IV)] Dihydrate
Acta Crystallographica Section C
54(7)
(1998)
914-916 | 197,922 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-06-19 12:02:37 +0300 (Mon, 19 Jun 2017) $
#$Revision: 197922 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/74/2007490.cif $
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