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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
2,011,561 | 10.642 | 0.003 | 11.719 | 0.002 | 10.977 | 0.003 | 90 | null | 108.04 | 0.02 | 90 | null | 1,301.7 | 0.6 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 1 21 1 | P 2yb | 4 | 1a,2a-Epoxy-24(R)-acyloxycholesta-4,6-dien-3-one hydrate | - C29 H44 O5 - | - C29 H44 O5 - | - C58 H88 O10 - | 2 | 1 | QB9203 | Rajalakshmi, K.; Pattabhi, Vasantha; Venkatesan, C. S.; Nadamuni, G.; Srikrishna, A. | 24(<i>R</i>)-Acetyloxy-1α,2α-epoxycholesta-4,6-dien-3-one hydrate. Erratum | Acta Crystallographica Section C | 2,000 | 56 | 11 | e538 | e538 | 10.1107/S0108270100012993 | 1.5418 | CuKα | 0.072 | 0.056 | null | null | null | 0.162 | null | null | null | null | null | 1.123 | null | null | has coordinates | Rajalakshmi, K.; Pattabhi, Vasantha; Venkatesan, C. S.; Nadamuni, G.; Srikrishna, A.
24(<i>R</i>)-Acetyloxy-1α,2α-epoxycholesta-4,6-dien-3-one hydrate. Erratum
Acta Crystallographica Section C
56(11)
(2000)
e538-e538 | 201,957 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-10-13 03:48:21 +0300 (Fri, 13 Oct 2017) $
#$Revision: 201957 $
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2,011,562 | 9.495 | 0.0011 | 8.4241 | 0.001 | 10.0938 | 0.0012 | 90 | null | 95.876 | 0.002 | 90 | null | 803.13 | 0.16 | 296 | 2 | 296 | 2 | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | meso-2,2'-Diphenyl-3,3',4,4'-tetrahydro-2,2'-bifuran-5,5'(2H,2'H)-dione | - C20 H18 O4 - | - C20 H18 O4 - | - C40 H36 O8 - | 2 | 0.5 | QD0025 | Billing, David G.; Holzapfel, Cedric W.; Blann, Kevin; Williams, D. Bradley G. | <i>meso</i>-2,2'-Diphenyl-3,3',4,4'-tetrahydro-2,2'-bifuran-5,5'(2<i>H</i>,2'<i>H</i>)-dione | Acta Crystallographica Section C | 2,000 | 56 | 11 | e522 | e523 | 10.1107/S0108270100013081 | 0.71073 | MoKα | 0.067 | 0.046 | null | null | null | 0.144 | null | null | null | null | null | 1.013 | null | null | has coordinates,has Fobs | Billing, David G.; Holzapfel, Cedric W.; Blann, Kevin; Williams, D. Bradley G.
<i>meso</i>-2,2'-Diphenyl-3,3',4,4'-tetrahydro-2,2'-bifuran-5,5'(2<i>H</i>,2'<i>H</i>)-dione
Acta Crystallographica Section C
56(11)
(2000)
e522-e523 | 301,798 | 2025-08-19 | 6:41:47 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,011,563 | 12.9459 | 0.0009 | 13.1082 | 0.0009 | 13.9889 | 0.0009 | 90 | null | 90.3 | 0.002 | 90 | null | 2,373.8 | 0.3 | 200 | 2 | 200 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | tris(benzohydroxamato)iron(III) trihydrate | - C21 H24 Fe N3 O9 - | - C21 H24 Fe N3 O9 - | - C84 H96 Fe4 N12 O36 - | 4 | 1 | QD0034 | Marmion, Celine J.; Murphy, Terry; Starikova, Zoya; Nolan, Kevin B. | Redetermination of <i>fac</i>-tris(benzohydroxamato)iron(III) trihydrate | Acta Crystallographica Section C | 2,000 | 56 | 11 | e491 | e492 | 10.1107/S010827010001307X | 0.71073 | MoKα | 0.107 | 0.041 | null | null | null | 0.072 | null | null | null | null | null | 0.73 | null | null | has coordinates,has Fobs | Marmion, Celine J.; Murphy, Terry; Starikova, Zoya; Nolan, Kevin B.
Redetermination of <i>fac</i>-tris(benzohydroxamato)iron(III) trihydrate
Acta Crystallographica Section C
56(11)
(2000)
e491-e492 | 301,798 | 2025-08-19 | 6:41:47 | #------------------------------------------------------------------------------
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2,011,564 | 6.507 | 0.001 | 7.448 | 0.002 | 7.735 | 0.002 | 109.25 | 0.04 | 95.11 | 0.04 | 109.52 | 0.05 | 325.1 | 0.2 | 180 | 2 | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C6 H22 Cu N4 O8 - | - C6 H22 Cu N4 O8 - | - C6 H22 Cu N4 O8 - | 1 | 0.5 | QD0038 | Chapman, James; Pickett, Nigel L.; Kolawole, Gabriel; Motevalli, Majid; O'Brien, Paul | <i>trans</i>-Bis[2,3-diamino-(<i>R</i>,<i>S</i>)-propionato-<i>N</i>,<i>N</i>']diaquacopper(II) dihydrate | Acta Crystallographica Section C | 2,000 | 56 | 11 | e501 | e502 | 10.1107/S0108270100013500 | 0.71073 | MoKα | null | 0.039 | null | null | null | 0.106 | null | null | null | null | null | 1.054 | null | null | has coordinates | Chapman, James; Pickett, Nigel L.; Kolawole, Gabriel; Motevalli, Majid; O'Brien, Paul
<i>trans</i>-Bis[2,3-diamino-(<i>R</i>,<i>S</i>)-propionato-<i>N</i>,<i>N</i>']diaquacopper(II) dihydrate
Acta Crystallographica Section C
56(11)
(2000)
e501-e502 | 301,798 | 2025-08-19 | 6:41:47 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,011,565 | 7.933 | 0.007 | 9.328 | 0.006 | 12.814 | 0.009 | 90 | null | 91.76 | 0.04 | 90 | null | 947.8 | 1.2 | 153 | 2 | 153 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | 1,3,5-Trichloro-2,4-dinitrobenzene | 1,3,5-Trichloro-2,4-dinitrobenzene | - C6 H Cl3 N2 O4 - | - C6 H Cl3 N2 O4 - | - C24 H4 Cl12 N8 O16 - | 4 | 1 | QD0039 | Kruger, Paul E.; Mackie, Philip R.; Nieuwenhuyzen, Mark | Redetermination of 1,3,5-trichloro-2,4-dinitrobenzene | Acta Crystallographica Section C | 2,000 | 56 | 11 | e532 | e532 | 10.1107/S0108270100013998 | 0.71073 | MoKα | 0.082 | 0.054 | null | null | null | 0.154 | null | null | null | null | null | 0.889 | null | null | has coordinates | Kruger, Paul E.; Mackie, Philip R.; Nieuwenhuyzen, Mark
Redetermination of 1,3,5-trichloro-2,4-dinitrobenzene
Acta Crystallographica Section C
56(11)
(2000)
e532-e532 | 301,798 | 2025-08-19 | 6:41:47 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,011,566 | 8.849 | 0.0018 | 9.206 | 0.0013 | 9.8438 | 0.0019 | 63.196 | 0.014 | 76.908 | 0.015 | 73.937 | 0.013 | 683 | 0.2 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | N-(4-Methylphenyl)-N-2-propynyl-N-5-nitro-2-furfurylamine | - C15 H14 N2 O3 - | - C15 H14 N2 O3 - | - C30 H28 N4 O6 - | 2 | 1 | Hergold-Brundić, Antonija; Pavlović, Gordana; Mance, Ana Dunja; Jakopčić, Krešimir | N-(4-Methylphenyl)-N-(5-nitrofurfuryl)-N-prop-2-ynylamine | Acta Crystallographica, Section C: Crystal Structure Communications | 2,000 | 56 | 11 | e520 | e521 | 10.1107/s0108270100013068 | 0.71073 | MoKα | 0.078 | 0.039 | null | null | null | 0.101 | null | null | null | null | null | 0.973 | null | null | has coordinates,has Fobs | Hergold-Brundić, Antonija; Pavlović, Gordana; Mance, Ana Dunja; Jakopčić, Krešimir
N-(4-Methylphenyl)-N-(5-nitrofurfuryl)-N-prop-2-ynylamine
Acta Crystallographica, Section C: Crystal Structure Communications
56(11)
(2000)
e520-e521 | 301,798 | 2025-08-19 | 6:41:47 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
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2,011,567 | 16.0495 | 0.0011 | 10.524 | 0.0013 | 15.6324 | 0.0012 | 90 | null | 104.232 | 0.002 | 90 | null | 2,559.4 | 0.4 | 295 | null | null | null | null | null | null | null | 6 | C 1 2/c 1 | -C 2yc | 15 | - C28 H26 Cl2 N2 O2 Zn - | - C28 H26 Cl2 N2 O2 Zn - | - C112 H104 Cl8 N8 O8 Zn4 - | 4 | 0.5 | SK1401 | Ülkü, Dinçer; Arıcı, Cengiz; Tahir, M. Nawaz; Atakol, Orhan | Dichlorobis[2-(<i>o</i>-tolyliminiomethyl)phenolato-<i>O</i>]zinc(II) | Acta Crystallographica Section C | 2,000 | 56 | 11 | 1298 | 1299 | 10.1107/S0108270100009008 | 0.71073 | MoKα | null | 0.028 | null | null | null | 0.037 | null | null | null | null | null | 1.04 | null | null | has coordinates,has Fobs | Ülkü, Dinçer; Arıcı, Cengiz; Tahir, M. Nawaz; Atakol, Orhan
Dichlorobis[2-(<i>o</i>-tolyliminiomethyl)phenolato-<i>O</i>]zinc(II)
Acta Crystallographica Section C
56(11)
(2000)
1298-1299 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/15/2011567.cif $
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2,011,568 | 11.682 | 0.002 | 38.168 | 0.006 | 14.245 | 0.002 | 90 | null | 112.63 | 0.01 | 90 | null | 5,862.5 | 1.6 | 297 | 2 | 297 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | Tris(2,6-di-tert-butyl-4-methylphenoxo-) (triphenylphosphine oxide) samarium | - C63 H84 O4 P Sm - | - C63 H84 O4 P Sm - | - C252 H336 O16 P4 Sm4 - | 4 | 1 | SK1411 | Yao, Yingming; Shen, Qi; Yu, Kaibei | Tris(2,6-di-<i>tert</i>-butyl-4-methylphenolato-<i>O</i>)(triphenylphosphine oxide-<i>O</i>)samarium(III) | Acta Crystallographica Section C | 2,000 | 56 | 11 | 1330 | 1331 | 10.1107/S0108270100010192 | 0.71073 | MoKα | 0.064 | 0.033 | null | 0.084 | null | 0.057 | null | null | 0.847 | null | null | 0.972 | null | null | has coordinates,has Fobs | Yao, Yingming; Shen, Qi; Yu, Kaibei
Tris(2,6-di-<i>tert</i>-butyl-4-methylphenolato-<i>O</i>)(triphenylphosphine oxide-<i>O</i>)samarium(III)
Acta Crystallographica Section C
56(11)
(2000)
1330-1331 | 301,798 | 2025-08-19 | 6:41:47 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
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2,011,569 | 5.926 | 0.002 | 9.489 | 0.003 | 13.452 | 0.005 | 90 | null | 90 | null | 90 | null | 756.4 | 0.4 | 173 | 2 | 173 | 2 | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | 19 | bicyclo[2.2.1]hept-2-ene-endo-cis-5,6-dicarboxylic anhydride | - C9 H8 O3 - | - C9 H8 O3 - | - C36 H32 O12 - | 4 | 1 | SK1412 | Bolte, Michael; Degen, Alexander; Egert, Ernst | Diels–Alder adducts of maleic anhydride and dienes: new compounds by crystallization | Acta Crystallographica Section C | 2,000 | 56 | 11 | 1338 | 1342 | 10.1107/S0108270100010131 | 0.71073 | MoKα | 0.043 | 0.041 | null | null | null | 0.11 | null | null | null | null | null | 1.138 | null | null | has coordinates,has Fobs | Bolte, Michael; Degen, Alexander; Egert, Ernst
Diels–Alder adducts of maleic anhydride and dienes: new compounds by crystallization
Acta Crystallographica Section C
56(11)
(2000)
1338-1342 | 301,798 | 2025-08-19 | 6:41:47 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,011,570 | 29.639 | 0.004 | 29.639 | 0.004 | 8.119 | 0.002 | 90 | null | 90 | null | 120 | null | 6,176.8 | 1.9 | 173 | 2 | 173 | 2 | null | null | null | null | 4 | R -3 :H | -R 3 | 148 | 1,2,3,4,7,7-hexachlorobicyclo[2.2.1]hept-2-ene-endo-cis-5,6-dicarboxylic anhydride diethyl ether solvate | - C9.64 H3.6 Cl6 O3.16 - | - C9.66333 H3.65 Cl6 O3.17 - | - C173.94 H65.7 Cl108 O57.06 - | 18 | 1 | SK1412 | Bolte, Michael; Degen, Alexander; Egert, Ernst | Diels‒Alder adducts of maleic anhydride and dienes: new compounds by crystallization | Acta Crystallographica Section C | 2,000 | 56 | 11 | 1338 | 1342 | 10.1107/S0108270100010131 | 0.71073 | MoKα | 0.046 | 0.032 | null | null | null | 0.078 | null | null | null | null | null | 1.06 | null | null | has coordinates,has Fobs | Bolte, Michael; Degen, Alexander; Egert, Ernst
Diels‒Alder adducts of maleic anhydride and dienes: new compounds by crystallization
Acta Crystallographica Section C
56(11)
(2000)
1338-1342 | 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/2/01/15/2011570.cif $
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2,011,571 | 10.999 | 0.002 | 7.389 | 0.001 | 10.41 | 0.002 | 90 | null | 98.75 | 0.03 | 90 | null | 836.2 | 0.3 | 173 | 2 | 173 | 2 | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | bicyclo[2.2.1]hept-2-ene-endo-cis-5,6-dicarboxylic acid | - C9 H10 O4 - | - C9 H10 O4 - | - C36 H40 O16 - | 4 | 1 | SK1412 | Bolte, Michael; Degen, Alexander; Egert, Ernst | Diels–Alder adducts of maleic anhydride and dienes: new compounds by crystallization | Acta Crystallographica Section C | 2,000 | 56 | 11 | 1338 | 1342 | 10.1107/S0108270100010131 | 0.71073 | MoKα | 0.079 | 0.059 | null | null | null | 0.152 | null | null | null | null | null | 1.095 | null | null | has coordinates,has Fobs | Bolte, Michael; Degen, Alexander; Egert, Ernst
Diels–Alder adducts of maleic anhydride and dienes: new compounds by crystallization
Acta Crystallographica Section C
56(11)
(2000)
1338-1342 | 301,798 | 2025-08-19 | 6:41:47 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
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2,011,572 | 7.499 | 0.001 | 7.924 | 0.002 | 11.873 | 0.002 | 90 | null | 101.65 | 0.01 | 90 | null | 691 | 0.2 | 173 | 2 | 173 | 2 | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | 1,2,3,4,7,7-hexachlorobicyclo[2.2.1]hept-2-ene-endo-cis-5,6-dicarboxylic acid | - C9 H4 Cl6 O4 - | - C9 H4 Cl6 O4 - | - C18 H8 Cl12 O8 - | 2 | 1 | SK1412 | Bolte, Michael; Degen, Alexander; Egert, Ernst | Diels–Alder adducts of maleic anhydride and dienes: new compounds by crystallization | Acta Crystallographica Section C | 2,000 | 56 | 11 | 1338 | 1342 | 10.1107/S0108270100010131 | 0.71073 | MoKα | 0.02 | 0.019 | null | null | null | 0.048 | null | null | null | null | null | 1.044 | null | null | has coordinates,has Fobs | Bolte, Michael; Degen, Alexander; Egert, Ernst
Diels–Alder adducts of maleic anhydride and dienes: new compounds by crystallization
Acta Crystallographica Section C
56(11)
(2000)
1338-1342 | 301,798 | 2025-08-19 | 6:41:47 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
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2,011,573 | 8.443 | 0.001 | 24.809 | 0.001 | 13.594 | 0.001 | 90 | null | 90.38 | 0.01 | 90 | null | 2,847.4 | 0.4 | 173 | 2 | 173 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | 1,2,3,4,7,7-hexachlorobicyclo[2.2.1]hept-2-ene-endo-cis-5,6-dicarboxylic acid | - C9 H4 Cl6 O4 - | - C9 H4 Cl6 O4 - | - C72 H32 Cl48 O32 - | 8 | 2 | SK1412 | Bolte, Michael; Degen, Alexander; Egert, Ernst | Diels–Alder adducts of maleic anhydride and dienes: new compounds by crystallization | Acta Crystallographica Section C | 2,000 | 56 | 11 | 1338 | 1342 | 10.1107/S0108270100010131 | 0.71073 | MoKα | 0.03 | 0.026 | null | null | null | 0.061 | null | null | null | null | null | 1.142 | null | null | has coordinates,has Fobs | Bolte, Michael; Degen, Alexander; Egert, Ernst
Diels–Alder adducts of maleic anhydride and dienes: new compounds by crystallization
Acta Crystallographica Section C
56(11)
(2000)
1338-1342 | 301,798 | 2025-08-19 | 6:41:47 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
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2,011,574 | 8.616 | 0.003 | 9.281 | 0.002 | 10.46 | 0.004 | 100.53 | 0.02 | 94 | 0.02 | 95.06 | 0.02 | 816 | 0.5 | 173 | 2 | 173 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | ethyl 1,2,3,4,7,7-hexachloro-6-carboxybicyclo[2.2.1]hept-2-ene-endo-cis-5-carboxylate monohydrate | - C11 H10 Cl6 O5 - | - C11 H10 Cl6 O5 - | - C22 H20 Cl12 O10 - | 2 | 1 | SK1412 | Bolte, Michael; Degen, Alexander; Egert, Ernst | Diels–Alder adducts of maleic anhydride and dienes: new compounds by crystallization | Acta Crystallographica Section C | 2,000 | 56 | 11 | 1338 | 1342 | 10.1107/S0108270100010131 | 0.71073 | MoKα | 0.123 | 0.056 | null | null | null | 0.136 | null | null | null | null | null | 1.003 | null | null | has coordinates,has Fobs | Bolte, Michael; Degen, Alexander; Egert, Ernst
Diels–Alder adducts of maleic anhydride and dienes: new compounds by crystallization
Acta Crystallographica Section C
56(11)
(2000)
1338-1342 | 301,798 | 2025-08-19 | 6:41:47 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,011,575 | 8.9463 | 0.0001 | 21.7605 | 0.0001 | 19.0038 | 0.0002 | 90 | null | 100.69 | 0.001 | 90 | null | 3,635.38 | 0.06 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | - C42 H30 N4 Ni S4 - | - C42 H30 N4 Ni S4 - | - C168 H120 N16 Ni4 S16 - | 4 | 1 | Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Wu, Ji; Tian, Yu-Peng; Xie, Fu-Xin; Shao, Ze-Huai; Li, Sheng-Li | Intra- and intermolecular C—H...π interactions in bis[benzyl 3-(fluoren-9-ylidene)dithiocarbazato-N^3^,S]nickel(II) | Acta Crystallographica, Section C: Crystal Structure Communications | 2,000 | 56 | 11 | 1321 | 1322 | 10.1107/s0108270100011628 | 0.71073 | MoKα | 0.082 | 0.064 | null | null | null | 0.111 | null | null | null | null | null | 0.964 | null | null | has coordinates | Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Wu, Ji; Tian, Yu-Peng; Xie, Fu-Xin; Shao, Ze-Huai; Li, Sheng-Li
Intra- and intermolecular C—H...π interactions in bis[benzyl 3-(fluoren-9-ylidene)dithiocarbazato-N^3^,S]nickel(II)
Acta Crystallographica, Section C: Crystal Structure Communications
56(11)
(2000)
1321-1322 | 218,380 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2019-09-17 16:20:54 +0300 (Tue, 17 Sep 2019) $
#$Revision: 218380 $
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2,011,576 | 10.7589 | 0.0009 | 17.8696 | 0.0017 | 22.667 | 0.0018 | 90 | null | 90 | null | 90 | null | 4,357.9 | 0.7 | 294 | 1 | 294 | 1 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | - C17 H15 N O4 - | - C17 H15 N O4 - | - C204 H180 N12 O48 - | 12 | 3 | Brady, Fiona; Gallagher, John F. | Intermolecular O-H...O hydrogen bonding in the three independent molecules of (2S)-3-(4-hydroxyphenyl)-2-(1-oxoisoindolin-2-yl)propanoic acid | Acta Crystallographica, Section C | 2,000 | 56 | 1407 | 1410 | 10.1107/S010827010001163X | null | null | null | null | null | null | null | null | null | null | null | null | null | 1,100,907 | null | has coordinates | Brady, Fiona; Gallagher, John F.
