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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
2,005,280 | 13.329 | 0.002 | 13.647 | 0.001 | 14.467 | 0.001 | 89.7 | 0.01 | 79.47 | 0.01 | 80.09 | 0.01 | 2,547.7 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 7 | P -1 | -P 1 | 2 | Isothiocyanatotris(triphenylphosphine)silver(I) chloroform solvate | - C56 H46 Ag Cl3 N P3 S - | - C56 H46 Ag Cl3 N P3 S - | - C112 H92 Ag2 Cl6 N2 P6 S2 - | 2 | 1 | MU1253 | Othman, A. H.; Fun, H.-K.; Sivakumar, K.; Farina, Y.; Baba, I. | (Thiocyanato-<i>N</i>)tris(triphenylphosphine)silver(I) Chloroform Solvate | Acta Crystallographica Section C | 1,996 | 52 | 8 | 1933 | 1935 | 10.1107/S0108270196003733 | 0.71073 | MoKα | 0.0672 | 0.0513 | null | 0.1641 | 0.1541 | null | null | null | 1.059 | 1.144 | 1.144 | null | null | null | has coordinates | Othman, A. H.; Fun, H.-K.; Sivakumar, K.; Farina, Y.; Baba, I.
(Thiocyanato-<i>N</i>)tris(triphenylphosphine)silver(I) Chloroform Solvate
Acta Crystallographica Section C
52(8)
(1996)
1933-1935 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
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2,005,281 | 8.3934 | 0.0008 | 10.009 | 0.001 | 11.954 | 0.001 | 71.137 | 0.008 | 94.378 | 0.008 | 93.974 | 0.009 | 946.48 | 0.16 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | Aqua[bis(3-aminopropyl)amine-N,N',N''](glutarato)copper tetrahydrate | - C11 H33 Cu N3 O9 - | - C11 H33 Cu N3 O9 - | - C22 H66 Cu2 N6 O18 - | 2 | 1 | MU1258 | Pajunen, A.; Pajunen, S.; Kivikoski, J.; Valkonen, J. | Aqua[bis(3-aminopropyl)amine-<i>N</i>,<i>N</i>',<i>N</i>''](glutarato-<i>O</i>)copper(II) Tetrahydrate | Acta Crystallographica Section C | 1,996 | 52 | 8 | 1901 | 1903 | 10.1107/S0108270196004064 | 0.71069 | MoKα | 0.0604 | 0.0335 | null | 0.0889 | 0.0807 | null | null | null | 1.038 | 1.082 | 1.082 | null | null | null | has coordinates | Pajunen, A.; Pajunen, S.; Kivikoski, J.; Valkonen, J.
Aqua[bis(3-aminopropyl)amine-<i>N</i>,<i>N</i>',<i>N</i>''](glutarato-<i>O</i>)copper(II) Tetrahydrate
Acta Crystallographica Section C
52(8)
(1996)
1901-1903 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
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2,005,282 | 14.405 | 0.002 | 15.805 | 0.002 | 20.644 | 0.005 | 90 | null | 99.61 | 0.02 | 90 | null | 4,634.1 | 1.4 | 293 | null | null | null | null | null | null | null | 6 | C 1 2/c 1 | -C 2yc | 15 | - C22 H48 Cl14 Cu4 N8 O5 - | - C22 H36 Cl14 Cu4 N8 O5 - | - C88 H144 Cl56 Cu16 N32 O20 - | 4 | 0.5 | NA1210 | Jackson, G. E.; Voyé, A.; Bourne, S. A. | Bis[5,5-dichloro-4,6-dioxo-3,7-diaza-1,9-nonanediylbis(dimethylammonium)] Tetrachlorohexa-μ-chloro-μ~4~-oxo-tetracuprate(II) | Acta Crystallographica Section C | 1,996 | 52 | 8 | 1907 | 1908 | 10.1107/S0108270196002764 | 0.71073 | MoKα | null | 0.049 | null | null | 0.059 | null | null | null | null | 1.094 | 1.094 | null | null | null | has coordinates | Jackson, G. E.; Voyé, A.; Bourne, S. A.
Bis[5,5-dichloro-4,6-dioxo-3,7-diaza-1,9-nonanediylbis(dimethylammonium)] Tetrachlorohexa-μ-chloro-μ~4~-oxo-tetracuprate(II)
Acta Crystallographica Section C
52(8)
(1996)
1907-1908 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,005,283 | 5.935 | 0.004 | 11.358 | 0.001 | 10.49 | 0.002 | 90 | null | 94.66 | 0.01 | 90 | null | 704.8 | 0.5 | 292 | null | 292 | null | null | null | null | null | 7 | P 1 21/c 1 | -P 2ybc | 14 | Bisthiourea-cadmium perrhenate | - C2 H8 Cd N4 O8 Re2 S2 - | - C2 H8 Cd N4 O8 Re2 S2 - | - C4 H16 Cd2 N8 O16 Re4 S4 - | 2 | 0.5 | NA1219 | Petrova, R.; Angelova, O.; Macícek, J. | Molecular Adducts of Inorganic Salts. VI. The Dimorphism of Cd(ReO~4~)~2~.2tu (tu = Thiourea) | Acta Crystallographica Section C | 1,996 | 52 | 8 | 1935 | 1939 | 10.1107/S010827019600412X | 0.71073 | MoKα | 0.038 | 0.031 | null | 0.044 | 0.044 | null | null | null | 0.98 | 0.996 | 0.996 | null | null | null | has coordinates | Petrova, R.; Angelova, O.; Macícek, J.
Molecular Adducts of Inorganic Salts. VI. The Dimorphism of Cd(ReO~4~)~2~.2tu (tu = Thiourea)
Acta Crystallographica Section C
52(8)
(1996)
1935-1939 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,005,284 | 8.931 | 0.002 | 9.066 | 0.003 | 10.125 | 0.001 | 76.46 | 0.02 | 67.08 | 0.01 | 66.39 | 0.03 | 688.9 | 0.3 | 292 | null | 292 | null | null | null | null | null | 7 | P -1 | -P 1 | 2 | Bisthiourea-cadmium perrhenate | - C2 H8 Cd N4 O8 Re2 S2 - | - C2 H8 Cd N4 O8 Re2 S2 - | - C4 H16 Cd2 N8 O16 Re4 S4 - | 2 | 1 | NA1219 | Petrova, R.; Angelova, O.; Macícek, J. | Molecular Adducts of Inorganic Salts. VI. The Dimorphism of Cd(ReO~4~)~2~.2tu (tu = Thiourea) | Acta Crystallographica Section C | 1,996 | 52 | 8 | 1935 | 1939 | 10.1107/S010827019600412X | 0.71073 | MoKα | 0.064 | 0.038 | null | 0.057 | 0.054 | null | null | null | 1.091 | 1.041 | 1.041 | null | null | null | has coordinates | Petrova, R.; Angelova, O.; Macícek, J.