Intermolecular O-H...O hydrogen bonding in the three independent molecules of (2S)-3-(4-hydroxyphenyl)-2-(1-oxoisoindolin-2-yl)propanoic acid
Acta Crystallographica, Section C
56
(2000)
1407-1410 | 287,519 | 2023-11-10 | 19:29:22 | #------------------------------------------------------------------------------
#$Date: 2023-11-10 21:21:08 +0200 (Fri, 10 Nov 2023) $
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2,011,577 | 10.9465 | 0.0011 | 18.972 | 0.002 | 11.0469 | 0.0012 | 90 | null | 110.643 | 0.002 | 90 | null | 2,146.9 | 0.4 | 160 | 2 | 160 | 2 | null | null | null | null | 5 | P 1 21 1 | P 2yb | 4 | Tris(1,3-di-t-butyl-propane-1,3-dionato)(4-dimethylaminopyridine)terbium(III) | - C40 H67 N2 O6 Tb - | - C40 H67 N2 O6 Tb - | - C80 H134 N4 O12 Tb2 - | 2 | 1 | SK1415 | Clegg, William; Sage, Ian; Oswald, Iain; Brough, Peter; Bourhill, Grant; e-mail: bgourhill@dera.gov.uk | Two isostructural triboluminescent lanthanide complexes | Acta Crystallographica Section C | 2,000 | 56 | 11 | 1323 | 1325 | 10.1107/S0108270100011641 | 0.71073 | MoKα | 0.031 | 0.029 | null | null | null | 0.054 | null | null | null | null | null | 1.186 | null | null | has coordinates,has Fobs | Clegg, William; Sage, Ian; Oswald, Iain; Brough, Peter; Bourhill, Grant; e-mail: bgourhill@dera.gov.uk
Two isostructural triboluminescent lanthanide complexes
Acta Crystallographica Section C
56(11)
(2000)
1323-1325 | 301,798 | 2025-08-19 | 6:41:47 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,011,578 | 10.9846 | 0.0005 | 18.9758 | 0.0008 | 11.0865 | 0.0005 | 90 | null | 110.833 | 0.002 | 90 | null | 2,159.8 | 0.17 | 160 | 2 | 160 | 2 | null | null | null | null | 5 | P 1 21 1 | P 2yb | 4 | Tris(1,3-di-t-butyl-propane-1,3-dionato)(4-dimethylaminopyridine)samarium(III) | - C40 H67 N2 O6 Sm - | - C40 H67 N2 O6 Sm - | - C80 H134 N4 O12 Sm2 - | 2 | 1 | SK1415 | Clegg, William; Sage, Ian; Oswald, Iain; Brough, Peter; Bourhill, Grant | Two isostructural triboluminescent lanthanide complexes | Acta Crystallographica Section C | 2,000 | 56 | 11 | 1323 | 1325 | 10.1107/S0108270100011641 | 0.71073 | MoKα | 0.037 | 0.026 | null | null | null | 0.047 | null | null | null | null | null | 0.938 | null | null | has coordinates,has Fobs | Clegg, William; Sage, Ian; Oswald, Iain; Brough, Peter; Bourhill, Grant
Two isostructural triboluminescent lanthanide complexes
Acta Crystallographica Section C
56(11)
(2000)
1323-1325 | 301,798 | 2025-08-19 | 6:41:47 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,011,579 | 14.937 | 0.003 | 9.316 | 0.005 | 18.262 | 0.002 | 90 | null | 98.877 | 0.012 | 90 | null | 2,510.8 | 1.5 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | 4,17,20-trimethoxy-2,15-dioxapentacyclo[26.2.2.1^3,7^.0^16,21^]triaconta- 1(28),3,5,7(29),10,12,14(30),16,18,20,24927),25-dodecaene | - C31 H30 O5 - | - C31 H30 O5 - | - C124 H120 O20 - | 4 | 1 | SX1103 | Mombrú, Alvaro W.; Suescun, Leopoldo; Pandolfi, Enrique; Seoane, Gustavo; López, Gloria; Mariezcurrena, Raúl | Marchantin M trimethyl ether | Acta Crystallographica Section C | 2,000 | 56 | 11 | 1374 | 1376 | 10.1107/S0108270100011173 | 0.71069 | MoKα | 0.1593 | 0.0544 | null | null | null | 0.1933 | null | null | null | null | null | 0.983 | null | null | has coordinates | Mombrú, Alvaro W.; Suescun, Leopoldo; Pandolfi, Enrique; Seoane, Gustavo; López, Gloria; Mariezcurrena, Raúl
Marchantin M trimethyl ether
Acta Crystallographica Section C
56(11)
(2000)
1374-1376 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
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2,011,580 | 17.0481 | 0.0004 | 17.0481 | 0.0004 | 13.7568 | 0.0003 | 90 | null | 90 | null | 90 | null | 3,998.24 | 0.16 | 123 | 2 | 123 | 2 | null | null | null | null | 5 | I -4 | I -4 | 82 | Tetraphenylphosphonium perchlorate | Tetraphenylphosphonium perchlorate | - C24 H20 Cl O4 P - | - C24 H20 Cl O4 P - | - C192 H160 Cl8 O32 P8 - | 8 | 1 | TA1294 | Batten, Stuart R.; Harris, Alexander R.; Murray, Keith S. | Phase change in tetraphenylphosphonium perchlorate | Acta Crystallographica Section C | 2,000 | 56 | 11 | 1394 | 1395 | 10.1107/S0108270100011562 | 0.71073 | MoKα | 0.0495 | 0.0381 | null | null | null | 0.1037 | null | null | null | null | null | 1.052 | null | null | has coordinates,has Fobs | Batten, Stuart R.; Harris, Alexander R.; Murray, Keith S.
Phase change in tetraphenylphosphonium perchlorate
Acta Crystallographica Section C
56(11)
(2000)
1394-1395 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
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2,011,581 | 10.306 | 0.003 | 12.953 | 0.004 | 28.826 | 0.009 | 90 | null | 90 | null | 90 | null | 3,848 | 2 | 163 | 2 | 163 | 2 | null | null | null | null | 5 | P 21 21 21 | P 2ac 2ab | 19 | - C36 H44 I2 O6 P2 - | - C36 H44 I2 O6 P2 - | - C144 H176 I8 O24 P8 - | 4 | 1 | TA1297 | Gainsford, Graeme J.; Lensink, Cornelis; Hart, Joanne B.; Falshaw, Andrew | 1<small>D</small>-3,4-Di-<i>O</i>-(diphenylmethylphosphonio)-1,2,5,6-tetra-<i>O</i>-methyl-<i>chiro</i>-inositol diiodide | Acta Crystallographica Section C | 2,000 | 56 | 11 | 1396 | 1398 | 10.1107/S0108270100011574 | 0.71073 | MoKα | 0.0271 | 0.0225 | null | null | null | 0.0513 | null | null | null | null | null | 1.045 | null | null | has coordinates,has Fobs | Gainsford, Graeme J.; Lensink, Cornelis; Hart, Joanne B.; Falshaw, Andrew
1<small>D</small>-3,4-Di-<i>O</i>-(diphenylmethylphosphonio)-1,2,5,6-tetra-<i>O</i>-methyl-<i>chiro</i>-inositol diiodide
Acta Crystallographica Section C
56(11)
(2000)
1396-1398 | 301,798 | 2025-08-19 | 6:41:47 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,011,582 | 8.43 | 0.001 | 10.305 | 0.003 | 12.38 | 0.002 | 89.9 | 0.02 | 82.31 | 0.01 | 68.62 | 0.01 | 991.2 | 0.4 | 293 | null | 293 | null | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C38 H56 Cu N2 P2 S4 - | - C38 H54 Cu N2 P2 S4 - | - C38 H54 Cu N2 P2 S4 - | 1 | 0.5 | TA1299 | Horn, E.; Kurosawa, K.; Tiekink, E. R. T. | Bis[<i>N</i>-phenyl(dicyclohexylthiophosphinoyl)thiomethanamido-<i>S</i>,<i>S</i>']copper(II) | Acta Crystallographica Section C | 2,000 | 56 | 11 | 1319 | 1320 | 10.1107/S0108270100011586 | 0.71073 | MoKα | null | 0.044 | null | null | null | 0.031 | null | null | null | null | null | 1.75 | null | null | has coordinates | Horn, E.; Kurosawa, K.; Tiekink, E. R. T.
Bis[<i>N</i>-phenyl(dicyclohexylthiophosphinoyl)thiomethanamido-<i>S</i>,<i>S</i>']copper(II)
Acta Crystallographica Section C
56(11)
(2000)
1319-1320 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
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2,011,583 | 12.499 | 0.002 | 13.173 | 0.002 | 14.615 | 0.003 | 85.16 | 0.02 | 79.05 | 0.02 | 66.15 | 0.02 | 2,160.7 | 0.7 | 293 | null | 293 | null | null | null | null | null | 7 | P -1 | -P 1 | 2 | - C50 H39 Cu N2 O2 P2 S2 - | - C50 H39 Cu N2 O2 P2 S2 - | - C100 H78 Cu2 N4 O4 P4 S4 - | 2 | 1 | TA1301 | Nakahodo, T.; Horn, E.; Tiekink, E.R.T. | (Benzoxazole-2-thiolato-<i>S</i>)(benzoxazole-2-thione-<i>S</i>)bis(triphenylphosphine)copper(I) | Acta Crystallographica Section C | 2,000 | 56 | 11 | 1316 | 1318 | 10.1107/S0108270100011483 | 0.71073 | MoKα | null | 0.038 | null | null | null | 0.026 | null | null | null | null | null | 1.99 | null | null | has coordinates | Nakahodo, T.; Horn, E.; Tiekink, E.R.T.
(Benzoxazole-2-thiolato-<i>S</i>)(benzoxazole-2-thione-<i>S</i>)bis(triphenylphosphine)copper(I)
Acta Crystallographica Section C
56(11)
(2000)
1316-1318 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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2,011,584 | 7.62 | 0.002 | 10.411 | 0.002 | 26.813 | 0.005 | 90 | null | 97.92 | 0.02 | 90 | null | 2,106.8 | 0.8 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | Pyrazolo[3,4-d]pyrimidine | 1-[4,6-dimethylthio-2H-pyrazolo[3,4-d]pyrimidin-2-yl]-4,6-dimethylthio-1H- pyrazolo[3,4-d]pyrimidine | - C17 H20 N8 S4 - | - C17 H20 N8 S4 - | - C68 H80 N32 S16 - | 4 | 1 | VJ1110 | Maulik, Prakas R.; Avasthi, Kamlakar; Sarkhel, Sanjay; Chandra, Tilak; Rawat, Diwan S.; Logsdon, Brad; Jacobson, Robert A. | Disappearance of intramolecular stacking due to one-atom movement or increment of a `propylene linker' in pyrazolo[3,4-<i>d</i>]pyrimidine-based flexible models | Acta Crystallographica Section C | 2,000 | 56 | 11 | 1361 | 1363 | 10.1107/S0108270100010775 | 0.71073 | MoKα | 0.0656 | 0.0519 | null | 0.1688 | null | 0.1424 | null | null | 0.836 | null | null | 0.804 | null | null | has coordinates | Maulik, Prakas R.; Avasthi, Kamlakar; Sarkhel, Sanjay; Chandra, Tilak; Rawat, Diwan S.; Logsdon, Brad; Jacobson, Robert A.
Disappearance of intramolecular stacking due to one-atom movement or increment of a `propylene linker' in pyrazolo[3,4-<i>d</i>]pyrimidine-based flexible models
Acta Crystallographica Section C
56(... | 301,798 | 2025-08-19 | 6:41:47 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,011,585 | 31.736 | 0.007 | 8.308 | 0.002 | 17.467 | 0.004 | 90 | null | 115.12 | 0.02 | 90 | null | 4,169.8 | 1.8 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | Pyrazolo[3,4-d]pyrimidine | 1-[4-(4-methoxy-6-methylthio-1H-pyrazolo[3,4-d]pyrimidin-1-yl)butyl]- 5-methyl-6-methylthio-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-4-one | - C18 H22 N8 O2 S2 - | - C18 H22 N8 O2 S2 - | - C144 H176 N64 O16 S16 - | 8 | 1 | VJ1110 | Maulik, Prakas R.; Avasthi, Kamlakar; Sarkhel, Sanjay; Chandra, Tilak; Rawat, Diwan S.; Logsdon, Brad; Jacobson, Robert A. | Disappearance of intramolecular stacking due to one-atom movement or increment of a `propylene linker' in pyrazolo[3,4-<i>d</i>]pyrimidine-based flexible models | Acta Crystallographica Section C | 2,000 | 56 | 11 | 1361 | 1363 | 10.1107/S0108270100010775 | 0.71073 | MoKα | 0.046 | 0.041 | null | null | null | 0.121 | null | null | null | null | null | 1.054 | null | null | has coordinates,has Fobs | Maulik, Prakas R.; Avasthi, Kamlakar; Sarkhel, Sanjay; Chandra, Tilak; Rawat, Diwan S.; Logsdon, Brad; Jacobson, Robert A.