Molecular Adducts of Inorganic Salts. VI. The Dimorphism of Cd(ReO~4~)~2~.2tu (tu = Thiourea)
Acta Crystallographica Section C
52(8)
(1996)
1935-1939 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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4,322,189 | 14.914 | 0.003 | 9.321 | 0.002 | 23.219 | 0.004 | 90 | null | 97.35 | 0.004 | 90 | null | 3,201.2 | 1.1 | 203 | 2 | 203 | 2 | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | - C22 H54 Mg N6 O4 S2 - | - C22 H54 Mg N6 O4 S2 - | - C88 H216 Mg4 N24 O16 S8 - | 4 | 1 | Justin K. Brask; Tristram Chivers; Masood Parvez; Glenn P. A. Yap | Assembly of a Heterobimetallic Diazasulfate Cluster via an Li4O4 Ladder | Inorganic Chemistry | 1,999 | 38 | 3594 | 3595 | 10.1021/ic9903578 | 0.71073 | MoKα | 0.1305 | 0.0645 | null | null | 0.1514 | 0.1626 | null | null | null | null | null | 1.036 | null | null | has coordinates | Justin K. Brask; Tristram Chivers; Masood Parvez; Glenn P. A. Yap
Assembly of a Heterobimetallic Diazasulfate Cluster via an Li4O4 Ladder
Inorganic Chemistry
38
(1999)
3594-3595 | 179,324 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,005,285 | 12.987 | 0.002 | 24.929 | 0.002 | 15.472 | 0.002 | 90 | null | 92 | 0.02 | 90 | null | 5,006.1 | 1.1 | 293 | 2 | null | null | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | - C57 H54 Cl3 N P2 Ru - | - C57 H54 Cl3 N P2 Ru - | - C228 H216 Cl12 N4 P8 Ru4 - | 4 | 1 | NA1221 | Bianchini, C.; Masi, D.; Peruzzini, M.; Romerosa, A.; Zanobini, F. | <i>anti</i>,<i>mer</i>-[Bis(2-diphenylphosphinoethyl)(<i>n</i>-propyl)amine-<i>N</i>,<i>P</i>,<i>P</i>'](phenylethynyl)[(<i>Z</i>)-1-<i>p</i>-tolyl-4-phenyl-η^3^-but-1-en-3-ynyl]ruthenium(II) Chloroform Solvate | Acta Crystallographica Section C | 1,996 | 52 | 8 | 1973 | 1976 | 10.1107/S0108270196002776 | 0.71073 | MoKα | null | 0.0625 | null | null | 0.1516 | null | null | null | null | 1.017 | 1.017 | null | null | null | has coordinates | Bianchini, C.; Masi, D.; Peruzzini, M.; Romerosa, A.; Zanobini, F.
<i>anti</i>,<i>mer</i>-[Bis(2-diphenylphosphinoethyl)(<i>n</i>-propyl)amine-<i>N</i>,<i>P</i>,<i>P</i>'](phenylethynyl)[(<i>Z</i>)-1-<i>p</i>-tolyl-4-phenyl-η^3^-but-1-en-3-ynyl]ruthenium(II) Chloroform Solvate
Acta Crystallographica Section C
52(8)
(19... | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,005,286 | 8.566 | 0.002 | 14.191 | 0.004 | 7.246 | 0.002 | 91.63 | 0.02 | 114.41 | 0.09 | 91.42 | 0.02 | 801.1 | 0.7 | 295 | null | 298 | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | 3,4-dihydro-6-(3'-methylbenzyl)-2-(2-methylpropyl)thio-4-oxopyrimidine | - C16 H20 N2 O S - | - C16 H20 N2 O S - | - C32 H40 N4 O2 S2 - | 2 | 1 | NA1234 | Ettorre, A.; Mai, A.; Artico, M.; Massa, S.; De Montis, A.; La Colla, P. | 6-(3-Methylbenzyl)-2-(2-methylpropyl)thio-4(3<i>H</i>)-pyrimidinone (DABO 622) | Acta Crystallographica Section C | 1,996 | 52 | 8 | 2115 | 2117 | 10.1107/S0108270196006117 | 1.54178 | CuKα | null | 0.056 | null | null | 0.067 | null | null | null | null | 1.9 | 1.9 | null | null | null | has coordinates | Ettorre, A.; Mai, A.; Artico, M.; Massa, S.; De Montis, A.; La Colla, P.
6-(3-Methylbenzyl)-2-(2-methylpropyl)thio-4(3<i>H</i>)-pyrimidinone (DABO 622)
Acta Crystallographica Section C
52(8)
(1996)
2115-2117 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
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2,005,287 | 17.0543 | 0.0007 | 9.6959 | 0.0006 | 35.025 | 0.002 | 90 | null | 96.813 | 0.004 | 90 | null | 5,750.7 | 0.5 | 293 | null | 293 | null | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | 4-(4-Chlorophenyl)-4-hydroxy-N,N-dimethyl-α,α-diphenyl- 1-piperidinebutanamide-N-oxide | - C29 H37.5 Cl N2 O5.25 - | - C29 H39 Cl N2 O7 - | - C232 H312 Cl8 N16 O56 - | 8 | 1 | NA1244 | Peeters, O. M.; Blaton, N. M.; De Ranter, C. J. | 4-(4-Chlorophenyl)-4-hydroxy-<i>N</i>,<i>N</i>-dimethyl-α,α-diphenyl-1-piperidinebutanamide <i>N</i>-Oxide Hydrate (Loperamide <i>N</i>-Oxide Hydrate) | Acta Crystallographica Section C | 1,996 | 52 | 8 | 2100 | 2102 | 10.1107/S0108270196005884 | 1.54184 | CuKα | 0.0637 | 0.0489 | null | 0.1407 | 0.1403 | null | null | null | 1.057 | 1.054 | 1.054 | null | null | null | has coordinates | Peeters, O. M.; Blaton, N. M.; De Ranter, C. J.
4-(4-Chlorophenyl)-4-hydroxy-<i>N</i>,<i>N</i>-dimethyl-α,α-diphenyl-1-piperidinebutanamide <i>N</i>-Oxide Hydrate (Loperamide <i>N</i>-Oxide Hydrate)
Acta Crystallographica Section C
52(8)
(1996)
2100-2102 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,005,288 | 10.622 | 0.002 | 18.234 | 0.001 | 10.4 | 0.002 | 95.31 | 0.01 | 120.16 | 0.01 | 96.62 | 0.01 | 1,703.2 | 0.5 | 298 | null | null | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | - H34 Mo9 N6 O35 - | - Mo9 N6 O35 - | - Mo18 N12 O70 - | 2 | 1 | OH1091 | Yamase, T.; Sugeta, M.; Ishikawa, E. | Zigzag Chain Structure of Hexaammonium Enneamolybdate Pentahydrate | Acta Crystallographica Section C | 1,996 | 52 | 8 | 1869 | 1872 | 10.1107/S010827019501585X | 0.71069 | MoKα | null | 0.0414 | null | null | 0.0337 | null | null | null | null | 1.826 | 1.826 | null | null | null | has coordinates | Yamase, T.; Sugeta, M.; Ishikawa, E.