Disappearance of intramolecular stacking due to one-atom movement or increment of a `propylene linker' in pyrazolo[3,4-<i>d</i>]pyrimidine-based flexible models
Acta Crystallographica Section C
56(... | 301,798 | 2025-08-19 | 6:41:47 | #------------------------------------------------------------------------------
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2,011,586 | 7.6042 | 0.0008 | 9.0007 | 0.0011 | 10.8647 | 0.0016 | 97.974 | 0.019 | 98.5 | 0.02 | 108.63 | 0.02 | 683.06 | 0.19 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | 2,2'-bipyridinium diperchlorate | 2,2'-bipyridinium diperchlorate | - C10 H10 Cl2 N2 O8 - | - C10 H10 Cl2 N2 O8 - | - C20 H20 Cl4 N4 O16 - | 2 | 1 | AV1046 | Ma, Guibin; Ilyukhin, Andrey; Glaser, Julius | 2,2'-Bipyridinium bis(perchlorate) | Acta Crystallographica Section C | 2,000 | 56 | 12 | 1473 | 1475 | 10.1107/S0108270100012452 | 0.71073 | MoKα | 0.086 | 0.048 | null | null | null | 0.148 | null | null | null | null | null | 1.014 | null | null | has coordinates | Ma, Guibin; Ilyukhin, Andrey; Glaser, Julius
2,2'-Bipyridinium bis(perchlorate)
Acta Crystallographica Section C
56(12)
(2000)
1473-1475 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/15/2011586.cif $
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2,011,587 | 11.824 | 0.002 | 17.573 | 0.002 | 11.96 | 0.002 | 90 | null | 110.24 | 0.01 | 90 | null | 2,331.6 | 0.6 | 292 | 2 | 292 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | 1,2-Diphenyl-2-(phenyldiazenyl)-2-tosylethanone | - C27 H22 N2 O3 S - | - C27 H22 N2 O3 S - | - C108 H88 N8 O12 S4 - | 4 | 1 | AV1053 | Wolf, Wojciech M. | 1,2-Diphenyl-2-(phenyldiazenyl)-2-tosylethanone, an example of a fungicide containing a sulfonyl group | Acta Crystallographica Section C | 2,000 | 56 | 12 | 1444 | 1446 | 10.1107/S0108270100011537 | 1.54178 | CuKα | 0.0564 | 0.0418 | null | null | null | 0.1329 | null | null | null | null | null | 1.034 | null | null | has coordinates,has Fobs | Wolf, Wojciech M.
1,2-Diphenyl-2-(phenyldiazenyl)-2-tosylethanone, an example of a fungicide containing a sulfonyl group
Acta Crystallographica Section C
56(12)
(2000)
1444-1446 | 301,798 | 2025-08-19 | 6:41:47 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
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2,011,588 | 12.2978 | 0.0002 | 10.9183 | 0.0002 | 30.59 | 0.0005 | 90 | null | 90 | null | 90 | null | 4,107.35 | 0.12 | 150 | 2 | 150 | 2 | null | null | null | null | 6 | P b c a | -P 2ac 2ab | 61 | - C9 H20 B10 Co2 O5 S2 - | - C9 H20 B10 Co2 O5 S2 - | - C72 H160 B80 Co16 O40 S16 - | 8 | 1 | BJ1001 | Londesborough, Michael G.S.; Bould, Jonathan; Holub, Josef; Kennedy, John D.; Thornton-Pett, Mark; Štíbr, Bohumil | [1,1,2,2-(CO)~4~-1,2-μ-(CO)-4,11-(SMe~2~)~2~-<i>closo</i>-1,2-Co~2~B~10~H~8~] | Acta Crystallographica Section C | 2,000 | 56 | 12 | 1423 | 1424 | 10.1107/S0108270100012282 | 0.71073 | MoKα | 0.0517 | 0.0316 | null | null | null | 0.0613 | null | null | null | null | null | 1.026 | null | null | has coordinates | Londesborough, Michael G.S.; Bould, Jonathan; Holub, Josef; Kennedy, John D.; Thornton-Pett, Mark; Štíbr, Bohumil
[1,1,2,2-(CO)~4~-1,2-μ-(CO)-4,11-(SMe~2~)~2~-<i>closo</i>-1,2-Co~2~B~10~H~8~]
Acta Crystallographica Section C
56(12)
(2000)
1423-1424 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/15/2011588.cif $
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2,011,589 | 17.94 | 0.003 | 8.9381 | 0.0008 | 19.8691 | 0.0016 | 90 | null | 96.121 | 0.01 | 90 | null | 3,167.8 | 0.7 | 186 | 2 | 293 | 2 | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | - C18 H36 Cr N10 O8 Pr - | - C18 H36 Cr N10 O8 Pr - | - C72 H144 Cr4 N40 O32 Pr4 - | 4 | 1 | BJ1006 | Combs, Robert A.; Farmer, J. Matt; Kautz, Jason A. | A cyanide-bridged bimetallic complex, [CrPr(CN)~6~(C~3~H~7~NO)~4~(H~2~O)~3~]·H~2~O | Acta Crystallographica Section C | 2,000 | 56 | 12 | 1420 | 1422 | 10.1107/S010827010001204X | 0.71073 | MoKα | 0.0306 | 0.0266 | null | null | null | 0.0706 | null | null | null | null | null | 1.097 | null | null | has coordinates,has Fobs | Combs, Robert A.; Farmer, J. Matt; Kautz, Jason A.
A cyanide-bridged bimetallic complex, [CrPr(CN)~6~(C~3~H~7~NO)~4~(H~2~O)~3~]·H~2~O
Acta Crystallographica Section C
56(12)
(2000)
1420-1422 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
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2,011,590 | 5.4017 | 0.0005 | 8.3903 | 0.0007 | 4.6325 | 0.0004 | 102.237 | 0.007 | 93.676 | 0.008 | 104.154 | 0.006 | 197.46 | 0.03 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 | P 1 | 1 | Diaquabis[3,7-dihydro-1H-purine-2,6-dione]lithium(I) | - C5 H7 Li N4 O4 - | - C5 H7 Li N4 O4 - | - C5 H7 Li N4 O4 - | 1 | 1 | BK1536 | Okabe, Nobuo; Tsujita, Michihiro | <i>catena</i>-Poly[[diaqualithium(I)]-μ-[9<i>H</i>-purine-2,6(1<i>H</i>,3<i>H</i>)-dionato-<i>O</i>^2^:<i>N</i>^7^]] | Acta Crystallographica Section C | 2,000 | 56 | 12 | 1418 | 1419 | 10.1107/S0108270100011999 | 0.71073 | MoKα | 0.055 | 0.032 | null | null | null | 0.096 | null | null | null | null | null | 0.868 | null | null | has coordinates,has Fobs | Okabe, Nobuo; Tsujita, Michihiro
<i>catena</i>-Poly[[diaqualithium(I)]-μ-[9<i>H</i>-purine-2,6(1<i>H</i>,3<i>H</i>)-dionato-<i>O</i>^2^:<i>N</i>^7^]]
Acta Crystallographica Section C
56(12)
(2000)
1418-1419 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
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2,011,591 | 9.166 | 0.003 | 14.603 | 0.003 | 12.192 | 0.003 | 90 | null | 97.43 | 0.02 | 90 | null | 1,618.2 | 0.7 | 296 | null | null | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | Bis(μ-pyridine-2,6-carboxylato-N,O,O':O)bis[triaquamanganese(II)]– pyridine-2,6-dicarboxylic acid (1/2) | - C28 H28 Mn2 N4 O22 - | - C28 H28 Mn2 N4 O22 - | - C56 H56 Mn4 N8 O44 - | 2 | 0.5 | BK1553 | Okabe, Nobuo; Oya, Naomi | Bis(μ-pyridine-2,6-carboxylato-<i>O</i>,<i>N</i>,<i>O</i>':<i>O</i>)bis[triaquamanganese(II)]–pyridine-2,6-dicarboxylic acid (1/2) | Acta Crystallographica Section C | 2,000 | 56 | 12 | 1416 | 1417 | 10.1107/S0108270100012786 | 0.71069 | MoKα | null | 0.037 | null | null | null | 0.122 | null | null | null | null | null | 1.101 | null | null | has coordinates,has Fobs | Okabe, Nobuo; Oya, Naomi
Bis(μ-pyridine-2,6-carboxylato-<i>O</i>,<i>N</i>,<i>O</i>':<i>O</i>)bis[triaquamanganese(II)]–pyridine-2,6-dicarboxylic acid (1/2)
Acta Crystallographica Section C
56(12)
(2000)
1416-1417 | 301,798 | 2025-08-19 | 6:41:47 | #------------------------------------------------------------------------------
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2,011,592 | 16.591 | 0.002 | 8.8487 | 0.0007 | 30.996 | 0.009 | 90 | 0.016 | 90 | 0.012 | 90 | 0.009 | 4,550.5 | 1.5 | 295 | 2 | 295 | 2 | null | null | null | null | 3 | P n a 21 | P 2c -2n | 33 | - C32 H22 O4 - | - C32 H22 O4 - | - C256 H176 O32 - | 8 | 2 | BK1564 | Potenza, Joseph A.; Emge, Thomas J.; Albaneze, Jennifer; Knapp, Spencer; Schugar, Harvey J. | A spiro-linked pyrene–naphthoquinone | Acta Crystallographica Section C | 2,000 | 56 | 12 | 1494 | 1495 | 10.1107/S0108270100012750 | 1.5418 | CuKα | 0.1253 | 0.0441 | null | null | null | 0.0847 | null | null | null | null | null | 0.99 | null | null | has coordinates | Potenza, Joseph A.; Emge, Thomas J.; Albaneze, Jennifer; Knapp, Spencer; Schugar, Harvey J.
A spiro-linked pyrene–naphthoquinone
Acta Crystallographica Section C
56(12)
(2000)
1494-1495 | 301,798 | 2025-08-19 | 6:41:47 | #------------------------------------------------------------------------------
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2,011,593 | 11.9913 | 0.0002 | 19.8605 | 0.0003 | 25.1833 | 0.0003 | 90 | null | 100.024 | 0.0009 | 90 | null | 5,905.93 | 0.15 | 150 | 2 | 150 | 2 | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | Bis{2,6-bis[3-(2,4,6-trimethylphenyl)pyrazol-1-yl-N^2^]pyridine-N}zinc(II) diperchlorate bis(nitromethane) solvate | - C60 H64 Cl2 N12 O12 Zn - | - C60 H64 Cl2 N12 O12 Zn - | - C240 H256 Cl8 N48 O48 Zn4 - | 4 | 1 | BM1431 | Malcolm A. Halcrow; Colin A. Kilner; Mark Thornton-Pett | Bis{2,6-bis[3-(2,4,6-trimethylphenyl)pyrazol-1-yl-κ<i>N</i>^2^]pyridine-κ<i>N</i>}zinc(II) diperchlorate bis(nitromethane) solvate | Acta Crystallographica Section C | 2,000 | 56 | 12 | 1425 | 1426 | 10.1107/S0108270100012981 | 0.71073 | MoKα | 0.086 | 0.048 | null | null | null | 0.136 | null | null | null | null | null | 1.039 | null | null | has coordinates,has Fobs | Malcolm A. Halcrow; Colin A. Kilner; Mark Thornton-Pett
Bis{2,6-bis[3-(2,4,6-trimethylphenyl)pyrazol-1-yl-κ<i>N</i>^2^]pyridine-κ<i>N</i>}zinc(II) diperchlorate bis(nitromethane) solvate
Acta Crystallographica Section C
56(12)
(2000)
1425-1426 | 301,798 | 2025-08-19 | 6:41:47 | #------------------------------------------------------------------------------
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2,011,594 | 9.038 | 0.002 | 19.13 | 0.004 | 9.93 | 0.002 | 90 | null | 108.79 | 0.02 | 90 | null | 1,625.4 | 0.6 | 173 | 2 | 173 | 2 | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | - C34 H28 Au2 Cl2 Fe P2 - | - C34 H28 Au2 Cl2 Fe P2 - | - C68 H56 Au4 Cl4 Fe2 P4 - | 2 | 0.5 | BM1433 | Crespo, Olga; Gimeno, M. Concepcion; Jones, Peter G.; Laguna, Antonio | Solvent-free [μ-ferrocene-1,1'-diylbis(diphenylphosphine-<i>P</i>)]bis[chlorogold(I)] | Acta Crystallographica Section C | 2,000 | 56 | 12 | 1433 | 1434 | 10.1107/S010827010001310X | 0.71073 | MoKα | 0.056 | 0.033 | null | null | null | 0.0712 | null | null | null | null | null | 0.899 | null | null | has coordinates,has Fobs | Crespo, Olga; Gimeno, M. Concepcion; Jones, Peter G.; Laguna, Antonio
Solvent-free [μ-ferrocene-1,1'-diylbis(diphenylphosphine-<i>P</i>)]bis[chlorogold(I)]
Acta Crystallographica Section C
56(12)
(2000)
1433-1434 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,011,595 | 7.748 | 0.002 | 14.164 | 0.003 | 6.268 | 0.002 | 91.54 | 0.02 | 95.3 | 0.02 | 88.25 | 0.02 | 684.4 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | Triammonium cis-diaqua-cis-dioxo-trans-disulfatovanadate hemitrihydrate | - H19 N3 O13.5 S2 V - | - H19 N3 O13.5 S2 V - | - H38 N6 O27 S4 V2 - | 2 | 1 | BR1299 | Hashimoto, Masato; Kubata, Michiru; Yagasaki, Atsushi | (NH~4~)~3~[VO~2~(SO~4~)~2~(H~2~O)~2~]·1.5H~2~O | Acta Crystallographica Section C | 2,000 | 56 | 12 | 1411 | 1412 | 10.1107/S0108270100012063 | 0.71069 | MoKα | 0.0427 | 0.0319 | null | null | null | 0.1003 | null | null | null | null | null | 1.053 | null | null | has coordinates,has Fobs | Hashimoto, Masato; Kubata, Michiru; Yagasaki, Atsushi
(NH~4~)~3~[VO~2~(SO~4~)~2~(H~2~O)~2~]·1.5H~2~O
Acta Crystallographica Section C
56(12)
(2000)
1411-1412 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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2,011,596 | 8.4915 | 0.0012 | 11.1454 | 0.0013 | 12.6558 | 0.0013 | 90 | null | 90 | null | 90 | null | 1,197.8 | 0.3 | 293 | null | null | null | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | - B4 K Li O7 - | - B4 K Li O7 - | - B32 K8 Li8 O56 - | 8 | 2 | BR1301 | Ono, Yasuhiro; Nakaya, Michiko; Kajitani, Tsuyoshi; Sugawara, Tamotsu; Watanabe, Noriko; Shiraishi, Hiroyuki; Komatsu, Ryuichi | Lithium potassium borate and lithium rubidium borate: new non-linear optical crystals | Acta Crystallographica Section C | 2,000 | 56 | 12 | 1413 | 1415 | 10.1107/S0108270100013445 | 0.71073 | MoKα | null | 0.0244 | null | null | null | 0.0553 | null | null | null | null | null | 1.123 | null | null | has coordinates,has Fobs | Ono, Yasuhiro; Nakaya, Michiko; Kajitani, Tsuyoshi; Sugawara, Tamotsu; Watanabe, Noriko; Shiraishi, Hiroyuki; Komatsu, Ryuichi
Lithium potassium borate and lithium rubidium borate: new non-linear optical crystals
Acta Crystallographica Section C
56(12)
(2000)
1413-1415 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
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2,011,597 | 8.6257 | 0.0012 | 11.2576 | 0.0013 | 12.8531 | 0.0015 | 90 | null | 90 | null | 90 | null | 1,248.1 | 0.3 | 293 | null | null | null | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | - B4 Li O7 Rb - | - B4 Li O7 Rb - | - B32 Li8 O56 Rb8 - | 8 | 2 | BR1301 | Ono, Yasuhiro; Nakaya, Michiko; Kajitani, Tsuyoshi; Sugawara, Tamotsu; Watanabe, Noriko; Shiraishi, Hiroyuki; Komatsu, Ryuichi | Lithium potassium borate and lithium rubidium borate: new non-linear optical crystals | Acta Crystallographica Section C | 2,000 | 56 | 12 | 1413 | 1415 | 10.1107/S0108270100013445 | 0.71073 | MoKα | null | 0.05 | null | null | null | 0.0754 | null | null | null | null | null | 1.198 | null | null | has coordinates,has Fobs | Ono, Yasuhiro; Nakaya, Michiko; Kajitani, Tsuyoshi; Sugawara, Tamotsu; Watanabe, Noriko; Shiraishi, Hiroyuki; Komatsu, Ryuichi
Lithium potassium borate and lithium rubidium borate: new non-linear optical crystals
Acta Crystallographica Section C
56(12)
(2000)
1413-1415 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
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2,011,598 | 11.665 | 0.003 | 10.614 | 0.002 | 11.121 | 0.004 | 90 | null | 117.8 | 0.02 | 90 | null | 1,218 | 0.6 | 100 | null | null | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | N-(2-nitrobenzenesulfonyl)-2-amino isobutyric acid | - C10 H12 N2 O6 S - | - C10 H12 N2 O6 S - | - C40 H48 N8 O24 S4 - | 4 | 1 | DA1155 | Hammarström, Lars G. J.; Zhang, Tao; Giraldés, José; McLaughlin, Mark L.; Billodeaux, Damon R.; Fronczek, Frank R. | Two <i>N</i>-<i>ortho</i>-nitrobenzenesulfonyl α,α-disubstituted amino acid adducts | Acta Crystallographica Section C | 2,000 | 56 | 12 | 1484 | 1486 | 10.1107/S0108270100012464 | 0.71073 | MoKα | null | 0.042 | null | null | null | 0.109 | null | null | null | null | null | 1.031 | null | null | has coordinates | Hammarström, Lars G. J.; Zhang, Tao; Giraldés, José; McLaughlin, Mark L.; Billodeaux, Damon R.; Fronczek, Frank R.