Zigzag Chain Structure of Hexaammonium Enneamolybdate Pentahydrate
Acta Crystallographica Section C
52(8)
(1996)
1869-1872 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,005,289 | 8.349 | 0.0007 | 17.725 | 0.002 | 10.129 | 0.002 | 90 | null | 90.866 | 0.009 | 90 | null | 1,498.8 | 0.4 | 293 | null | null | null | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | - C10 H17 Ag Cu N2 O10 - | - C10 H17 Ag Cu N2 O10 - | - C40 H68 Ag4 Cu4 N8 O40 - | 4 | 1 | PA1208 | Brouca-Cabarrecq, C.; Marrot, B.; Mosset, A. | A New Bimetallic Complex of Ethylenediaminetetraacetic Acid: Ag[Cu(C~10~H~13~N~2~O~8~)(H~2~O)].H~2~O | Acta Crystallographica Section C | 1,996 | 52 | 8 | 1903 | 1906 | 10.1107/S0108270195014715 | 1.54184 | CuKα | null | 0.0297 | null | null | 0.0331 | null | null | null | null | 0.883 | 0.883 | null | null | null | has coordinates | Brouca-Cabarrecq, C.; Marrot, B.; Mosset, A.
A New Bimetallic Complex of Ethylenediaminetetraacetic Acid: Ag[Cu(C~10~H~13~N~2~O~8~)(H~2~O)].H~2~O
Acta Crystallographica Section C
52(8)
(1996)
1903-1906 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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4,322,188 | 10.649 | 0.002 | 11.737 | 0.003 | 13.364 | 0.004 | 90 | null | 90 | null | 90 | null | 1,670.3 | 0.7 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | - C18 H17 N4 P - | - C18 H17 N4 P - | - C72 H68 N16 P4 - | 4 | 1 | Robert T. Paine; Wolfgang Koestle; Theodore T. Borek; Gary L. Wood; Eugene A. Pruss; Eileen N. Duesler; Michael A. Hiskey | Synthesis, Characterization, and Explosive Properties of the Nitrogen-Rich Borazine [H3N3B3(N3)3] | Inorganic Chemistry | 1,999 | 38 | 3738 | 3743 | 10.1021/ic990316b | 0.71073 | MoKα | 0.0521 | 0.0334 | null | 0.0532 | null | 0.0509 | null | null | 0.888 | null | null | 1.016 | null | null | has coordinates | Robert T. Paine; Wolfgang Koestle; Theodore T. Borek; Gary L. Wood; Eugene A. Pruss; Eileen N. Duesler; Michael A. Hiskey
Synthesis, Characterization, and Explosive Properties of the Nitrogen-Rich Borazine [H3N3B3(N3)3]
Inorganic Chemistry
38
(1999)
3738-3743 | 301,838 | 2025-08-20 | 22:17:36 | #------------------------------------------------------------------------------
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2,005,290 | 13.401 | 0.004 | 9.103 | 0.002 | 12.375 | 0.008 | 90 | null | 103.84 | 0.03 | 90 | null | 1,465.8 | 1.1 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | 15 | 2-Nitro-4-methylaniline | - C7 H8 N2 O2 - | - C7 H8 N2 O2 - | - C56 H64 N16 O16 - | 8 | 1 | PA1210 | Ellena, J.; Punte, G.; Rivero, B. E. | 4-Methyl-2-nitroaniline | Acta Crystallographica Section C | 1,996 | 52 | 8 | 2074 | 2076 | 10.1107/S0108270195016234 | 0.71073 | MoKα | 0.1097 | 0.0533 | null | 0.0937 | 0.0729 | null | null | null | 1.38 | 1.458 | 1.458 | null | null | null | has coordinates | Ellena, J.; Punte, G.; Rivero, B. E.
4-Methyl-2-nitroaniline
Acta Crystallographica Section C
52(8)
(1996)
2074-2076 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
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2,005,291 | 9.285 | 0.003 | 18.287 | 0.008 | 19.427 | 0.006 | 90 | null | 99.55 | 0.04 | 90 | null | 3,253 | 2 | 296 | null | null | null | null | null | null | null | 7 | P 1 21/c 1 | -P 2ybc | 14 | - C36 H37 Au Cl Fe N P - | - C36 H37 Au Cl Fe N P - | - C144 H148 Au4 Cl4 Fe4 N4 P4 - | 4 | 1 | PA1217 | Viotte, M.; Gautheron, B.; Parish, R. G.; Pritchard, R. G. | Chloro[(α-dimethylamino[3]ferrocenophan-2-yl)diphenylphosphino]gold(I) Benzene Solvate | Acta Crystallographica Section C | 1,996 | 52 | 8 | 1891 | 1894 | 10.1107/S0108270196001928 | 0.71069 | MoKα | null | 0.068 | null | null | 0.064 | null | null | null | null | 2.97 | 2.97 | null | null | null | has coordinates | Viotte, M.; Gautheron, B.; Parish, R. G.; Pritchard, R. G.
Chloro[(α-dimethylamino[3]ferrocenophan-2-yl)diphenylphosphino]gold(I) Benzene Solvate
Acta Crystallographica Section C
52(8)
(1996)
1891-1894 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,005,292 | 9.8355 | 0.0004 | 8.2688 | 0.0004 | 14.7126 | 0.0008 | 90 | null | 107.567 | 0.004 | 90 | null | 1,140.74 | 0.1 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 1 21 1 | P 2yb | 4 | trimethyl(10E,12E)-cis-bicyclo[12.3.0] heptadeca10,12-diene-4,17-dione-1,8,8-tricarboxylate | - C23 H30 O8 - | - C23 H30 O8 - | - C46 H60 O16 - | 2 | 1 | PT1020 | Drouin, M.; Couturier, M.; Crevisy, C.; Dory, Y. L.; Deslongchamps, P. | Two 14-Membered Macrocycles with <i>trans</i>-<i>trans</i> and <i>trans</i>-<i>cis</i> Dienes. Trimethyl (2<i>E</i>,4<i>E</i>)-<i>cis</i>- and Trimethyl (2<i>Z</i>,4<i>E</i>)-<i>trans</i>-11,15-Dioxobicyclo[12.3.0]heptadeca-2,4-diene-7,7,14-tricarboxylate | Acta Crystallographica Section C | 1,996 | 52 | 8 | 2084 | 2087 | 10.1107/S0108270195016817 | 1.54184 | CuKα | 0.0505 | 0.0413 | null | 0.1121 | 0.1055 | null | null | null | 1.049 | 1.101 | 1.101 | null | null | null | has coordinates | Drouin, M.; Couturier, M.; Crevisy, C.; Dory, Y. L.; Deslongchamps, P.