Two <i>N</i>-<i>ortho</i>-nitrobenzenesulfonyl α,α-disubstituted amino acid adducts
Acta Crystallographica Section C
56(12)
(2000)
1484-1486 | 301,798 | 2025-08-19 | 6:41:47 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,011,599 | 15.978 | 0.0012 | 14.984 | 0.0011 | 13.436 | 0.001 | 90 | null | 113.568 | 0.006 | 90 | null | 2,948.4 | 0.4 | 100 | null | 100 | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | N-(2-nitrobenzenesulfonyl)-1-amino-1-cyclohexane carboxylic acid | - C13 H16 N2 O6 S - | - C13 H16 N2 O6 S - | - C104 H128 N16 O48 S8 - | 8 | 2 | DA1155 | Hammarström, Lars G. J.; Zhang, Tao; Giraldés, José; McLaughlin, Mark L.; Billodeaux, Damon R.; Fronczek, Frank R. | Two <i>N</i>-<i>ortho</i>-nitrobenzenesulfonyl α,α-disubstituted amino acid adducts | Acta Crystallographica Section C | 2,000 | 56 | 12 | 1484 | 1486 | 10.1107/S0108270100012464 | 0.71073 | MoKα | 0.072 | 0.043 | null | null | null | 0.116 | null | null | null | null | null | 1.093 | null | null | has coordinates | Hammarström, Lars G. J.; Zhang, Tao; Giraldés, José; McLaughlin, Mark L.; Billodeaux, Damon R.; Fronczek, Frank R.
Two <i>N</i>-<i>ortho</i>-nitrobenzenesulfonyl α,α-disubstituted amino acid adducts
Acta Crystallographica Section C
56(12)
(2000)
1484-1486 | 301,798 | 2025-08-19 | 6:41:47 | #------------------------------------------------------------------------------
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2,011,600 | 12.225 | 0.005 | 15.052 | 0.005 | 14.135 | 0.005 | 90 | null | 91.797 | 0.005 | 90 | null | 2,599.7 | 1.6 | 168 | 2 | 168 | 2 | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | tetra-μ-acetato-O:O'-bis{[μ-1,4-bis(2-pyridyloxy)phenylene-N,C^2^:N',C^6^] dipalladium(II)} bis(trichloromethane) dihydrate | - C42 H38 Cl6 N4 O14 Pd4 - | - C42 H34 Cl6 N4 O14 Pd4 - | - C84 H68 Cl12 N8 O28 Pd8 - | 2 | 0.5 | DE1153 | O'Keefe, Brendan J.; Steel, Peter J. | Cyclometallated compounds. XV. A tetranuclear acetate-bridged cyclopalladated molecular box | Acta Crystallographica Section C | 2,000 | 56 | 12 | 1440 | 1441 | 10.1107/S0108270100011768 | 0.71073 | MoKα | 0.095 | 0.05 | null | null | null | 0.134 | null | null | null | null | null | 1.028 | null | null | has coordinates,has disorder,has Fobs | O'Keefe, Brendan J.; Steel, Peter J.
Cyclometallated compounds. XV. A tetranuclear acetate-bridged cyclopalladated molecular box
Acta Crystallographica Section C
56(12)
(2000)
1440-1441 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
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2,011,601 | 10.856 | 0.003 | 25.323 | 0.008 | 14.795 | 0.007 | 90 | null | 94.68 | 0.03 | 90 | null | 4,054 | 3 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | cis-Tetracarbonyl[bis(tricyclohexylphosphine)]molybdenum(0) | - C40 H66 Mo O4 P2 - | - C40 H66 Mo O4 P2 - | - C160 H264 Mo4 O16 P8 - | 4 | 1 | FR1291 | Cortes-Figueroa, Jose E.; Leon-Velazquez, Madeline S.; Ramos, Johanna; Jasinski, Jerry P.; Keene, David A.; Zubkowski, Jeffrey D.; Valente, Edward J. | <i>cis</i>-Tetracarbonylbis(tricyclohexylphosphine)molybdenum(0) and pentacarbonyl(tricyclohexylphosphine)molybdenum(0) | Acta Crystallographica Section C | 2,000 | 56 | 12 | 1435 | 1437 | 10.1107/S0108270100013111 | 0.71073 | MoKα | 0.127 | 0.055 | null | null | null | 0.08 | null | null | null | null | null | 0.931 | null | null | has coordinates,has Fobs | Cortes-Figueroa, Jose E.; Leon-Velazquez, Madeline S.; Ramos, Johanna; Jasinski, Jerry P.; Keene, David A.; Zubkowski, Jeffrey D.; Valente, Edward J.
<i>cis</i>-Tetracarbonylbis(tricyclohexylphosphine)molybdenum(0) and pentacarbonyl(tricyclohexylphosphine)molybdenum(0)
Acta Crystallographica Section C
56(12)
(2000)
143... | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,011,602 | 11.785 | 0.003 | 16.76 | 0.007 | 12.779 | 0.004 | 90 | null | 92.15 | 0.02 | 90 | null | 2,522.3 | 1.5 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | pentacarbonyl(tricyclohexylphosphine)molybdenum(0) | - C23 H33 Mo O5 P - | - C23 H33 Mo O5 P - | - C92 H132 Mo4 O20 P4 - | 4 | 1 | FR1291 | Cortes-Figueroa, Jose E.; Leon-Velazquez, Madeline S.; Ramos, Johanna; Jasinski, Jerry P.; Keene, David A.; Zubkowski, Jeffrey D.; Valente, Edward J. | <i>cis</i>-Tetracarbonylbis(tricyclohexylphosphine)molybdenum(0) and pentacarbonyl(tricyclohexylphosphine)molybdenum(0) | Acta Crystallographica Section C | 2,000 | 56 | 12 | 1435 | 1437 | 10.1107/S0108270100013111 | 0.71073 | MoKα | 0.074 | 0.045 | null | null | null | 0.091 | null | null | null | null | null | 0.901 | null | null | has coordinates,has disorder,has Fobs | Cortes-Figueroa, Jose E.; Leon-Velazquez, Madeline S.; Ramos, Johanna; Jasinski, Jerry P.; Keene, David A.; Zubkowski, Jeffrey D.; Valente, Edward J.
<i>cis</i>-Tetracarbonylbis(tricyclohexylphosphine)molybdenum(0) and pentacarbonyl(tricyclohexylphosphine)molybdenum(0)
Acta Crystallographica Section C
56(12)
(2000)
143... | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,011,603 | 8.767 | 0.002 | 12.228 | 0.002 | 8.6 | 0.003 | 94.12 | 0.02 | 90.07 | 0.03 | 105.44 | 0.01 | 886.2 | 0.4 | 293 | null | 293 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C17 H24 N2 O6 - | - C17 H24 N2 O6 - | - C34 H48 N4 O12 - | 2 | 1 | FR1294 | Smith, Graham; Bott, Raymond C.; Wermuth, Urs D. | The 1:1 adduct of Kemp's triacid with 2-aminopyridine | Acta Crystallographica Section C | 2,000 | 56 | 12 | 1505 | 1506 | 10.1107/S0108270100012968 | 0.7107 | MoKα | 0.115 | 0.049 | null | null | null | 0.168 | null | null | null | null | null | 1.024 | null | null | has coordinates,has Fobs | Smith, Graham; Bott, Raymond C.; Wermuth, Urs D.
The 1:1 adduct of Kemp's triacid with 2-aminopyridine
Acta Crystallographica Section C
56(12)
(2000)
1505-1506 | 301,798 | 2025-08-19 | 6:41:47 | #------------------------------------------------------------------------------
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2,011,604 | 18.6901 | 0.0019 | 10.031 | 0.002 | 17.781 | 0.002 | 90 | null | 109.91 | 0.008 | 90 | null | 3,134.3 | 0.8 | 296 | null | 296 | null | null | null | null | null | 3 | C 1 2/c 1 | -C 2yc | 15 | Cis,cis,cis-Tetramethyl 1,2,4,5-cyclohexanetetracarboxylate | - C14 H20 O8 - | - C14 H20 O8 - | - C112 H160 O64 - | 8 | 1 | FR1298 | Robinson, Paul D.; Hua, Duy H.; Fan, Jingmei; Liu, Lanzhu; McGill, James W.; Arshid, Mohammed; Meyers, Cal Y. | <i>cis</i>,<i>cis</i>,<i>cis</i>-Tetramethyl 1,2,4,5-cyclohexanetetracarboxylate | Acta Crystallographica Section C | 2,000 | 56 | 12 | 1471 | 1472 | 10.1107/S0108270100013123 | 0.71069 | MoKα | 0.184 | 0.04 | null | null | null | 0.128 | null | null | null | null | null | 0.958 | null | null | has coordinates | Robinson, Paul D.; Hua, Duy H.; Fan, Jingmei; Liu, Lanzhu; McGill, James W.; Arshid, Mohammed; Meyers, Cal Y.
<i>cis</i>,<i>cis</i>,<i>cis</i>-Tetramethyl 1,2,4,5-cyclohexanetetracarboxylate
Acta Crystallographica Section C
56(12)
(2000)
1471-1472 | 301,798 | 2025-08-19 | 6:41:47 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,011,605 | 9.73 | 0.001 | 10.661 | 0.002 | 17.898 | 0.003 | 90 | null | 90 | null | 90 | null | 1,856.6 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | 19 | (+)-Gibberellin C | (+)-2β,4aα-dihydroxy-1,7-dimethyl-8-oxo-4bβ,7α-gibbane-1α,10β- dicarboxylic acid-1,4a-lactone | - C19 H26 O7 - | - C19 H26 O7 - | - C76 H104 O28 - | 4 | 1 | FR1300 | Thompson, Hugh W.; Brunskill, Andrew P. J.; Lalancette, Roger A. | (+)-Gibberellin C: hydrogen-bonding pattern of the monohydrate of a non-racemic pentacyclic diterpenoid | Acta Crystallographica Section C | 2,000 | 56 | 12 | 1507 | 1509 | 10.1107/S0108270100013135 | 0.71073 | MoKα | 0.117 | 0.053 | null | null | null | 0.108 | null | null | null | null | null | 1.02 | null | null | has coordinates,has Fobs | Thompson, Hugh W.; Brunskill, Andrew P. J.; Lalancette, Roger A.
(+)-Gibberellin C: hydrogen-bonding pattern of the monohydrate of a non-racemic pentacyclic diterpenoid
Acta Crystallographica Section C
56(12)
(2000)
1507-1509 | 301,798 | 2025-08-19 | 6:41:47 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,011,606 | 6.0507 | 0.0005 | 9.657 | 0.0009 | 15.4541 | 0.0014 | 82.093 | 0.008 | 78.738 | 0.006 | 75.898 | 0.005 | 855.08 | 0.13 | 123 | 1 | 123 | 1 | null | null | null | null | 4 | P -1 | -P 1 | 2 | 2,2,4,4-Tetramethyl-1,5-diphenyl-6,7,8-trioxa-3-thiabicyclo[3.2.1]octane | - C20 H22 O3 S - | - C20 H22 O3 S - | - C40 H44 O6 S2 - | 2 | 1 | FR1303 | Cuthbertson, Eric; Frampton, Christopher S.; MacNicol, David D. | 2,2,4,4-Tetramethyl-1,5-diphenyl-6,7,8-trioxa-3-thiabicyclo[3.2.1]octane | Acta Crystallographica Section C | 2,000 | 56 | 12 | 1510 | 1511 | 10.1107/S0108270100013147 | 0.71073 | MoKα | 0.04 | 0.033 | null | null | null | 0.097 | null | null | null | null | null | 1.017 | null | null | has coordinates,has Fobs | Cuthbertson, Eric; Frampton, Christopher S.; MacNicol, David D.
2,2,4,4-Tetramethyl-1,5-diphenyl-6,7,8-trioxa-3-thiabicyclo[3.2.1]octane
Acta Crystallographica Section C
56(12)
(2000)
1510-1511 | 301,798 | 2025-08-19 | 6:41:47 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,011,607 | 13.908 | 0.002 | 15.3513 | 0.0018 | 7.186 | 0.0006 | 90 | null | 90 | null | 90 | null | 1,534.3 | 0.3 | 296 | null | 296 | null | null | null | null | null | 3 | C m c 21 | C 2c -2 | 36 | sp-9-methyl-9-pivaloylfluorene | - C19 H20 O - | - C19 H20 O - | - C76 H80 O4 - | 4 | 0.5 | GD1104 | Meyers, Cal Y.; Lutfi, Hisham G.; Varol, Pninit; Hou, Yuqing; Robinson, Paul D. | The surprising <i>sp</i> rotameric structure of 9-methyl-9-pivaloylfluorene | Acta Crystallographica Section C | 2,000 | 56 | 12 | 1468 | 1470 | 10.1107/S010827010001235X | 0.71069 | MoKα | 0.072 | 0.043 | null | null | null | 0.138 | null | null | null | null | null | 1.024 | null | null | has coordinates,has Fobs | Meyers, Cal Y.; Lutfi, Hisham G.; Varol, Pninit; Hou, Yuqing; Robinson, Paul D.
The surprising <i>sp</i> rotameric structure of 9-methyl-9-pivaloylfluorene
Acta Crystallographica Section C
56(12)
(2000)
1468-1470 | 301,798 | 2025-08-19 | 6:41:47 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,011,608 | 10.32 | 0.008 | 12.39 | 0.004 | 11.219 | 0.002 | 90 | null | 105.8 | 0.04 | 90 | null | 1,380 | 1 | 293 | null | 293 | null | null | null | null | null | 4 | P 1 21/a 1 | -P 2yab | 14 | - C12 H10 Cl4 O2 - | - C12 H10 Cl4 O2 - | - C48 H40 Cl16 O8 - | 4 | 1 | Coquerel, Yoann; Blanc, Aurélien; Deprés, Jean-Pierre; Greene, Andrew E.; Averbuch, Marie-Thérèse; Philouze, Christian; Durif, André | (1R,2S,3S,6R,9S)-5,5,10,10-Tetrachloro-2-methyltricyclo[7,2,0,0^3,6^] undec-7-ene-4,11-dione | Acta Crystallographica, Section C | 2,000 | 56 | 1480 | 1481 | 10.1107/S0108270100012361 | null | null | null | null | null | null | null | null | null | null | null | null | null | 2,000,072 | null | has coordinates | Coquerel, Yoann; Blanc, Aurélien; Deprés, Jean-Pierre; Greene, Andrew E.; Averbuch, Marie-Thérèse; Philouze, Christian; Durif, André
(1R,2S,3S,6R,9S)-5,5,10,10-Tetrachloro-2-methyltricyclo[7,2,0,0^3,6^] undec-7-ene-4,11-dione
Acta Crystallographica, Section C
56
(2000)
1480-1481 | 287,519 | 2023-11-10 | 19:29:22 | #------------------------------------------------------------------------------
#$Date: 2023-11-10 21:21:08 +0200 (Fri, 10 Nov 2023) $
#$Revision: 287519 $
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2,011,609 | 12.8258 | 0.0002 | 15.1039 | 0.0001 | 14.7734 | 0.0002 | 90 | null | 114.228 | 0.001 | 90 | null | 2,609.82 | 0.06 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | [Zn^2+^]~2~[μ-{11,23-dimethyl-3,7,15,19-tetraazatricyclo[19.3.1.1^9,13^] hexacosa-1(25),2,7,9,11,13(26),14,19,21,23-decaene-25,26-diolato-N^3^, N^7^,O^25^,O^26^:N^15^,N^19^,O^25^,O^26^}]^2-^ 2[ClO~4~]^-^, bis(8-methylquinoline), 2(C~2~H~5~OH) | - C48 H60 Cl2 N6 O14 Zn2 - | - C48 H60 Cl2 N6 O14 Zn2 - | - C96 H120 Cl4 N12 O28 Zn4 - | 2 | 0.5 | GG1016 | Fang, Jiang-Lin; Huang, Wei; Chantrapromma, Suchada; Shanmuga Sundara Raj, S.; Razak, Ibrahim Abdul; Fun, Hoong-Kun; Gou, Shao-Hua; Wang, Hong-Sen | A donor–acceptor compound composed of a dinuclear zinc(II) complex of a Robson macrocycle with 8-methylquinoline | Acta Crystallographica Section C | 2,000 | 56 | 12 | 1429 | 1430 | 10.1107/S0108270100012373 | 0.71073 | MoKα | 0.073 | 0.044 | null | null | null | 0.115 | null | null | null | null | null | 0.94 | null | null | has coordinates,has disorder | Fang, Jiang-Lin; Huang, Wei; Chantrapromma, Suchada; Shanmuga Sundara Raj, S.; Razak, Ibrahim Abdul; Fun, Hoong-Kun; Gou, Shao-Hua; Wang, Hong-Sen
A donor–acceptor compound composed of a dinuclear zinc(II) complex of a Robson macrocycle with 8-methylquinoline
Acta Crystallographica Section C
56(12)
(2000)
1429-1430 | 301,798 | 2025-08-19 | 6:41:47 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,011,610 | 18.526 | 0.004 | 6.96 | 0.0015 | 12.759 | 0.003 | 90 | null | 109.512 | 0.016 | 90 | null | 1,550.7 | 0.6 | 150 | 2 | 150 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | 2-Amino-5-chloro-1,3-benzoxazol-3-ium 2-[(3,4-dichlorophenyl)oxy]acetate | - C15 H11 Cl3 N2 O4 - | - C15 H11 Cl3 N2 O4 - | - C60 H44 Cl12 N8 O16 - | 4 | 1 | GG1018 | Lynch, Daniel E.; Daly, David; Parsons, Simon | 2-Amino-5-chloro-1,3-benzoxazol-3-ium 2-(3,4-dichlorophenoxy)acetate | Acta Crystallographica Section C | 2,000 | 56 | 12 | 1478 | 1479 | 10.1107/S0108270100012385 | 1.5418 | CuKα | 0.05 | 0.042 | null | null | null | 0.115 | null | null | null | null | null | 1.06 | null | null | has coordinates | Lynch, Daniel E.; Daly, David; Parsons, Simon
2-Amino-5-chloro-1,3-benzoxazol-3-ium 2-(3,4-dichlorophenoxy)acetate
Acta Crystallographica Section C
56(12)
(2000)
1478-1479 | 301,798 | 2025-08-19 | 6:41:47 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,011,611 | 8.018 | 0.008 | 20.134 | 0.013 | 7.389 | 0.008 | 90 | null | 90 | null | 90 | null | 1,192.8 | 1.9 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 21 21 21 | P 2ac 2ab | 19 | 4'-Thio-α-thymidine(R)-S-oxide | - C10 H14 N2 O5 S - | - C10 H13.604 N2 O5 S - | - C40 H54.416 N8 O20 S4 - | 4 | 1 | GS1102 | Sun, Ming; Macculloch, Alasdair C.; Hamor, Thomas A.; Walker, Richard T. | 5-Methyl-2'-deoxy-4'-thio-α-uridine (<i>R</i>)-<i>S</i>-oxide | Acta Crystallographica Section C | 2,000 | 56 | 12 | 1492 | 1493 | 10.1107/S0108270100012798 | 0.71073 | MoKa | 0.0302 | 0.0299 | null | null | 0.0821 | 0.0822 | null | null | null | 1.095 | 1.095 | 1.094 | null | null | has coordinates,has Fobs | Sun, Ming; Macculloch, Alasdair C.; Hamor, Thomas A.; Walker, Richard T.
5-Methyl-2'-deoxy-4'-thio-α-uridine (<i>R</i>)-<i>S</i>-oxide
Acta Crystallographica Section C
56(12)
(2000)
1492-1493 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/16/2011611.cif $
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2,011,612 | 5.116 | 0.0001 | 13.008 | 0.0002 | 15.189 | 0.0001 | 90 | null | 96.853 | 0.001 | 90 | null | 1,003.59 | 0.03 | 296 | 2 | 296 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | Tetraaquabis(3,5-dicarboxybenzoate-O)cobalt(II) | - C18 H18 Co O16 - | - C18 H18 Co O16 - | - C36 H36 Co2 O32 - | 2 | 0.5 | GS1105 | Guillou, Nathalie; Livage, Carine; Marrot, Jerôme; Férey, Gerard | Tetraaquabis(3,5-dicarboxybenzoato-<i>O</i>)cobalt(II) | Acta Crystallographica Section C | 2,000 | 56 | 12 | 1427 | 1428 | 10.1107/S0108270100012312 | 0.71073 | MoKα | 0.03 | 0.025 | null | null | null | 0.073 | null | null | null | null | null | 1.09 | null | null | has coordinates,has Fobs | Guillou, Nathalie; Livage, Carine; Marrot, Jerôme; Férey, Gerard
Tetraaquabis(3,5-dicarboxybenzoato-<i>O</i>)cobalt(II)
Acta Crystallographica Section C
56(12)
(2000)
1427-1428 | 301,798 | 2025-08-19 | 6:41:47 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
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#-------------------------------------------------------------------... | ||||||||||
2,011,613 | 9.665 | 0.0005 | 19.662 | 0.0009 | 11.123 | 0.002 | 90 | null | 89.602 | 0.005 | 90 | null | 2,113.7 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21 1 | P 2yb | 4 | Piv-L-Sip-L-Ala-NH^i^Pr | N-(3,3-dimethyl-1-pivaloyl-1-aza-3-sila-5-cyclopentylcarbonyl)-L-alanine isopropylamide | - C17 H33 N3 O3 Si - | - C17 H33 N3 O3 Si - | - C68 H132 N12 O12 Si4 - | 4 | 2 | GS1107 | Vivet, Bertrand; Cavelier, Florine; Martinez, Jean; Didierjean, Claude; Marraud, Michel; Aubry, Andre | A silaproline-containing dipeptide | Acta Crystallographica Section C | 2,000 | 56 | 12 | 1452 | 1454 | 10.1107/S0108270100012294 | 0.7107 | MoKα | 0.069 | 0.055 | null | null | null | 0.143 | null | null | null | null | null | 1.072 | null | null | has coordinates,has Fobs | Vivet, Bertrand; Cavelier, Florine; Martinez, Jean; Didierjean, Claude; Marraud, Michel; Aubry, Andre
A silaproline-containing dipeptide
Acta Crystallographica Section C
56(12)
(2000)
1452-1454 | 301,798 | 2025-08-19 | 6:41:47 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,011,614 | 5.6004 | 0.0002 | 11.8172 | 0.0005 | 17.865 | 0.007 | 90 | null | 98.71 | 0.16 | 90 | null | 1,168.7 | 0.7 | 150 | 2 | 150 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | 2-Hydroxyphenyl 2-methylpyrazolo[1,5-a]pyrimidin-6-yl ketone | - C14 H11 N3 O2 - | - C14 H11 N3 O2 - | - C56 H44 N12 O8 - | 4 | 1 | GS1109 | Quiroga, Jairo; Insuasty, Braulio; Abonia, Rodrigo; Mejía, Diana; Nogueras, Manuel; Sánchez, Adolfo; Cobo, Justo; Low, John Nicolson | 2-Hydroxyphenyl 2-methylpyrazolo[1,5-<i>a</i>]pyrimidin-6-yl ketone | Acta Crystallographica Section C | 2,000 | 56 | 12 | 1455 | 1456 | 10.1107/S0108270100012324 | 0.71073 | MoKα | 0.093 | 0.052 | null | null | null | 0.144 | null | null | null | null | null | 1.014 | null | null | has coordinates,has Fobs | Quiroga, Jairo; Insuasty, Braulio; Abonia, Rodrigo; Mejía, Diana; Nogueras, Manuel; Sánchez, Adolfo; Cobo, Justo; Low, John Nicolson
2-Hydroxyphenyl 2-methylpyrazolo[1,5-<i>a</i>]pyrimidin-6-yl ketone
Acta Crystallographica Section C
56(12)
(2000)
1455-1456 | 301,798 | 2025-08-19 | 6:41:47 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
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2,011,615 | 7.4978 | 0.0015 | 11.265 | 0.002 | 12.322 | 0.003 | 108.12 | 0.03 | 99.38 | 0.03 | 94.75 | 0.03 | 966 | 0.4 | 150 | 2 | 150 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | 2,4-bis(2-hydroxybenzoyl)-2,3-dihydro-1H-pyrido[2,1-b][1,3]benzothiazole | - C25 H19 N O4 S - | - C25 H19 N O4 S - | - C50 H38 N2 O8 S2 - | 2 | 1 | GS1110 | Quiroga, Jairo; Insuasty, Braulio; Abonia, Rodrigo; Hernández, Pedro; Cobo, Justo; Nogueras, Manuel; Sánchez, Adolfo; Low, John Nicolson | Weak and strong hydrogen-bonding patterns in the structure of 2,4-bis(2-hydroxybenzoyl)-2,3-dihydro-1<i>H</i>-pyrido[2,1-<i>b</i>][1,3]benzothiazole | Acta Crystallographica Section C | 2,000 | 56 | 12 | 1460 | 1461 | 10.1107/S0108270100012397 | 0.71073 | MoKα | 0.0557 | 0.0411 | null | null | null | 0.1107 | null | null | null | null | null | 1.049 | null | null | has coordinates,has Fobs | Quiroga, Jairo; Insuasty, Braulio; Abonia, Rodrigo; Hernández, Pedro; Cobo, Justo; Nogueras, Manuel; Sánchez, Adolfo; Low, John Nicolson
Weak and strong hydrogen-bonding patterns in the structure of 2,4-bis(2-hydroxybenzoyl)-2,3-dihydro-1<i>H</i>-pyrido[2,1-<i>b</i>][1,3]benzothiazole
Acta Crystallographica Section C
5... | 301,798 | 2025-08-19 | 6:41:47 | #------------------------------------------------------------------------------
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2,011,616 | 12.513 | 0.0003 | 9.4275 | 0.0003 | 10.6441 | 0.0003 | 90 | null | 90 | null | 90 | null | 1,255.65 | 0.06 | 150 | 2 | 150 | 2 | null | null | null | null | 4 | P n a 21 | P 2c -2n | 33 | 5,5-dimethyl-3-(5-methyl-1H-pyrazol-3-ylamino)cyclohex-3-en-1-one | - C12 H17 N3 O - | - C12 H17 N3 O - | - C48 H68 N12 O4 - | 4 | 1 | GS1111 | Quiroga, Jairo; Insuasty, Braulio; Abonia, Rodrigo; Mejía, Diana; Cobo, Justo; Nogueras, Manuel; Sanchez, Adolfo; Low, John Nicolson | 5,5-Dimethyl-3-(5-methyl-1<i>H</i>-pyrazol-3-ylamino)cyclohex-3-en-1-one | Acta Crystallographica Section C | 2,000 | 56 | 12 | 1457 | 1459 | 10.1107/S0108270100012300 | 0.71073 | MoKα | 0.057 | 0.048 | null | null | null | 0.122 | null | null | null | null | null | 1.053 | null | null | has coordinates,has disorder,has Fobs | Quiroga, Jairo; Insuasty, Braulio; Abonia, Rodrigo; Mejía, Diana; Cobo, Justo; Nogueras, Manuel; Sanchez, Adolfo; Low, John Nicolson
5,5-Dimethyl-3-(5-methyl-1<i>H</i>-pyrazol-3-ylamino)cyclohex-3-en-1-one
Acta Crystallographica Section C
56(12)
(2000)
1457-1459 | 301,798 | 2025-08-19 | 6:41:47 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/16/2011616.cif $
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2,011,617 | 5.025 | 0.0003 | 7.0977 | 0.0003 | 10.1196 | 0.0005 | 70.826 | 0.003 | 81.868 | 0.003 | 81.163 | 0.003 | 335.25 | 0.03 | 153 | 2 | 153 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | 2,3-Pyrazinedicarboxamide | Pyrazine-2,3-dicarboxamide | - C6 H6 N4 O2 - | - C6 H6 N4 O2 - | - C12 H12 N8 O4 - | 2 | 1 | JZ1424 | Vishweshwar, Peddy; Nangia, Ashwini; Lynch, Vincent M. | Pyrazine-2,3-dicarboxamide | Acta Crystallographica Section C | 2,000 | 56 | 12 | 1512 | 1514 | 10.1107/S0108270100013421 | 0.71073 | MoKα | 0.037 | 0.035 | null | null | null | 0.101 | null | null | null | null | null | 1.058 | null | null | has coordinates | Vishweshwar, Peddy; Nangia, Ashwini; Lynch, Vincent M.
Pyrazine-2,3-dicarboxamide
Acta Crystallographica Section C
56(12)
(2000)
1512-1514 | 301,798 | 2025-08-19 | 6:41:47 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
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2,011,618 | 8.5877 | 0.0007 | 9.7161 | 0.0017 | 11.1425 | 0.001 | 113.138 | 0.008 | 97.516 | 0.004 | 98.551 | 0.007 | 826.92 | 0.19 | 223 | 2 | 223 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | bis(μ ~2~-hydroxo)bis(diipropylgallium). 1,4,8,11-tetramethyl-1,4,8,11-tetraazacyclotetradecane | - C26 H62 Ga2 N4 O2 - | - C26 H62 Ga2 N4 O2 - | - C26 H62 Ga2 N4 O2 - | 1 | 0.5 | JZ1426 | Boag, Neil M.; Coward, Kathleen M.; Jones, Anthony C.; Pemble, Martyn E.; Thompson, J. Robin | Di-μ-hydroxo-bis(diisopropylgallium)‒1,4,8,11-tetramethyl-1,4,8,11-tetraazacyclotetradecane (1/1) | Acta Crystallographica Section C | 2,000 | 56 | 12 | 1438 | 1439 | 10.1107/S0108270100012816 | 0.71073 | MoKα | 0.0319 | 0.0263 | null | 0.0654 | null | 0.0654 | null | null | 1.036 | null | null | 1.036 | null | null | has coordinates | Boag, Neil M.; Coward, Kathleen M.; Jones, Anthony C.; Pemble, Martyn E.; Thompson, J. Robin
Di-μ-hydroxo-bis(diisopropylgallium)‒1,4,8,11-tetramethyl-1,4,8,11-tetraazacyclotetradecane (1/1)
Acta Crystallographica Section C
56(12)
(2000)
1438-1439 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/16/2011618.cif $
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2,011,619 | 5.0955 | 0.0003 | 13.2155 | 0.0007 | 20.167 | 0.0011 | 90 | null | 90 | null | 90 | null | 1,358.04 | 0.13 | 150 | 2 | 150 | 2 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | L-Phenylalanyl-L-valine | - C14 H20 N2 O3 - | - C14 H20 N2 O3 - | - C56 H80 N8 O12 - | 4 | 1 | JZ1429 | Görbitz, Carl Henrik | An NH~3~^+^···phenyl interaction in <small>L</small>-phenylalanyl-<small>L</small>-valine | Acta Crystallographica Section C | 2,000 | 56 | 12 | 1496 | 1498 | 10.1107/S0108270100012762 | 0.71073 | MoKα | 0.03 | 0.0277 | null | null | null | 0.0703 | null | null | null | null | null | 1.056 | null | null | has coordinates,has Fobs | Görbitz, Carl Henrik
An NH~3~^+^···phenyl interaction in <small>L</small>-phenylalanyl-<small>L</small>-valine
Acta Crystallographica Section C
56(12)
(2000)
1496-1498 | 301,798 | 2025-08-19 | 6:41:47 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,011,620 | 10.53 | 0.004 | 11.873 | 0.003 | 8.798 | 0.004 | 90.76 | 0.04 | 113.31 | 0.04 | 112.05 | 0.02 | 919.2 | 0.7 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | p-Toluenesulfon-(2-p-tolylthio)anilide | 4-methyl-N-[2-(p-tolylsulfanyl)phenyl]benzenesulfonamide | - C20 H19 N O2 S2 - | - C20 H19 N O2 S2 - | - C40 H38 N2 O4 S4 - | 2 | 1 | OA1105 | Banerjee, Surajit; Mukherjee, Alok K.; Nandi, Bidisha; Kundu, Nitya G.; Helliwell, Madeleine | 4-Methyl-<i>N</i>-[2-(<i>p</i>-tolylsulfanyl)phenyl]benzenesulfonamide | Acta Crystallographica Section C | 2,000 | 56 | 12 | 1490 | 1491 | 10.1107/S0108270100012725 | 1.5418 | CuKα | 0.0645 | 0.0494 | null | null | null | 0.1467 | null | null | null | null | null | 1.031 | null | null | has coordinates | Banerjee, Surajit; Mukherjee, Alok K.; Nandi, Bidisha; Kundu, Nitya G.; Helliwell, Madeleine
4-Methyl-<i>N</i>-[2-(<i>p</i>-tolylsulfanyl)phenyl]benzenesulfonamide
Acta Crystallographica Section C
56(12)
(2000)
1490-1491 | 301,798 | 2025-08-19 | 6:41:47 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
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2,011,621 | 11.331 | 0.003 | 10.183 | 0.002 | 9.962 | 0.002 | 90 | null | 90 | null | 90 | null | 1,149.5 | 0.4 | 296.2 | null | null | null | null | null | null | null | 3 | I b a m | -I 2 2c | 72 | - C14 H10 N4 - | - C14 H10 N4 - | - C56 H40 N16 - | 4 | 0.25 | QA0384 | Sakamoto, Jun; Nakagawa, Takashi; Kanehisa, Nobuko; Kai, Yasushi; Katsura, Masahiro | 1<i>H</i>,1'<i>H</i>-2,2'-Bibenzimidazole | Acta Crystallographica Section C | 2,000 | 56 | 12 | e596 | e597 | 10.1107/S0108270100014761 | 0.7107 | MoKα | null | 0.0425 | null | null | null | 0.1274 | null | null | null | null | null | 1.061 | null | null | has coordinates,has Fobs | Sakamoto, Jun; Nakagawa, Takashi; Kanehisa, Nobuko; Kai, Yasushi; Katsura, Masahiro
1<i>H</i>,1'<i>H</i>-2,2'-Bibenzimidazole
Acta Crystallographica Section C
56(12)
(2000)
e596-e597 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
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2,011,622 | 8.3083 | 0.0007 | 11.5075 | 0.0009 | 13.36 | 0.002 | 90 | null | 96.034 | 0.009 | 90 | null | 1,270.2 | 0.2 | 225 | 2 | 225 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C6 H19 Cl2 N3 Ti - | - C6 H19 Cl2 N3 Ti - | - C24 H76 Cl8 N12 Ti4 - | 4 | 1 | QA0394 | Kirschbaum, Kristin; Conrad, Olaf; Giolando, Dean M. | The pentacoordinate titanium complex [TiCl~2~(NMe~2~)~2~(HNMe~2~)] | Acta Crystallographica Section C | 2,000 | 56 | 12 | e541 | e541 | 10.1107/S0108270100014773 | 0.71073 | MoKα | 0.048 | 0.03 | null | null | null | 0.04 | null | null | null | null | null | 1.294 | null | null | has coordinates,has Fobs | Kirschbaum, Kristin; Conrad, Olaf; Giolando, Dean M.