Two 14-Membered Macrocycles with <i>trans</i>-<i>trans</i> and <i>trans</i>-<i>cis</i> Dienes. Trimethyl (2<i>E</i>,4<i>E</i>)-<i>cis</i>- and Trimethyl (2<i>Z</i>,4<i>E</i>)-<i>trans</i>-11,15-Dioxobicyclo[12.3.0]heptadeca-2,4-diene-7,7,14-tricarbo... | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
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2,005,293 | 13.6059 | 0.0006 | 15.6454 | 0.0006 | 10.684 | 0.0005 | 90 | null | 95.735 | 0.004 | 90 | null | 2,262.92 | 0.17 | 293 | null | 293 | null | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | trimethyl(10E,12Z)-trans-bicyclo[12.3.0] heptadeca10,12-diene-4,17-dione-1,8,8-tricarboxylate | - C23 H30 O8 - | - C23 H30 O8 - | - C92 H120 O32 - | 4 | 1 | PT1020 | Drouin, M.; Couturier, M.; Crevisy, C.; Dory, Y. L.; Deslongchamps, P. | Two 14-Membered Macrocycles with <i>trans</i>-<i>trans</i> and <i>trans</i>-<i>cis</i> Dienes. Trimethyl (2<i>E</i>,4<i>E</i>)-<i>cis</i>- and Trimethyl (2<i>Z</i>,4<i>E</i>)-<i>trans</i>-11,15-Dioxobicyclo[12.3.0]heptadeca-2,4-diene-7,7,14-tricarboxylate | Acta Crystallographica Section C | 1,996 | 52 | 8 | 2084 | 2087 | 10.1107/S0108270195016817 | 1.54184 | CuKα | 0.152 | 0.072 | null | 0.1 | 0.077 | null | null | null | null | 1.32 | 1.32 | null | null | null | has coordinates | Drouin, M.; Couturier, M.; Crevisy, C.; Dory, Y. L.; Deslongchamps, P.
Two 14-Membered Macrocycles with <i>trans</i>-<i>trans</i> and <i>trans</i>-<i>cis</i> Dienes. Trimethyl (2<i>E</i>,4<i>E</i>)-<i>cis</i>- and Trimethyl (2<i>Z</i>,4<i>E</i>)-<i>trans</i>-11,15-Dioxobicyclo[12.3.0]heptadeca-2,4-diene-7,7,14-tricarbo... | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
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2,005,294 | 13.183 | 0.006 | 7.833 | 0.002 | 27.8 | 0.01 | 90 | null | 90.56 | 0.04 | 90 | null | 2,870.6 | 1.8 | 298 | 2 | 298 | 2 | null | null | null | null | 7 | P 1 21/c 1 | -P 2ybc | 14 | Tetrakis(1,2-dihydro-1-methyl-azine-2-thione)copper(I)tetrafluoroborate | - C24 H28 B Cu F4 N4 S4 - | - C24 H28 B Cu F4 N4 S4 - | - C96 H112 B4 Cu4 F16 N16 S16 - | 4 | 1 | SK1022 | Giusti, G.; Geier, G.; Currao, A.; Nesper, R. | Thione Compounds of Copper and Silver: Tetrakis[1-methyl-2(1<i>H</i>)-pyridinethione-<i>S</i>]copper(I) Tetrafluoroborate and Tetrakis-[1-methyl-2(1<i>H</i>)-pyridinethione-<i>S</i>]silver(I) Tetrafluoroborate | Acta Crystallographica Section C | 1,996 | 52 | 8 | 1914 | 1917 | 10.1107/S0108270196003666 | 0.71073 | MoKα | 0.0565 | 0.0493 | null | 0.1541 | 0.1326 | null | null | null | 1.049 | 1.049 | 1.049 | null | null | null | has coordinates | Giusti, G.; Geier, G.; Currao, A.; Nesper, R.
Thione Compounds of Copper and Silver: Tetrakis[1-methyl-2(1<i>H</i>)-pyridinethione-<i>S</i>]copper(I) Tetrafluoroborate and Tetrakis-[1-methyl-2(1<i>H</i>)-pyridinethione-<i>S</i>]silver(I) Tetrafluoroborate
Acta Crystallographica Section C
52(8)
(1996)
1914-1917 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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4,322,187 | 8.579 | 0.001 | 9.182 | 0.001 | 12.043 | 0.001 | 104.62 | 0.01 | 90.26 | 0.01 | 110.74 | 0.01 | 853.82 | 0.17 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P -1 | -P 1 | 2 | - B3 H3 N12 - | - B3 H3 N12 - | - B12 H12 N48 - | 4 | 2 | Robert T. Paine; Wolfgang Koestle; Theodore T. Borek; Gary L. Wood; Eugene A. Pruss; Eileen N. Duesler; Michael A. Hiskey | Synthesis, Characterization, and Explosive Properties of the Nitrogen-Rich Borazine [H3N3B3(N3)3] | Inorganic Chemistry | 1,999 | 38 | 3738 | 3743 | 10.1021/ic990316b | 0.71073 | MoKα | 0.0465 | 0.0289 | null | 0.0597 | null | 0.0576 | null | null | 1.003 | null | null | 1.193 | null | null | has coordinates | Robert T. Paine; Wolfgang Koestle; Theodore T. Borek; Gary L. Wood; Eugene A. Pruss; Eileen N. Duesler; Michael A. Hiskey
Synthesis, Characterization, and Explosive Properties of the Nitrogen-Rich Borazine [H3N3B3(N3)3]
Inorganic Chemistry
38
(1999)
3738-3743 | 176,467 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,005,295 | 13.35 | 0.003 | 7.755 | 0.003 | 28.028 | 0.008 | 90 | null | 90.15 | 0.02 | 90 | null | 2,901.7 | 1.5 | 200 | 2 | 200 | 2 | null | null | null | null | 7 | P 1 21/c 1 | -P 2ybc | 14 | Tetrakis(1,2-dihydro-1-methyl-azine-2-thione)silver(I)tetrafluoroborat | - C24 H28 Ag B F4 N4 S4 - | - C24 H28 Ag B F4 N4 S4 - | - C96 H112 Ag4 B4 F16 N16 S16 - | 4 | 1 | SK1022 | Giusti, G.; Geier, G.; Currao, A.; Nesper, R. | Thione Compounds of Copper and Silver: Tetrakis[1-methyl-2(1<i>H</i>)-pyridinethione-<i>S</i>]copper(I) Tetrafluoroborate and Tetrakis-[1-methyl-2(1<i>H</i>)-pyridinethione-<i>S</i>]silver(I) Tetrafluoroborate | Acta Crystallographica Section C | 1,996 | 52 | 8 | 1914 | 1917 | 10.1107/S0108270196003666 | 0.71073 | MoKα | 0.0502 | 0.0452 | null | 0.1282 | 0.1215 | null | null | null | 1.075 | 1.075 | 1.075 | null | null | null | has coordinates | Giusti, G.; Geier, G.; Currao, A.; Nesper, R.