The pentacoordinate titanium complex [TiCl~2~(NMe~2~)~2~(HNMe~2~)]
Acta Crystallographica Section C
56(12)
(2000)
e541-e541 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
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2,011,623 | 15.87 | 0.001 | 7.3481 | 0.0008 | 14.262 | 0.001 | 90 | null | 102.032 | 0.005 | 90 | null | 1,626.6 | 0.2 | 298.2 | null | 298.2 | null | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | lansoprazole | 2-({[3-methyl-4-(2,2,2-trifluroethoxy)-2-pyridinyl]methyl}- sulfinyl)-1H-benzimidazole | - C16 H14 F3 N3 O2 S - | - C16 H14 F3 N3 O2 S - | - C64 H56 F12 N12 O8 S4 - | 4 | 1 | QA0397 | Vyas, K.; Sivalakshmidevi, A.; Om Reddy, G. | Lansoprazole, an antiulcerative drug | Acta Crystallographica Section C | 2,000 | 56 | 12 | e572 | e573 | 10.1107/S0108270100014943 | 1.5418 | CuKα | 0.049 | 0.047 | null | 0.078 | null | 0.077 | null | null | 1.916 | null | null | 1.939 | null | null | has coordinates,has Fobs | Vyas, K.; Sivalakshmidevi, A.; Om Reddy, G.
Lansoprazole, an antiulcerative drug
Acta Crystallographica Section C
56(12)
(2000)
e572-e573 | 301,798 | 2025-08-19 | 6:41:47 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/16/2011623.cif $
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2,011,624 | 11.735 | 0.001 | 9.775 | 0.001 | 20.695 | 0.002 | 90 | null | 90 | null | 90 | null | 2,373.9 | 0.4 | 150 | 2 | 150 | 2 | null | null | null | null | 4 | P b c a | -P 2ac 2ab | 61 | 1-(1,3-Dithian-2-yl)-2-phenylethanone | - C12 H14 O S2 - | - C12 H14 O S2 - | - C96 H112 O8 S16 - | 8 | 1 | QA0403 | Batsanov, Andrei S.; Howard, Judith A. K.; O'Hagan, David; Tavasli, Mustafa | 1-(1,3-Dithian-2-yl)-2-phenylethanone | Acta Crystallographica Section C | 2,000 | 56 | 12 | e567 | e568 | 10.1107/S0108270100014785 | 0.71073 | MoKα | 0.036 | 0.03 | null | null | null | 0.08 | null | null | null | null | null | 1.094 | null | null | has coordinates,has Fobs | Batsanov, Andrei S.; Howard, Judith A. K.; O'Hagan, David; Tavasli, Mustafa
1-(1,3-Dithian-2-yl)-2-phenylethanone
Acta Crystallographica Section C
56(12)
(2000)
e567-e568 | 301,798 | 2025-08-19 | 6:41:47 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
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2,011,625 | 11.385 | 0.002 | 9.951 | 0.002 | 20.745 | 0.004 | 90 | null | 92.72 | 0.03 | 90 | null | 2,347.6 | 0.8 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | [Cd(phen)(tren)](NO~3~)~2~(H~2~O) | (1,10-phenanthroline)[tris(2-aminoethyl)amine]cadmium(II) dinitrate hydrate | - C18 H28 Cd N8 O7 - | - C18 H28 Cd N8 O7 - | - C72 H112 Cd4 N32 O28 - | 4 | 1 | QA0409 | Zhang, Hao; Cai, Jiwen; Yang, Guang; Xue, Gen-Qiang; Ji, Liang-Nian | A supramolecular cadmium(II) complex: (1,10-phenanthroline)[tris(2-aminoethyl)amine]cadmium(II) dinitrate hydrate | Acta Crystallographica Section C | 2,000 | 56 | 12 | e562 | e563 | 10.1107/S0108270100016279 | 0.71073 | MoKα | 0.035 | 0.03 | null | null | null | 0.087 | null | null | null | null | null | 1.096 | null | null | has coordinates,has Fobs | Zhang, Hao; Cai, Jiwen; Yang, Guang; Xue, Gen-Qiang; Ji, Liang-Nian
A supramolecular cadmium(II) complex: (1,10-phenanthroline)[tris(2-aminoethyl)amine]cadmium(II) dinitrate hydrate
Acta Crystallographica Section C
56(12)
(2000)
e562-e563 | 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/2/01/16/2011625.cif $
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2,011,626 | 8.854 | 0.001 | 12.122 | 0.001 | 17.708 | 0.002 | 90 | null | 90 | null | 90 | null | 1,900.6 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | 19 | eudesmane sesquiterpenoid | 3β-angloyloxy-4αacetoxy-5αH-furanoeudesmane | - C22 H30 O5 - | - C22 H30 O5 - | - C88 H120 O20 - | 4 | 1 | QA0410 | Wang, Qiguang; Ma, Chunling; Zhai, Jianjun | Furanoeudesmane-B, a new eudesmane sesquiterpenoid from <i>Myoporum bontioides</i> | Acta Crystallographica Section C | 2,000 | 56 | 12 | e569 | e569 | 10.1107/S0108270100014797 | 0.71073 | MoKα | 0.056 | 0.04 | null | 0.039 | null | 0.039 | null | null | 1.421 | null | null | 1.421 | null | null | has coordinates | Wang, Qiguang; Ma, Chunling; Zhai, Jianjun
Furanoeudesmane-B, a new eudesmane sesquiterpenoid from <i>Myoporum bontioides</i>
Acta Crystallographica Section C
56(12)
(2000)
e569-e569 | 201,957 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-10-13 03:48:21 +0300 (Fri, 13 Oct 2017) $
#$Revision: 201957 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/16/2011626.cif $
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2,011,627 | 18.085 | 0.0006 | 6.067 | 0.0002 | 15.983 | 0.0006 | 90 | null | 113.28 | 0.002 | 90 | null | 1,610.9 | 0.1 | 120 | null | 120 | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | Ethyl 2-Benzyl-2-nitro-3-phenylpropanoate | - C18 H19 N O4 - | - C18 H19 N O4 - | - C72 H76 N4 O16 - | 4 | 1 | QA0411 | Miller, Tod J.; Fu, Yanwen; Fronczek, Frank R.; Hammer, Robert P. | Ethyl 2-benzyl-2-nitro-3-phenylpropanoate | Acta Crystallographica Section C | 2,000 | 56 | 12 | e574 | e575 | 10.1107/S0108270100014955 | 0.71073 | MoKα | 0.064 | 0.039 | null | null | null | 0.094 | null | null | null | null | null | 1.037 | null | null | has coordinates,has Fobs | Miller, Tod J.; Fu, Yanwen; Fronczek, Frank R.; Hammer, Robert P.
Ethyl 2-benzyl-2-nitro-3-phenylpropanoate
Acta Crystallographica Section C
56(12)
(2000)
e574-e575 | 301,798 | 2025-08-19 | 6:41:47 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/16/2011627.cif $
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2,011,628 | 6.559 | 0.0011 | 23.134 | 0.005 | 6.746 | 0.0012 | 90 | null | 119.071 | 0.015 | 90 | null | 894.7 | 0.3 | 293 | 2 | null | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | - C10 H26 N4 O12 - | - C10 H26 N4 O12 - | - C20 H52 N8 O24 - | 2 | 0.5 | QA0416 | Bergstrom, Christina L.; Luck, Rudy L.; Luehrs, Dean C. | Tetraammonium benzene-1,2,4,5-tetracarboxylate tetrahydrate | Acta Crystallographica Section C | 2,000 | 56 | 12 | e591 | e591 | 10.1107/S0108270100015687 | 0.71069 | MoKα | null | 0.039 | null | null | null | 0.104 | null | null | null | null | null | 1.074 | null | null | has coordinates,has Fobs | Bergstrom, Christina L.; Luck, Rudy L.; Luehrs, Dean C.
Tetraammonium benzene-1,2,4,5-tetracarboxylate tetrahydrate
Acta Crystallographica Section C
56(12)
(2000)
e591-e591 | 301,798 | 2025-08-19 | 6:41:47 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/16/2011628.cif $
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2,011,629 | 11.13 | 0.002 | 11.732 | 0.002 | 12.258 | 0.002 | 99.66 | 0.02 | 110.34 | 0.01 | 110.23 | 0.01 | 1,330.6 | 0.5 | 193 | 2 | 193 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C46 H68 N6 Ni3 O16 - | - C46 H68 N6 Ni3 O16 - | - C46 H68 N6 Ni3 O16 - | 1 | 0.5 | QA0417 | Martin, Cassandra J.; Hockless, David C. R.; Taylor, Max R.; Martin, Lisandra L. | Bis(di-μ-acetato-aqua{2-[<i>N</i>-ethyl-<i>N</i>-(2-hydroxy-4-methylbenzyl)aminomethyl]-1-methylbenzimidazole}nickel)nickel(II) tetrahydrate | Acta Crystallographica Section C | 2,000 | 56 | 12 | e549 | e549 | 10.1107/S0108270100014967 | 1.5418 | CuKα | 0.099 | 0.058 | null | 0.053 | null | 0.047 | null | null | 1.927 | null | null | 1.75 | null | null | has coordinates | Martin, Cassandra J.; Hockless, David C. R.; Taylor, Max R.; Martin, Lisandra L.
Bis(di-μ-acetato-aqua{2-[<i>N</i>-ethyl-<i>N</i>-(2-hydroxy-4-methylbenzyl)aminomethyl]-1-methylbenzimidazole}nickel)nickel(II) tetrahydrate
Acta Crystallographica Section C
56(12)
(2000)
e549-e549 | 301,798 | 2025-08-19 | 6:41:47 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/16/2011629.cif $
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2,011,630 | 4.5377 | 0.0002 | 6.9065 | 0.0002 | 12.3009 | 0.0005 | 90 | null | 90.372 | 0.002 | 90 | null | 385.5 | 0.03 | 200 | 0.1 | null | null | null | null | null | null | 3 | P 1 21 1 | P 2yb | 4 | - C8 H10 O3 - | - C8 H10 O3 - | - C16 H20 O6 - | 2 | 1 | QA0418 | Harper, James K.; Arif, Atta M.; Li, J. Y.; Strobel, Gary; Grant, David M. | Terrein | Acta Crystallographica Section C | 2,000 | 56 | 12 | e570 | e571 | 10.1107/S0108270100014803 | 0.71073 | MoKα | null | 0.035 | null | null | null | 0.09 | null | null | null | null | null | 1.049 | null | null | has coordinates,has Fobs | Harper, James K.; Arif, Atta M.; Li, J. Y.; Strobel, Gary; Grant, David M.
Terrein
Acta Crystallographica Section C
56(12)
(2000)
e570-e571 | 301,798 | 2025-08-19 | 6:41:47 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
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2,011,631 | 15.995 | 0.002 | 6.865 | 0.001 | 21.934 | 0.005 | 90 | null | 94.16 | 0.02 | 90 | null | 2,402.1 | 0.7 | 213 | 2 | 213 | 2 | null | null | null | null | 4 | I 1 2 1 | I 2y | 5 | - C11 H13 N3 O4 - | - C11 H13 N3 O4 - | - C88 H104 N24 O32 - | 8 | 2 | QA0419 | Swenson, Dale C.; Nair, Vasu; Bera, Sanjib | A dideoxydidehydronucleoside derivative | Acta Crystallographica Section C | 2,000 | 56 | 12 | e600 | e601 | 10.1107/S0108270100017005 | 0.71073 | MoKα | 0.058 | 0.035 | null | null | null | 0.098 | null | null | null | null | null | 1.095 | null | null | has coordinates,has Fobs | Swenson, Dale C.; Nair, Vasu; Bera, Sanjib
A dideoxydidehydronucleoside derivative
Acta Crystallographica Section C
56(12)
(2000)
e600-e601 | 301,798 | 2025-08-19 | 6:41:47 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/16/2011631.cif $
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2,011,632 | 15.1607 | 0.0007 | 12.786 | 0.0009 | 23.316 | 0.001 | 90 | null | 90 | null | 90 | null | 4,519.7 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 7 | P b c a | -P 2ac 2ab | 61 | - C30 H52 Cu2 F12 N10 O2 P2 - | - C30 H52 Cu2 F12 N10 O2 P2 - | - C120 H208 Cu8 F48 N40 O8 P8 - | 4 | 0.5 | QA0421 | Kim, Jun Hwan; Roh, Soo-Gyun; Jeong, Jong Hwa | Di-μ-methoxo-bis({<i>N</i>,<i>N</i>'-bis[2-(3,5-dimethylpyrazol-1-yl)ethyl]amine-κ^3^<i>N</i>}copper(II)) bis(hexafluorophosphate) | Acta Crystallographica Section C | 2,000 | 56 | 12 | e543 | e544 | 10.1107/S0108270100014815 | 0.71073 | MoKα | 0.149 | 0.069 | null | null | null | 0.189 | null | null | null | null | null | 1.38 | null | null | has coordinates,has disorder,has Fobs | Kim, Jun Hwan; Roh, Soo-Gyun; Jeong, Jong Hwa
Di-μ-methoxo-bis({<i>N</i>,<i>N</i>'-bis[2-(3,5-dimethylpyrazol-1-yl)ethyl]amine-κ^3^<i>N</i>}copper(II)) bis(hexafluorophosphate)
Acta Crystallographica Section C
56(12)
(2000)
e543-e544 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/16/2011632.cif $
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2,011,633 | 19.096 | 0.003 | 19.096 | 0.003 | 19.096 | 0.003 | 90 | null | 90 | null | 90 | null | 6,963.5 | 1.9 | 120 | 2 | 120 | 2 | null | null | null | null | 6 | P 21 3 | P 2ac 2ab 3 | 198 | - C70 H77 Li O4 S9 Ti2 - | - C69.96 H76.92 Li O3.99 S9 Ti2 - | - C279.84 H307.68 Li4 O15.96 S36 Ti8 - | 4 | 0.333333 | QA0422 | Puke, Carsten; Schmengler, Kai; Kirschbaum, Kristin; Conrad, Olaf; Giolando, Dean M. | The titanium‒thiolate complex [Li(C~4~H~8~O)~4~][Ti~2~(SC~6~H~5~)~9~] | Acta Crystallographica Section C | 2,000 | 56 | 12 | e542 | e542 | 10.1107/S0108270100014979 | 0.71073 | MoKα | 0.0699 | 0.0462 | null | null | null | 0.1269 | null | null | null | null | null | 0.981 | null | null | has coordinates,has disorder,has Fobs | Puke, Carsten; Schmengler, Kai; Kirschbaum, Kristin; Conrad, Olaf; Giolando, Dean M.
The titanium‒thiolate complex [Li(C~4~H~8~O)~4~][Ti~2~(SC~6~H~5~)~9~]
Acta Crystallographica Section C
56(12)
(2000)
e542-e542 | 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/2/01/16/2011633.cif $
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2,011,634 | 7.5279 | 0.0003 | 10.4817 | 0.0004 | 24.7865 | 0.0011 | 90 | null | 90 | null | 90 | null | 1,955.78 | 0.14 | 173 | 2 | 173 | 2 | null | null | null | null | 6 | P 21 21 21 | P 2ac 2ab | 19 | - C9 H21 Br4 N O Sn2 - | - C9 H21 Br4 N O Sn2 - | - C36 H84 Br16 N4 O4 Sn8 - | 4 | 1 | QA0424 | König, Uwe-Christoph; Berkei, Michael; Hirsch, Claudia; Preut, Hans; Mitchell, Terence Nigel | Bromodimethyl(<i>N</i>-methylpyrrolidin-2-one-<i>O</i>)tin(IV)-di-μ-bromo-bromodimethyltin(IV) | Acta Crystallographica Section C | 2,000 | 56 | 12 | e550 | e551 | 10.1107/S0108270100014980 | 0.71069 | MoKα | 0.06 | 0.036 | null | null | null | 0.065 | null | null | null | null | null | 0.903 | null | null | has coordinates,has Fobs | König, Uwe-Christoph; Berkei, Michael; Hirsch, Claudia; Preut, Hans; Mitchell, Terence Nigel
Bromodimethyl(<i>N</i>-methylpyrrolidin-2-one-<i>O</i>)tin(IV)-di-μ-bromo-bromodimethyltin(IV)
Acta Crystallographica Section C
56(12)
(2000)
e550-e551 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/16/2011634.cif $
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2,011,635 | 8.307 | 0.0005 | 8.9554 | 0.0004 | 14.3472 | 0.0008 | 80.407 | 0.003 | 84.441 | 0.002 | 63.194 | 0.002 | 939.02 | 0.09 | 100 | null | 100 | null | null | null | null | null | 3 | P -1 | -P 1 | 2 | decabromodiphenyl ether | 1-(2,3,4,5,6-pentabromophenoxy)-2,3,4,5,6-pentabromobenzene | - C12 Br10 O - | - C12 Br10 O - | - C24 Br20 O2 - | 2 | 1 | QA0425 | Mrse, Anthony A.; Watkins, Steven F.; Fronczek, Frank R. | Rerefinement of decabromodiphenyl ether from new area-detector data | Acta Crystallographica Section C | 2,000 | 56 | 12 | e576 | e577 | 10.1107/S0108270100015699 | 0.71073 | MoKα | 0.117 | 0.043 | null | null | null | 0.085 | null | null | null | null | null | 0.892 | null | null | has coordinates,has Fobs | Mrse, Anthony A.; Watkins, Steven F.; Fronczek, Frank R.
Rerefinement of decabromodiphenyl ether from new area-detector data
Acta Crystallographica Section C
56(12)
(2000)
e576-e577 | 301,798 | 2025-08-19 | 6:41:47 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/16/2011635.cif $
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2,011,636 | 9.3674 | 0.0003 | 11.0111 | 0.0003 | 13.6724 | 0.0004 | 94.198 | 0.001 | 92.139 | 0.001 | 98.968 | 0.001 | 1,387.57 | 0.07 | 293 | 2 | 293 | 2 | null | null | null | null | 9 | P -1 | -P 1 | 2 | Chloro[eta^6^:eta^1^:eta^1^-{1-(3-(2-(diphenylphosphanyl)ethyl)benzyl) -3,5-dimethyl-1H-pyrazole}]ruthenium(II) trifluoromethanesulfonate | - C27 H27 Cl F3 N2 O3 P Ru S - | - C27 H27 Cl F3 N2 O3 P Ru S - | - C54 H54 Cl2 F6 N4 O6 P2 Ru2 S2 - | 2 | 1 | QA0428 | Therrien, Bruno; Ward, Thomas R. | Chloro(1-{3-[2-(diphenylphosphanyl-κ<i>P</i>)ethyl]-η^6^-benzyl}-3,5-dimethyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)ruthenium(II) trifluoromethanesulfonate | Acta Crystallographica Section C | 2,000 | 56 | 12 | e561 | e561 | 10.1107/S0108270100015705 | 0.71073 | MoKα | 0.075 | 0.051 | null | null | null | 0.12 | null | null | null | null | null | 1.183 | null | null | has coordinates,has Fobs | Therrien, Bruno; Ward, Thomas R.
Chloro(1-{3-[2-(diphenylphosphanyl-κ<i>P</i>)ethyl]-η^6^-benzyl}-3,5-dimethyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)ruthenium(II) trifluoromethanesulfonate
Acta Crystallographica Section C
56(12)
(2000)
e561-e561 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
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2,011,637 | 10.004 | 0.002 | 17.151 | 0.004 | 14.472 | 0.003 | 90 | null | 101.06 | 0.02 | 90 | null | 2,437 | 0.9 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | tris-(2-benzoylamino-ethyl)amine | - C27 H30 N4 O3 - | - C27 H30 N4 O3 - | - C108 H120 N16 O12 - | 4 | 1 | QA0433 | Goldcamp, Michael J.; Krause Bauer, Jeanette A.; Baldwin, Michael J. | Tris[2-(benzoylamino)ethyl]amine | Acta Crystallographica Section C | 2,000 | 56 | 12 | e602 | e603 | 10.1107/S0108270100017017 | 0.71073 | MoKα | 0.146 | 0.059 | null | null | null | 0.165 | null | null | null | null | null | 1.004 | null | null | has coordinates,has Fobs | Goldcamp, Michael J.; Krause Bauer, Jeanette A.; Baldwin, Michael J.
Tris[2-(benzoylamino)ethyl]amine
Acta Crystallographica Section C
56(12)
(2000)
e602-e603 | 301,798 | 2025-08-19 | 6:41:47 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
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2,011,638 | 12.282 | 0.003 | 12.407 | 0.003 | 4.2191 | 0.0008 | 90 | null | 95.55 | 0.03 | 90 | null | 639.9 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | C 1 2/m 1 | -C 2y | 12 | - C10 H8 Br2 N2 Pb - | - C10 H8 Br2 N2 Pb - | - C20 H16 Br4 N4 Pb2 - | 2 | 0.25 | QA0434 | Cui, Yong; Ren, Jing; Chen, Gang; Yu, Weichao; Qian, Yitai | Poly[lead(II)-μ-4,4-bipyridine-<i>N</i>:<i>N</i>'-di-μ-bromo] | Acta Crystallographica Section C | 2,000 | 56 | 12 | e552 | e553 | 10.1107/S0108270100014992 | 0.71073 | MoKα | 0.049 | 0.048 | null | null | null | 0.128 | null | null | null | null | null | 1.108 | null | null | has coordinates,has Fobs | Cui, Yong; Ren, Jing; Chen, Gang; Yu, Weichao; Qian, Yitai
Poly[lead(II)-μ-4,4-bipyridine-<i>N</i>:<i>N</i>'-di-μ-bromo]
Acta Crystallographica Section C
56(12)
(2000)
e552-e553 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/16/2011638.cif $
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2,011,639 | 6.371 | 0.004 | 8.824 | 0.008 | 34.303 | 0.01 | 90 | null | 90 | null | 90 | null | 1,928 | 2 | 293 | null | 293 | null | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | - C19 H28 N2 O4 - | - C19 H28 N2 O4 - | - C76 H112 N8 O16 - | 4 | 1 | QA0435 | Fountoulaki, Fani; Renate Geßmann; Hans Brückner; Kokkinidis, Michael | The peptide (<i>Z</i>)-Pro–Leuol | Acta Crystallographica Section C | 2,000 | 56 | 12 | e578 | e579 | 10.1107/S010827010001502X | 1.5418 | CuKα | 0.117 | 0.067 | null | 0.093 | null | 0.093 | null | null | 1.995 | null | null | 1.995 | null | null | has coordinates,has Fobs | Fountoulaki, Fani; Renate Geßmann; Hans Brückner; Kokkinidis, Michael
The peptide (<i>Z</i>)-Pro–Leuol
Acta Crystallographica Section C
56(12)
(2000)
e578-e579 | 301,798 | 2025-08-19 | 6:41:47 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/16/2011639.cif $
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2,011,640 | 7.419 | 0.004 | 7.522 | 0.004 | 21.814 | 0.008 | 90 | null | 90 | null | 90 | null | 1,217.3 | 1 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | 4-Acetyl-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazole-3-one hydrate | - C12 H14 N2 O3 - | - C12 H14 N2 O3 - | - C48 H56 N8 O12 - | 4 | 1 | QA0436 | Gloe, Karsten; Uzoukwu, Bieluonwu A.; Rademacher, Otto; 4-Acetyl-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazole-3-one hydrate | 4-Acetyl-5-methyl-2-phenyl-1,2-dihydro-3<i>H</i>-pyrazol-3-one hydrate | Acta Crystallographica Section C | 2,000 | 56 | 12 | e580 | e581 | 10.1107/S0108270100015031 | 0.71073 | MoKα | 0.042 | 0.037 | null | null | null | 0.103 | null | null | null | null | null | 1.059 | null | null | has coordinates | Gloe, Karsten; Uzoukwu, Bieluonwu A.; Rademacher, Otto; 4-Acetyl-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazole-3-one hydrate
4-Acetyl-5-methyl-2-phenyl-1,2-dihydro-3<i>H</i>-pyrazol-3-one hydrate
Acta Crystallographica Section C
56(12)
(2000)
e580-e581 | 301,798 | 2025-08-19 | 6:41:47 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/16/2011640.cif $
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2,011,641 | 7.0198 | 0.0002 | 12.0153 | 0.0005 | 24.669 | 0.002 | 90 | null | 90 | null | 90 | null | 2,080.7 | 0.2 | 293 | null | null | null | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | 5α-9(11)(16)-pregnadien-3β-ol-20-oxime acetate | - C23 H33 N O3 - | - C23 H33 N O3 - | - C92 H132 N4 O12 - | 4 | 1 | QA0437 | Novoa de Armas, Héctor; Peeters, Oswald M.; Blaton, Norbert M.; De Ranter, Camiel J.; Ruíz Garcia, José A.; Reyes Moreno, Mayra; Alvarez Ginarte, Yoanna M. | 20-Hydroxyimino-5α-pregna-9(11),16-dien-3β-yl acetate and 17-oxo-5α-androst-9(11)-en-3β-yl acetate | Acta Crystallographica Section C | 2,000 | 56 | 12 | e582 | e583 | 10.1107/S0108270100015043 | 1.5418 | CuKα | 0.0459 | 0.0389 | null | 0.111 | null | 0.111 | null | null | 1.057 | null | null | 1.057 | null | null | has coordinates,has Fobs | Novoa de Armas, Héctor; Peeters, Oswald M.; Blaton, Norbert M.; De Ranter, Camiel J.; Ruíz Garcia, José A.; Reyes Moreno, Mayra; Alvarez Ginarte, Yoanna M.
20-Hydroxyimino-5α-pregna-9(11),16-dien-3β-yl acetate and 17-oxo-5α-androst-9(11)-en-3β-yl acetate
Acta Crystallographica Section C
56(12)
(2000)
e582-e583 | 301,798 | 2025-08-19 | 6:41:47 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/16/2011641.cif $
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2,011,642 | 10.112 | 0.001 | 7.7821 | 0.0006 | 12.0922 | 0.0009 | 90 | null | 91.73 | 0.01 | 90 | null | 951.13 | 0.14 | 293 | null | null | null | null | null | null | null | 3 | P 1 21 1 | P 2yb | 4 | 5α-9(11)-androsten-3β-ol-17-one acetate | - C21 H30 O3 - | - C21 H30 O3 - | - C42 H60 O6 - | 2 | 1 | QA0437 | Novoa de Armas, Héctor; Peeters, Oswald M.; Blaton, Norbert M.; De Ranter, Camiel J.; Ruíz Garcia, José A.; Reyes Moreno, Mayra; Alvarez Ginarte, Yoanna M. | 20-Hydroxyimino-5α-pregna-9(11),16-dien-3β-yl acetate and 17-oxo-5α-androst-9(11)-en-3β-yl acetate | Acta Crystallographica Section C | 2,000 | 56 | 12 | e582 | e583 | 10.1107/S0108270100015043 | 1.5418 | CuKα | 0.078 | 0.0479 | null | 0.147 | null | 0.147 | null | null | 1.055 | null | null | 1.055 | null | null | has coordinates,has Fobs | Novoa de Armas, Héctor; Peeters, Oswald M.; Blaton, Norbert M.; De Ranter, Camiel J.; Ruíz Garcia, José A.; Reyes Moreno, Mayra; Alvarez Ginarte, Yoanna M.
20-Hydroxyimino-5α-pregna-9(11),16-dien-3β-yl acetate and 17-oxo-5α-androst-9(11)-en-3β-yl acetate
Acta Crystallographica Section C
56(12)
(2000)
e582-e583 | 301,798 | 2025-08-19 | 6:41:47 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/16/2011642.cif $
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2,011,643 | 10.2673 | 0.0001 | 10.3671 | 0.0002 | 17.3596 | 0.0001 | 95.459 | 0.001 | 103.172 | 0.001 | 96.048 | 0.001 | 1,775.57 | 0.04 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | Bis(1,3-diphenylpropane-1,3-dionato-O,O')(diphenyl sulfoxide-S)dioxouranium(VI) | - C42 H32 O7 S U - | - C42 H32 O7 S U - | - C84 H64 O14 S2 U2 - | 2 | 1 | QA0438 | Kannan, S.; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun | Bis(1,3-diphenylpropane-1,3-dionato-<i>O</i>,<i>O</i>')(diphenyl sulfoxide-<i>O</i>)dioxouranium(VI) | Acta Crystallographica Section C | 2,000 | 56 | 12 | e545 | e546 | 10.1107/S0108270100014827 | 0.71073 | MoKα | 0.057 | 0.045 | null | null | null | 0.107 | null | null | null | null | null | 0.976 | null | null | has coordinates,has Fobs | Kannan, S.; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun
Bis(1,3-diphenylpropane-1,3-dionato-<i>O</i>,<i>O</i>')(diphenyl sulfoxide-<i>O</i>)dioxouranium(VI)
Acta Crystallographica Section C
56(12)
(2000)
e545-e546 | 301,798 | 2025-08-19 | 6:41:47 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/16/2011643.cif $
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2,011,644 | 10.397 | 0.0015 | 10.397 | 0.0015 | 29.262 | 0.006 | 90 | null | 90 | null | 90 | null | 3,163.2 | 0.9 | 212 | 2 | 212 | 2 | null | null | null | null | 5 | P 43 21 2 | P 4nw 2abw | 96 | none | tetracis(diethyldithiocarbamato)tellurium(IV) | - C20 H40 N4 S8 Te - | - C20 H40 N4 S8 Te - | - C80 H160 N16 S32 Te4 - | 4 | 0.5 | QA0439 | Virovets, Alexander V.; Kalinina, Irina V.; Fedin, Vladimir P.; Fenske, Dieter | Tetragonal polymorphic modification of tetrakis(<i>N</i>,<i>N</i>-diethyldithiocarbamato-<i>S</i>,<i>S</i>')tellurium(IV) | Acta Crystallographica Section C | 2,000 | 56 | 12 | e589 | e590 | 10.1107/S0108270100015389 | 0.71073 | MoKα | 0.04 | 0.029 | null | null | null | 0.057 | null | null | null | null | null | 1.125 | null | null | has coordinates | Virovets, Alexander V.; Kalinina, Irina V.; Fedin, Vladimir P.; Fenske, Dieter
Tetragonal polymorphic modification of tetrakis(<i>N</i>,<i>N</i>-diethyldithiocarbamato-<i>S</i>,<i>S</i>')tellurium(IV)
Acta Crystallographica Section C
56(12)
(2000)
e589-e590 | 176,432 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/16/2011644.cif $
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2,011,645 | 22.3858 | 0.0004 | 22.3858 | 0.0004 | 22.3858 | 0.0004 | 90 | null | 90 | null | 90 | null | 11,218.1 | 0.3 | 150 | 0.1 | 150 | 1 | null | null | null | null | 4 | I -4 3 d | I -4bd 2c 3 | 220 | Chlorotrineophylstannane | Chloro-Tris(2-Methyl-2-Phenylpropyl)-Tin | - C30 H39 Cl Sn - | - C30 H39 Cl Sn - | - C480 H624 Cl16 Sn16 - | 16 | 0.333333 | QA0440 | Low, John Nicolson; Wardell, J.; Bomfim, João a. S.; Wardell, Solange M. S. V. | Chlorotris(2-methyl-2-phenylpropyl)tin(IV) at 150K | Acta Crystallographica Section C | 2,000 | 56 | 12 | e554 | e554 | 10.1107/S0108270100015067 | 0.71073 | MoKα | 0.063 | 0.042 | null | null | null | 0.123 | null | null | null | null | null | 1.043 | null | null | has coordinates,has Fobs | Low, John Nicolson; Wardell, J.; Bomfim, João a. S.; Wardell, Solange M. S. V.
Chlorotris(2-methyl-2-phenylpropyl)tin(IV) at 150K
Acta Crystallographica Section C
56(12)
(2000)
e554-e554 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/16/2011645.cif $
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2,011,646 | 6.786 | 0.0014 | 9.174 | 0.0018 | 14.982 | 0.003 | 90 | null | 101.42 | 0.03 | 90 | null | 914.2 | 0.3 | 176 | 2 | 176 | 2 | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | - C6 H18 Al2 Cl4 O2 Si2 - | - C6 H18 Al2 Cl4 O2 Si2 - | - C12 H36 Al4 Cl8 O4 Si4 - | 2 | 0.5 | QA0441 | Kouvetakis, John; Ritter, Cole; Groy, Thomas L. | The centrosymmetric dimer of dichloro(trimethylsiloxy)aluminium | Acta Crystallographica Section C | 2,000 | 56 | 12 | e564 | e564 | 10.1107/S0108270100017261 | 0.71073 | MoKα | 0.088 | 0.054 | null | null | null | 0.155 | null | null | null | null | null | 1.097 | null | null | has coordinates,has Fobs | Kouvetakis, John; Ritter, Cole; Groy, Thomas L.