Thione Compounds of Copper and Silver: Tetrakis[1-methyl-2(1<i>H</i>)-pyridinethione-<i>S</i>]copper(I) Tetrafluoroborate and Tetrakis-[1-methyl-2(1<i>H</i>)-pyridinethione-<i>S</i>]silver(I) Tetrafluoroborate
Acta Crystallographica Section C
52(8)
(1996)
1914-1917 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,005,296 | 8.704 | 0.001 | 12.636 | 0.001 | 17.819 | 0.002 | 90 | null | 90 | null | 90 | null | 1,959.8 | 0.4 | 293 | null | 293 | null | null | null | null | null | 5 | P 21 21 21 | P 2ac 2ab | 19 | [2R,2(1S),4S]-2-(2-Oxocyclopentyl)-4-phenyl-3-(p-toluenesulfonyl)- 1,3-oxazolidine | - C21 H23 N O4 S - | - C21 H23 N O4 S - | - C84 H92 N4 O16 S4 - | 4 | 1 | SK1036 | Bolte, M.; Berger, B. | An Arylsulfonyloxazolidine | Acta Crystallographica Section C | 1,996 | 52 | 8 | 1987 | 1989 | 10.1107/S0108270196007718 | 1.5418 | CuKα | 0.029 | 0.0286 | null | 0.0815 | 0.0811 | null | null | null | 1.018 | 1.026 | 1.026 | null | null | null | has coordinates | Bolte, M.; Berger, B.
An Arylsulfonyloxazolidine
Acta Crystallographica Section C
52(8)
(1996)
1987-1989 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
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2,005,297 | 11.916 | 0.003 | 6.132 | 0.001 | 17.832 | 0.003 | 90 | null | 101.88 | 0.01 | 90 | null | 1,275.1 | 0.4 | 298 | null | null | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C12 H13 N3 O2 S - | - C13 H14 N3 O2 S2 - | - C52 H56 N12 O8 S8 - | 4 | 1 | SZ1014 | Henry, R.; Copp, R. R.; Wong, C. F. | <i>N</i>-[1-(2-Benzo[<i>b</i>]thienyl)ethyl]-<i>N</i>'-carbamoylurea and 1-[1-(2-Benzo[<i>b</i>]thienyl)ethyl][1,3,5]triazine-2,4,6-trione Methanol Solvate | Acta Crystallographica Section C | 1,996 | 52 | 8 | 2032 | 2035 | 10.1107/S0108270195017215 | 1.54178 | CuKα | null | 0.043 | null | null | 0.042 | null | null | null | null | 2.91 | 2.91 | null | null | null | has coordinates | Henry, R.; Copp, R. R.; Wong, C. F.
<i>N</i>-[1-(2-Benzo[<i>b</i>]thienyl)ethyl]-<i>N</i>'-carbamoylurea and 1-[1-(2-Benzo[<i>b</i>]thienyl)ethyl][1,3,5]triazine-2,4,6-trione Methanol Solvate
Acta Crystallographica Section C
52(8)
(1996)
2032-2035 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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2,005,298 | 17.124 | 0.002 | 5.7739 | 0.0009 | 15.34 | 0.01 | 90 | null | 91.2 | 0.02 | 90 | null | 1,516.4 | 1 | 298 | null | null | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C14 H15 N3 O4 S - | - C14 H15 N3 O4 S - | - C56 H60 N12 O16 S4 - | 4 | 1 | SZ1014 | Henry, R.; Copp, R. R.; Wong, C. F. | <i>N</i>-[1-(2-Benzo[<i>b</i>]thienyl)ethyl]-<i>N</i>'-carbamoylurea and 1-[1-(2-Benzo[<i>b</i>]thienyl)ethyl][1,3,5]triazine-2,4,6-trione Methanol Solvate | Acta Crystallographica Section C | 1,996 | 52 | 8 | 2032 | 2035 | 10.1107/S0108270195017215 | 1.54178 | CuKα | null | 0.05 | null | null | 0.064 | null | null | null | null | 3 | 3 | null | null | null | has coordinates | Henry, R.; Copp, R. R.; Wong, C. F.
<i>N</i>-[1-(2-Benzo[<i>b</i>]thienyl)ethyl]-<i>N</i>'-carbamoylurea and 1-[1-(2-Benzo[<i>b</i>]thienyl)ethyl][1,3,5]triazine-2,4,6-trione Methanol Solvate
Acta Crystallographica Section C
52(8)
(1996)
2032-2035 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,005,299 | 10.144 | 0.004 | 10.962 | 0.003 | 15.683 | 0.003 | 90 | null | 90 | null | 90 | null | 1,743.9 | 0.9 | 293 | null | null | null | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | 19 | - C20 H26 O5 - | - C20 H26 O5 - | - C80 H104 O20 - | 4 | 1 | SZ1020 | Sivaraman, J.; Subramanian, K.; Vasanth, S. | Leonotinin | Acta Crystallographica Section C | 1,996 | 52 | 8 | 2043 | 2045 | 10.1107/S0108270195010195 | 0.71073 | MoKα | null | 0.057 | null | null | 0.058 | null | null | null | null | 1.08 | 1.08 | null | null | null | has coordinates | Sivaraman, J.; Subramanian, K.; Vasanth, S.
Leonotinin
Acta Crystallographica Section C
52(8)
(1996)
2043-2045 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,005,300 | 26.287 | 0.005 | 7.44 | 0.002 | 17.775 | 0.004 | 90 | null | 127.64 | 0.02 | 90 | null | 2,752.8 | 1.3 | 273 | null | null | null | null | null | null | null | 3 | C 1 2/c 1 | -C 2yc | 15 | - C16 H20 O3 - | - C16 H20 O3 - | - C128 H160 O24 - | 8 | 1 | SZ1027 | Kabaleeswaran, V.; Rajan, S. S.; Kalena, G. P.; Pradhan, P.; Banerji, A. | (1α,3α,11α)-2,2,11-Trimethyl-14-oxatetracyclo[6.5.0.1^7,11^.0^3,8^]tetradec-6-ene-5,9-dione | Acta Crystallographica Section C | 1,996 | 52 | 8 | 1981 | 1983 | 10.1107/S0108270195010201 | 1.5418 | CuKα | null | 0.041 | null | null | 0.051 | null | null | null | null | 0.75 | 0.75 | null | null | null | has coordinates | Kabaleeswaran, V.; Rajan, S. S.; Kalena, G. P.; Pradhan, P.; Banerji, A.
(1α,3α,11α)-2,2,11-Trimethyl-14-oxatetracyclo[6.5.0.1^7,11^.0^3,8^]tetradec-6-ene-5,9-dione
Acta Crystallographica Section C
52(8)
(1996)
1981-1983 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
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2,005,301 | 10.563 | 0.002 | 16.902 | 0.002 | 9.297 | 0.002 | 90 | null | 90 | null | 90 | null | 1,659.8 | 0.5 | 295 | null | 295 | null | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | 2-(1',3'-dioxolan-2'-yl)-2-methyl-6-nitro -4-(2'-oxopyrrolidin-1'-yl)-2H-1-benzopyran | - C17 H18 N2 O6 - | - C17 H18 N2 O6 - | - C68 H72 N8 O24 - | 4 | 1 | TA1029 | Shin, W.; Chae, C. H.; Yoo, S. E. | Antihypertensive 2-(1,3-Dioxolan-2-yl)-2-methyl-6-nitro-4-(2-oxo-1-pyrrolidinyl)-2<i>H</i>-1-benzopyran | Acta Crystallographica Section C | 1,996 | 52 | 8 | 2058 | 2060 | 10.1107/S010827019600248X | 1.54184 | CuKα | 0.0486 | 0.0341 | null | 0.1335 | 0.0907 | null | null | null | 1.495 | 1.08 | 1.08 | null | null | null | has coordinates | Shin, W.; Chae, C. H.; Yoo, S. E.