The centrosymmetric dimer of dichloro(trimethylsiloxy)aluminium
Acta Crystallographica Section C
56(12)
(2000)
e564-e564 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/16/2011646.cif $
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2,011,647 | 21.763 | 0.002 | 22.955 | 0.002 | 30.767 | 0.002 | 90 | null | 90 | null | 90 | null | 15,370 | 2 | 150 | 2 | 150 | 2 | null | null | null | null | 6 | I b c a | -I 2b 2c | 73 | - C98 H83 Ag B N P4 - | - C98 H83 Ag B N P4 - | - C784 H664 Ag8 B8 N8 P32 - | 8 | 0.5 | QA0442 | Ellis, Dianne D.; Spek, Anthony L. | Tetrakis(triphenylphosphine)silver(I) tetraphenylborate acetonitrile solvate | Acta Crystallographica Section C | 2,000 | 56 | 12 | e547 | e548 | 10.1107/S0108270100015079 | 0.71073 | MoKα | 0.128 | 0.058 | null | null | null | 0.14 | null | null | null | null | null | 1.013 | null | null | has coordinates,has Fobs | Ellis, Dianne D.; Spek, Anthony L.
Tetrakis(triphenylphosphine)silver(I) tetraphenylborate acetonitrile solvate
Acta Crystallographica Section C
56(12)
(2000)
e547-e548 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/16/2011647.cif $
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2,011,648 | 10.3124 | 0.0002 | 8.6888 | 0.0003 | 13.3156 | 0.0003 | 90 | null | 97.2427 | 0.0015 | 90 | null | 1,183.59 | 0.05 | 150 | 2 | 150 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | Ethyl-2-amino-4-phenyl-1,3-thiazole-5-carboxylate | - C12 H12 N2 O2 S - | - C12 H12 N2 O2 S - | - C48 H48 N8 O8 S4 - | 4 | 1 | QA0444 | Lynch, Daniel E.; McClenaghan, Ian | Ethyl 2-amino-4-phenyl-1,3-thiazole-5-carboxylate | Acta Crystallographica Section C | 2,000 | 56 | 12 | e586 | e586 | 10.1107/S0108270100015201 | 0.71073 | MoKα | 0.043 | 0.037 | null | null | null | 0.102 | null | null | null | null | null | 1.013 | null | null | has coordinates,has Fobs | Lynch, Daniel E.; McClenaghan, Ian
Ethyl 2-amino-4-phenyl-1,3-thiazole-5-carboxylate
Acta Crystallographica Section C
56(12)
(2000)
e586-e586 | 301,798 | 2025-08-19 | 6:41:47 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/16/2011648.cif $
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2,011,649 | 11.197 | 0.002 | 8.932 | 0.002 | 6.976 | 0.002 | 90 | null | 90.21 | 0.02 | 90 | null | 697.7 | 0.3 | 298 | 1 | null | null | null | null | null | null | 3 | P 1 21 1 | P 2yb | 4 | (-)-epi-inosose | (-)-2L-(2,3,4,6/5)-2,3,4,5,6-pentahydroxycyclohexanone | - C6 H10 O6 - | - C6 H10 O6 - | - C24 H40 O24 - | 4 | 2 | QA0445 | Hosomi, Hiroyuki; Ohba, Shigeru; Ogawa, Seiichiro; Takahashi, Atsushi | (–)-<i>epi</i>-Inosose-2 | Acta Crystallographica Section C | 2,000 | 56 | 12 | e584 | e585 | 10.1107/S0108270100015092 | 0.71073 | MoKα | null | 0.024 | null | null | null | 0.068 | null | null | null | null | null | 1.13 | null | null | has coordinates,has Fobs | Hosomi, Hiroyuki; Ohba, Shigeru; Ogawa, Seiichiro; Takahashi, Atsushi
(–)-<i>epi</i>-Inosose-2
Acta Crystallographica Section C
56(12)
(2000)
e584-e585 | 301,798 | 2025-08-19 | 6:41:47 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/16/2011649.cif $
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2,011,650 | 11.9231 | 0.0007 | 5.4888 | 0.0003 | 12.3788 | 0.0008 | 90 | null | 91.527 | 0.003 | 90 | null | 809.82 | 0.08 | 150 | 2 | 150 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | 4-(Phenyl)thiosemicarbazide | - C7 H9 N3 S - | - C7 H9 N3 S - | - C28 H36 N12 S4 - | 4 | 1 | QA0447 | Lynch, Daniel E.; McClenaghan, Ian | Redetermination of 4-(phenyl)thiosemicarbazide | Acta Crystallographica Section C | 2,000 | 56 | 12 | e587 | e587 | 10.1107/S0108270100015390 | 0.71073 | MoKα | 0.052 | 0.04 | null | null | null | 0.132 | null | null | null | null | null | 1.13 | null | null | has coordinates,has Fobs | Lynch, Daniel E.; McClenaghan, Ian
Redetermination of 4-(phenyl)thiosemicarbazide
Acta Crystallographica Section C
56(12)
(2000)
e587-e587 | 301,798 | 2025-08-19 | 6:41:47 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/16/2011650.cif $
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2,011,651 | 13.115 | 0.003 | 24.305 | 0.003 | 6.388 | 0.003 | 90 | null | 90 | null | 90 | null | 2,036.2 | 1.1 | 298.2 | null | null | null | null | null | null | null | 5 | P 21 21 21 | P 2ac 2ab | 19 | - C21 H20 F3 N O4 - | - C21 H20 F3 N O4 - | - C84 H80 F12 N4 O16 - | 4 | 1 | QA0448 | Sato, Shoichi; Yamazaki, Takashi; Shinohara, Noriyasu; Kitazume, Tomoya | (<i>S</i>)-4-Benzyl-3-[(<i>R</i>)-4,4,4-trifluoro-3-(4-methoxyphenyl)butanoyl]-1,3-oxazolidin-2-one | Acta Crystallographica Section C | 2,000 | 56 | 12 | e592 | e593 | 10.1107/S0108270100015717 | 0.7107 | MoKα | null | 0.0483 | null | null | null | 0.1371 | null | null | null | null | null | 1.998 | null | null | has coordinates,has Fobs | Sato, Shoichi; Yamazaki, Takashi; Shinohara, Noriyasu; Kitazume, Tomoya
(<i>S</i>)-4-Benzyl-3-[(<i>R</i>)-4,4,4-trifluoro-3-(4-methoxyphenyl)butanoyl]-1,3-oxazolidin-2-one
Acta Crystallographica Section C
56(12)
(2000)
e592-e593 | 301,798 | 2025-08-19 | 6:41:48 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/16/2011651.cif $
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2,011,652 | 6.7416 | 0.0001 | 9.8984 | 0.0002 | 17.3338 | 0.0003 | 90 | null | 91.82 | 0.001 | 90 | null | 1,156.12 | 0.04 | 173 | null | 173 | null | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | - C6 H7 Br4 N Ti - | - C6 H7 Br4 N Ti - | - C24 H28 Br16 N4 Ti4 - | 4 | 1 | QA0449 | Hensen, Karl; Lemke, Alexander; Bolte, Michael | Tetrabromo(2-methylpyridine-<i>N</i>)titanate(IV) | Acta Crystallographica Section C | 2,000 | 56 | 12 | e565 | e566 | 10.1107/S0108270100015407 | 0.71073 | MoKα | 0.093 | 0.055 | null | 0.106 | 0.095 | 0.106 | null | null | 1.088 | null | null | 1.088 | null | null | has coordinates,has Fobs | Hensen, Karl; Lemke, Alexander; Bolte, Michael
Tetrabromo(2-methylpyridine-<i>N</i>)titanate(IV)
Acta Crystallographica Section C
56(12)
(2000)
e565-e566 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
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2,011,653 | 7.0907 | 0.0014 | 8.0793 | 0.0016 | 23.07 | 0.005 | 90 | null | 96.1 | 0.03 | 90 | null | 1,314.1 | 0.5 | 150 | 2 | 150 | 2 | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | 5-(methylfur-2-yl)-1-phenylpent-4-ene-1,3-dione | - C16 H14 O3 - | - C16 H14 O3 - | - C64 H56 O12 - | 4 | 1 | QA0450 | Arrieta, Antonio F; Haglund, Kjersti Ann; Mostad, Arvid | Conjugation and hydrogen bonding in a curcumin analogue | Acta Crystallographica Section C | 2,000 | 56 | 12 | e594 | e595 | 10.1107/S0108270100015729 | 0.71073 | MoKα | 0.06 | 0.04 | null | null | null | 0.098 | null | null | null | null | null | 1.067 | null | null | has coordinates,has Fobs | Arrieta, Antonio F; Haglund, Kjersti Ann; Mostad, Arvid
Conjugation and hydrogen bonding in a curcumin analogue
Acta Crystallographica Section C
56(12)
(2000)
e594-e595 | 301,798 | 2025-08-19 | 6:41:48 | #------------------------------------------------------------------------------
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2,011,654 | 10.355 | 0.001 | 11.815 | 0.002 | 9.9 | 0.001 | 105.06 | 0.01 | 97.47 | 0.01 | 107.58 | 0.01 | 1,086 | 0.3 | 298 | 1 | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C50 H44 Co N7 O5 - | - C50 H42 Co N7 O5 - | - C50 H42 Co N7 O5 - | 1 | 0.5 | QA0451 | Ohba, Shigeru; Eishima, Makoto; Seki, Hiroshi | Aquanitro(α,β,γ,δ-tetraphenylporphyrinato)cobalt(III) <i>N</i>,<i>N</i>-dimethylformamide disolvate | Acta Crystallographica Section C | 2,000 | 56 | 12 | e555 | e556 | 10.1107/S0108270100015109 | 0.71073 | MoKα | null | 0.043 | null | null | null | 0.123 | null | null | null | null | null | 1.01 | null | null | has coordinates | Ohba, Shigeru; Eishima, Makoto; Seki, Hiroshi
Aquanitro(α,β,γ,δ-tetraphenylporphyrinato)cobalt(III) <i>N</i>,<i>N</i>-dimethylformamide disolvate
Acta Crystallographica Section C
56(12)
(2000)
e555-e556 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
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2,011,655 | 6.601 | 0.002 | 12.721 | 0.002 | 14.072 | 0.001 | 90 | null | 97.06 | 0.01 | 90 | null | 1,172.7 | 0.4 | 298 | 1 | null | null | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | - C4 H16 Cl Co N6 O5 - | - C4 H16 Cl Co N6 O5 - | - C16 H64 Cl4 Co4 N24 O20 - | 4 | 1 | QA0452 | Ohba, Shigeru; Eishima, Makoto | <i>trans</i>-Chlorobis(ethylenediamine-<i>N</i>,<i>N</i>')nitrocobalt(III) nitrate | Acta Crystallographica Section C | 2,000 | 56 | 12 | e557 | e558 | 10.1107/S0108270100015122 | 0.71073 | MoKα | null | 0.032 | null | null | null | 0.082 | null | null | null | null | null | 1.1 | null | null | has coordinates,has Fobs | Ohba, Shigeru; Eishima, Makoto
<i>trans</i>-Chlorobis(ethylenediamine-<i>N</i>,<i>N</i>')nitrocobalt(III) nitrate
Acta Crystallographica Section C
56(12)
(2000)
e557-e558 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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2,011,656 | 8.349 | 0.002 | 12.644 | 0.003 | 6.556 | 0.003 | 103.19 | 0.03 | 105.11 | 0.03 | 77.3 | 0.02 | 641 | 0.4 | 298 | 1 | null | null | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C4 H16 Cl2 Co N5 O6 - | - C4 H16 Cl2 Co N5 O6 - | - C8 H32 Cl4 Co2 N10 O12 - | 2 | 1 | QA0453 | Ohba, Shigeru; Eishima, Makoto | <i>trans</i>-Chlorobis(ethylenediamine-<i>N</i>,<i>N</i>')nitrocobalt(III) perchlorate | Acta Crystallographica Section C | 2,000 | 56 | 12 | e559 | e560 | 10.1107/S0108270100015134 | 0.71073 | MoKα | null | 0.042 | null | null | null | 0.112 | null | null | null | null | null | 1.18 | null | null | has coordinates | Ohba, Shigeru; Eishima, Makoto
<i>trans</i>-Chlorobis(ethylenediamine-<i>N</i>,<i>N</i>')nitrocobalt(III) perchlorate
Acta Crystallographica Section C
56(12)
(2000)
e559-e560 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
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2,011,657 | 11.2926 | 0.0006 | 10.4429 | 0.0004 | 11.2028 | 0.0004 | 90 | null | 115.829 | 0.015 | 90 | null | 1,189.14 | 0.17 | 150 | 2 | 150 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | 2-Chloro-3-pyrrolidino-1,4-naphthoquinone | - C14 H12 Cl N O2 - | - C14 H12 Cl N O2 - | - C56 H48 Cl4 N4 O8 - | 4 | 1 | QA0454 | Lynch, Daniel E.; McClenaghan, Ian | 2-Chloro-3-(pyrrolidin-1-yl)-1,4-naphthoquinone | Acta Crystallographica Section C | 2,000 | 56 | 12 | e588 | e588 | 10.1107/S0108270100015730 | 0.71073 | MoKα | 0.084 | 0.044 | null | null | null | 0.118 | null | null | null | null | null | 0.972 | null | null | has coordinates,has Fobs | Lynch, Daniel E.; McClenaghan, Ian
2-Chloro-3-(pyrrolidin-1-yl)-1,4-naphthoquinone
Acta Crystallographica Section C
56(12)
(2000)
e588-e588 | 301,798 | 2025-08-19 | 6:41:48 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,011,658 | 6.0228 | 0.0003 | 24.792 | 0.001 | 12.189 | 0.001 | 90 | null | 100.928 | 0.001 | 90 | null | 1,787.02 | 0.19 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | 2-(4-Acetyl-3,5-dihydroxy-2-methylphenoxy)-4,6-dimethoxy-3-methylbenzoic acid | - C19 H20 O8 - | - C19 H20 O8 - | - C76 H80 O32 - | 4 | 1 | QA0457 | Chantrapromma, Suchada; Fun, Hoong-Kun; Razak, Ibrahim Abdul; Saewon, Nisakorn; Karalai, Chatchanok; Chantrapromma, Kan | 2-(4-Acetyl-3,5-dihydroxy-2-methylphenoxy)-4,6-dimethoxy-3-methylbenzoic acid | Acta Crystallographica Section C | 2,000 | 56 | 12 | e598 | e599 | 10.1107/S0108270100016280 | 0.71073 | MoKα | 0.136 | 0.08 | null | null | null | 0.231 | null | null | null | null | null | 0.961 | null | null | has coordinates,has Fobs | Chantrapromma, Suchada; Fun, Hoong-Kun; Razak, Ibrahim Abdul; Saewon, Nisakorn; Karalai, Chatchanok; Chantrapromma, Kan
2-(4-Acetyl-3,5-dihydroxy-2-methylphenoxy)-4,6-dimethoxy-3-methylbenzoic acid
Acta Crystallographica Section C
56(12)
(2000)
e598-e599 | 301,798 | 2025-08-19 | 6:41:48 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,011,659 | 7.2902 | 0.0007 | 23.644 | 0.002 | 12.0207 | 0.0009 | 90 | null | 106.448 | 0.006 | 90 | null | 1,987.2 | 0.3 | 150 | 2 | 150 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | Bis(N-methyl-2-chloropyridinium)-iodide-triiodide | - C12 H14 Cl2 I4 N2 - | - C12 H14 Cl2 I4 N2 - | - C48 H56 Cl8 I16 N8 - | 4 | 1 | QA0458 | Heigel, Erik; Bock, Hans; Seibel, Andreas | Bis(2-chloro-<i>N</i>-methylpyridinium) iodide triiodide | Acta Crystallographica Section C | 2,000 | 56 | 12 | e604 | e605 | 10.1107/S0108270100017315 | 0.71073 | MoKα | 0.048 | 0.036 | null | null | null | 0.085 | null | null | null | null | null | 1.095 | null | null | has coordinates,has Fobs | Heigel, Erik; Bock, Hans; Seibel, Andreas
Bis(2-chloro-<i>N</i>-methylpyridinium) iodide triiodide
Acta Crystallographica Section C
56(12)
(2000)
e604-e605 | 301,798 | 2025-08-19 | 6:41:48 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,011,660 | 5.31997 | 0.00014 | 5.31997 | 0.00014 | 9.5567 | 0.0003 | 90 | null | 90 | null | 120 | null | 234.238 | 0.011 | 295 | null | 295 | null | null | null | null | null | 3 | P 3 | P 3 | 143 | Sodium Titanate | sodium titanate | - Na4 O12 Ti5 - | - Na4 O12 Ti5 - | - Na4 O12 Ti5 - | 1 | 0.333333 | QD0006 | Avdeev, Maxim; Kholkin, Andrei | Low-temperature Na~4~Ti~5~O~12~ from X-ray and neutron powder diffraction data | Acta Crystallographica Section C | 2,000 | 56 | 12 | e539 | e540 | 10.1107/S0108270100014839 | 1.54056 | CuKα~1~ | null | null | null | null | null | null | null | null | 5.37 | null | null | null | null | null | has coordinates | Avdeev, Maxim; Kholkin, Andrei
Low-temperature Na~4~Ti~5~O~12~ from X-ray and neutron powder diffraction data
Acta Crystallographica Section C
56(12)
(2000)
e539-e540 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/16/2011660.cif $
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