Antihypertensive 2-(1,3-Dioxolan-2-yl)-2-methyl-6-nitro-4-(2-oxo-1-pyrrolidinyl)-2<i>H</i>-1-benzopyran
Acta Crystallographica Section C
52(8)
(1996)
2058-2060 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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4,322,186 | 9.6717 | 0.0019 | 10.576 | 0.002 | 17.653 | 0.002 | 80.216 | 0.013 | 83.631 | 0.015 | 84.642 | 0.017 | 1,763.3 | 0.5 | 256 | 2 | 256 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | Cu2[(C6H5)3P]4B6H6 | - C76 H72 B6 Cu2 N2 P4 - | - C76 H66 B6 Cu2 N2 P4 - | - C76 H66 B6 Cu2 N2 P4 - | 1 | 0.5 | Raifah M. Kabbani; Arnold L. Rheingold; Kin-Chung Lam; Yevgeniy Margulis; Max Vovchenko | Synthesis and Crystal Structure of a New Hexahydro-closo-hexaborate Copper(I) Complex Cu2[(C6H5)3P]4B6H6 | Inorganic Chemistry | 1,999 | 38 | 3748 | 3750 | 10.1021/ic990248t | 0.71073 | MoKα | 0.1064 | 0.0597 | null | null | 0.1286 | 0.1499 | null | null | null | null | null | 1.013 | null | null | has coordinates | Raifah M. Kabbani; Arnold L. Rheingold; Kin-Chung Lam; Yevgeniy Margulis; Max Vovchenko
Synthesis and Crystal Structure of a New Hexahydro-closo-hexaborate Copper(I) Complex Cu2[(C6H5)3P]4B6H6
Inorganic Chemistry
38
(1999)
3748-3750 | 179,324 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-23 15:22:11 +0200 (Wed, 23 Mar 2016) $
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2,005,302 | 8.809 | 0.001 | 10.42 | 0.001 | 9.642 | 0.001 | 90 | null | 90 | null | 90 | null | 885.04 | 0.16 | 291 | 2 | 291 | 2 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | 4,4'-Oxybispyridine | - C10 H8 N2 O - | - C10 H8 N2 O - | - C40 H32 N8 O4 - | 4 | 1 | TA1056 | Dunne, S. J.; von Nagy-Felsobuki, E. I.; Mackay, M. F. | 4,4'-Oxybispyridine and 4,4'-Selenobispyridine | Acta Crystallographica Section C | 1,996 | 52 | 8 | 2040 | 2042 | 10.1107/S0108270195014843 | 1.5418 | CuKα | null | 0.048 | null | 0.098 | 0.078 | null | null | null | 0.838 | 0.838 | 0.838 | null | null | null | has coordinates | Dunne, S. J.; von Nagy-Felsobuki, E. I.; Mackay, M. F.
4,4'-Oxybispyridine and 4,4'-Selenobispyridine
Acta Crystallographica Section C
52(8)
(1996)
2040-2042 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,005,303 | 8.609 | 0.002 | 5.769 | 0.002 | 10.478 | 0.003 | 72.81 | 0.04 | 70.12 | 0.02 | 80.92 | 0.03 | 466.6 | 0.3 | 291 | 1 | 291 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | 4,4'-Selenobispyridine | - C10 H8 N2 Se - | - C10 H8 N2 Se - | - C20 H16 N4 Se2 - | 2 | 1 | TA1056 | Dunne, S. J.; von Nagy-Felsobuki, E. I.; Mackay, M. F. | 4,4'-Oxybispyridine and 4,4'-Selenobispyridine | Acta Crystallographica Section C | 1,996 | 52 | 8 | 2040 | 2042 | 10.1107/S0108270195014843 | 1.5418 | CuKα | 0.039 | 0.039 | null | 0.105 | 0.094 | null | null | null | 1.068 | null | null | null | null | null | has coordinates | Dunne, S. J.; von Nagy-Felsobuki, E. I.; Mackay, M. F.
4,4'-Oxybispyridine and 4,4'-Selenobispyridine
Acta Crystallographica Section C
52(8)
(1996)
2040-2042 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
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2,005,304 | 6.7134 | 0.0008 | 9.8931 | 0.0009 | 17.485 | 0.001 | 90 | null | 92.101 | 0.008 | 90 | null | 1,160.51 | 0.19 | 294 | null | null | null | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | - C16 H14 O2 - | - C16 H14 O2 - | - C64 H56 O8 - | 4 | 1 | TA1064 | Linetsky, M.; Zaragoza, F.; Bott, S. G.; Marchand, A. P. | Two Methylated Hexacyclic Cage Diketones | Acta Crystallographica Section C | 1,996 | 52 | 8 | 2061 | 2063 | 10.1107/S0108270196001667 | 0.71073 | MoKα | null | 0.0384 | null | null | 0.0416 | null | null | null | null | 1.36 | 1.36 | null | null | null | has coordinates | Linetsky, M.; Zaragoza, F.; Bott, S. G.; Marchand, A. P.
Two Methylated Hexacyclic Cage Diketones
Acta Crystallographica Section C
52(8)
(1996)
2061-2063 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
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2,005,305 | 7.175 | 0.001 | 12.0275 | 0.0008 | 7.275 | 0.001 | 90 | null | 95.51 | 0.009 | 90 | null | 624.91 | 0.13 | 294 | null | null | null | null | null | null | null | 3 | P 1 21/m 1 | -P 2yb | 11 | - C17 H16 O2 - | - C17 H16 O2 - | - C34 H32 O4 - | 2 | 0.5 | TA1064 | Linetsky, M.; Zaragoza, F.; Bott, S. G.; Marchand, A. P. | Two Methylated Hexacyclic Cage Diketones | Acta Crystallographica Section C | 1,996 | 52 | 8 | 2061 | 2063 | 10.1107/S0108270196001667 | 0.71073 | MoKα | null | 0.0676 | null | null | 0.0805 | null | null | null | null | 2.1 | 2.1 | null | null | null | has coordinates | Linetsky, M.; Zaragoza, F.; Bott, S. G.; Marchand, A. P.
Two Methylated Hexacyclic Cage Diketones
Acta Crystallographica Section C
52(8)
(1996)
2061-2063 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
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2,005,306 | 9.932 | 0.001 | 35.972 | 0.006 | 30.363 | 0.004 | 90 | null | 90 | null | 90 | null | 10,848 | 3 | 293 | 1 | 293 | 1 | null | null | null | null | 6 | P b c a | -P 2ac 2ab | 61 | - C31 H25 N O Se Sn - | - C31 H25 N O Se Sn - | - C496 H400 N16 O16 Se16 Sn16 - | 16 | 2 | TA1069 | Fong, M. C.; Gable, R. W.; Schiesser, C. H. | <i>N</i>-Phenyl-2-(triphenylstannylseleno)benzamide and 2-Methylseleno-<i>N</i>-phenylbenzamide | Acta Crystallographica Section C | 1,996 | 52 | 8 | 1886 | 1889 | 10.1107/S0108270196000790 | 0.71073 | MoKα | 0.0779 | 0.039 | null | 0.0786 | 0.0625 | null | null | null | 1.022 | 1.141 | 1.141 | null | null | null | has coordinates | Fong, M. C.; Gable, R. W.; Schiesser, C. H.
<i>N</i>-Phenyl-2-(triphenylstannylseleno)benzamide and 2-Methylseleno-<i>N</i>-phenylbenzamide
Acta Crystallographica Section C
52(8)
(1996)
1886-1889 | 201,955 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-10-13 03:08:28 +0300 (Fri, 13 Oct 2017) $
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2,005,307 | 9.777 | 0.002 | 16.692 | 0.002 | 15.82 | 0.001 | 90 | null | 90 | null | 90 | null | 2,581.8 | 0.6 | 293 | 1 | 293 | 1 | null | null | null | null | 5 | P b c a | -P 2ac 2ab | 61 | 2-methylseleno-N-phenylbenzamide | - C14 H13 N O Se - | - C14 H13 N O Se - | - C112 H104 N8 O8 Se8 - | 8 | 1 | TA1069 | Fong, M. C.; Gable, R. W.; Schiesser, C. H. | <i>N</i>-Phenyl-2-(triphenylstannylseleno)benzamide and 2-Methylseleno-<i>N</i>-phenylbenzamide | Acta Crystallographica Section C | 1,996 | 52 | 8 | 1886 | 1889 | 10.1107/S0108270196000790 | 1.5418 | CuKα(nickelfiltered) | 0.0392 | 0.029 | null | 0.0795 | 0.0731 | null | null | null | 1.049 | 1.08 | 1.08 | null | null | null | has coordinates | Fong, M. C.; Gable, R. W.; Schiesser, C. H.
<i>N</i>-Phenyl-2-(triphenylstannylseleno)benzamide and 2-Methylseleno-<i>N</i>-phenylbenzamide
Acta Crystallographica Section C
52(8)
(1996)
1886-1889 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
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2,005,308 | 8.754 | 0.002 | 8.91 | 0.001 | 12.992 | 0.002 | 90 | null | 90 | null | 90 | null | 1,013.4 | 0.3 | 158 | 2 | 158 | 2 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | 2,2,6,6-Tetramethylpiperidinium chloride | - C9 H20 Cl N - | - C9 H20 Cl N - | - C36 H80 Cl4 N4 - | 4 | 1 | TA1077 | Kaplan, R. W.; Turnbull, M. M. | 2,2,6,6-Tetramethylpiperidinium Chloride | Acta Crystallographica Section C | 1,996 | 52 | 8 | 2049 | 2051 | 10.1107/S0108270196001679 | 0.71073 | MoKα | 0.0551 | 0.0405 | null | 0.0845 | 0.0804 | null | null | null | 0.819 | 0.889 | 0.889 | null | null | null | has coordinates | Kaplan, R. W.; Turnbull, M. M.
2,2,6,6-Tetramethylpiperidinium Chloride
Acta Crystallographica Section C
52(8)
(1996)
2049-2051 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,005,309 | 11.663 | 0.002 | 10.187 | 0.002 | 27.703 | 0.005 | 90 | null | 102.3 | 0.1 | 90 | null | 3,215.9 | 1.6 | 293 | null | 293 | null | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | (3α,3aβ,5α,6α)-(+/-)-3,5-Bis-(methoxycarbonyl)-3a-methyl-6-phenyl tetrahydro-2H-pyran-2-one | - C16 H18 O6 - | - C16 H18 O6 - | - C128 H144 O48 - | 8 | 2 | TA1078 | Fallon, G. D.; Lawrence, R. M.; Perlmutter, P. | (±)-3α,5α-Bis(methoxycarbonyl)-3β-methyl-6α-phenyltetrahydro-2<i>H</i>-pyran-2-one | Acta Crystallographica Section C | 1,996 | 52 | 8 | 2067 | 2069 | 10.1107/S0108270196002089 | 1.5418 | CuKα | null | 0.0677 | null | null | 0.0628 | null | null | null | null | 1.584 | 1.584 | null | null | null | has coordinates | Fallon, G. D.; Lawrence, R. M.; Perlmutter, P.
(±)-3α,5α-Bis(methoxycarbonyl)-3β-methyl-6α-phenyltetrahydro-2<i>H</i>-pyran-2-one
Acta Crystallographica Section C
52(8)
(1996)
2067-2069 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,005,310 | 8.971 | 0.001 | 15.511 | 0.002 | 8.329 | 0.001 | 102.85 | 0.01 | 111.46 | 0.01 | 73.67 | 0.01 | 1,025.8 | 0.2 | 293 | null | 296 | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C36 H46 N4 O12 V4 - | - C36 H46 N4 O12 V4 - | - C36 H46 N4 O12 V4 - | 1 | 0.5 | TA1088 | Kumagai, H.; Endo, M.; Kawata, S.; Kitagawa, S. | A Mixed-Valence Tetranuclear Vanadium(IV, V) Complex, [V~4~O~4~(μ-OEt)~2~(μ-O)~2~(OEt)~4~(phen)~2~] | Acta Crystallographica Section C | 1,996 | 52 | 8 | 1943 | 1945 | 10.1107/S0108270196005781 | 0.7107 | MoKα | null | 0.06 | null | null | 0.054 | null | null | null | null | 3.53 | 3.53 | null | null | null | has coordinates | Kumagai, H.; Endo, M.; Kawata, S.; Kitagawa, S.
A Mixed-Valence Tetranuclear Vanadium(IV, V) Complex, [V~4~O~4~(μ-OEt)~2~(μ-O)~2~(OEt)~4~(phen)~2~]
Acta Crystallographica Section C
52(8)
(1996)
1943-1945 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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4,322,185 | 16.2535 | 0.0011 | 16.2535 | 0.0011 | 8.1426 | 0.0007 | 90 | null | 90 | null | 90 | null | 2,151.1 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 4/n :2 | -P 4a | 85 | - C4 H4.5 Cu O6.25 - | - C4 H4 Cu0.833333 O6.25 - | - C48 H48 Cu10 O75 - | 12 | 1.5 | Hazel-Ann Hosein; Hema Jaggernauth; Bert D. Alleyne; Lincoln A. Hall; Andrew J. P. White; David J. Williams | First-Row Transition-Metal Complexes of the 1-Methoxycyclobutenedionate(1-) Ion | Inorganic Chemistry | 1,999 | 38 | 3716 | 3720 | 10.1021/ic990199k | 0.71073 | MoKα | 0.0612 | 0.0451 | null | 0.1219 | 0.1126 | null | null | null | 1.121 | 1.167 | 1.167 | null | null | null | has coordinates | Hazel-Ann Hosein; Hema Jaggernauth; Bert D. Alleyne; Lincoln A. Hall; Andrew J. P. White; David J. Williams
First-Row Transition-Metal Complexes of the 1-Methoxycyclobutenedionate(1-) Ion
Inorganic Chemistry
38
(1999)
3716-3720 | 176,467 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
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2,005,311 | 7.471 | 0.004 | 21.635 | 0.004 | 10.346 | 0.003 | 90 | null | 104.32 | 0.03 | 90 | null | 1,620.3 | 1.1 | 193 | null | 193 | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | - C16 H16 O6 Sn - | - C16 H16 O6 Sn - | - C64 H64 O24 Sn4 - | 4 | 1 | TA1090 | Basu Baul, T. S.; Tiekink, E. R. T. | Bis(2-hydroxybenzoato-<i>O</i>,<i>O</i>')dimethyltin | Acta Crystallographica Section C | 1,996 | 52 | 8 | 1959 | 1961 | 10.1107/S0108270196005057 | 0.7107 | MoKα | 0.064 | 0.064 | null | 0.085 | 0.085 | null | null | null | 1.267 | 1.267 | 1.267 | null | null | null | has coordinates | Basu Baul, T. S.; Tiekink, E. R. T.
Bis(2-hydroxybenzoato-<i>O</i>,<i>O</i>')dimethyltin
Acta Crystallographica Section C
52(8)
(1996)
1959-1961 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,005,312 | 20.992 | 0.002 | 6.948 | 0.001 | 10.083 | 0.001 | 90 | null | 102.15 | 0.01 | 90 | null | 1,437.7 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/a 1 | -P 2yab | 14 | - C8 H16 N8 O5 S - | - C8 H16 N8 O5 S - | - C32 H64 N32 O20 S4 - | 4 | 1 | VJ1008 | Gomes, A. C.; Biswas, G.; Pain (Biswas), S.; Ghosh, S.; Ghosh, D.; Iitaka, Y.; Banerjee, A. | Bis(2,4-diaminopyrimidinium) Sulfate Monohydrate, 2C~4~H~7~N~4~^+^.SO~4~^2{-^}.H~2~O | Acta Crystallographica Section C | 1,996 | 52 | 8 | 2020 | 2022 | 10.1107/S0108270195009656 | 1.5418 | CuKα | 0.0568 | 0.0549 | null | 0.1631 | 0.1514 | null | null | null | 1.087 | 1.096 | 1.096 | null | null | null | has coordinates | Gomes, A. C.; Biswas, G.; Pain (Biswas), S.; Ghosh, S.; Ghosh, D.; Iitaka, Y.; Banerjee, A.
Bis(2,4-diaminopyrimidinium) Sulfate Monohydrate, 2C~4~H~7~N~4~^+^.SO~4~^2{-^}.H~2~O
Acta Crystallographica Section C
52(8)
(1996)
2020-2022 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,005,313 | 9.5704 | 0.0009 | 13.364 | 0.002 | 8.748 | 0.002 | 90 | null | 108.83 | 0.01 | 90 | null | 1,059 | 0.3 | 298 | 2 | 298 | 2 | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | Ferron | 7-Iodo-8-hydroxyquinoline-5-sulfonic Acid | - C9 H6 I N O4 S - | - C9 H6 I N O4 S - | - C36 H24 I4 N4 O16 S4 - | 4 | 1 | VJ1024 | Balasubramanian, T.; Muthiah, P. T. | Hydrogen-Bonding Patterns in Substituted Oxines. Redetermination of 8-Hydroxy-7-iodoquinoline-5-sulfonic Acid | Acta Crystallographica Section C | 1,996 | 52 | 8 | 2072 | 2073 | 10.1107/S0108270195010286 | 0.71073 | MoKα | 0.0398 | 0.0298 | null | 0.0743 | 0.0689 | null | null | null | 1.077 | 1.097 | 1.097 | null | null | null | has coordinates | Balasubramanian, T.; Muthiah, P. T.
Hydrogen-Bonding Patterns in Substituted Oxines. Redetermination of 8-Hydroxy-7-iodoquinoline-5-sulfonic Acid
Acta Crystallographica Section C
52(8)
(1996)
2072-2073 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
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2,005,314 | 5.84 | 0.003 | 8.063 | 0.006 | 12.923 | 0.007 | 90 | null | 101.74 | 0.06 | 90 | null | 595.8 | 0.6 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 1 21 1 | P 2yb | 4 | Methyl 6-O-[(R)-1-Carboxyethyl]-α-D-galactopyranoside | - C10 H18 O8 - | - C10 H18 O8 - | - C20 H36 O16 - | 2 | 1 | AB1291 | Eriksson, L.; Pilotti, Å.; Stenutz, R.; Widmalm, G. | Methyl 6-<i>O</i>-[(<i>R</i>)-1-Carboxyethyl]-α-<small>D</small>-galactopyranoside | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2285 | 2287 | 10.1107/S0108270196003411 | 1.54184 | CuKα | 0.0817 | 0.0562 | null | 0.16 | 0.1411 | null | null | null | 1.072 | 1.111 | 1.111 | null | null | null | has coordinates | Eriksson, L.; Pilotti, Å.; Stenutz, R.; Widmalm, G.
Methyl 6-<i>O</i>-[(<i>R</i>)-1-Carboxyethyl]-α-<small>D</small>-galactopyranoside
Acta Crystallographica Section C
52(9)
(1996)
2285-2287 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
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2,005,315 | 5.6286 | 0.0007 | 10.257 | 0.001 | 12.0111 | 0.0005 | 100.924 | 0.007 | 100.118 | 0.006 | 101.45 | 0.01 | 650.72 | 0.11 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C13 H12 N2 O5 - | - C13 H11.55 N2 O5 - | - C26 H23.1 N4 O10 - | 2 | 1 | AB1339 | Vencato, I.; Gallardo, H.; Meyer, E. | 4-(5-Methyl-1,3,4-oxadiazol-2-yl)-1,3-phenylene Diacetate | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2301 | 2303 | 10.1107/S0108270196004039 | 0.71073 | MoKα | 0.0548 | 0.0417 | null | 0.1421 | 0.123 | null | null | null | 1.083 | 1.047 | 1.047 | null | null | null | has coordinates | Vencato, I.; Gallardo, H.; Meyer, E.
4-(5-Methyl-1,3,4-oxadiazol-2-yl)-1,3-phenylene Diacetate
Acta Crystallographica Section C
52(9)
(1996)
2301-2303 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,005,316 | 10.898 | 0.0013 | 7.6993 | 0.0006 | 20.713 | 0.002 | 90 | null | 103.971 | 0.008 | 90 | null | 1,686.6 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | meta-diphenylcarborane | 1,7-diphenyl-1,7-dicarbadodecaborane | - C14 H20 B10 - | - C14 H20 B10 - | - C56 H80 B40 - | 4 | 1 | AB1346 | Rosair, G. M.; Welch, A. J.; Weller, A. S. | Redetermination of 1,7-Diphenyl-1,7-dicarba-<i>closo</i>-dodecaborane(12) | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2221 | 2222 | 10.1107/S0108270196002107 | 0.71073 | MoKα | 0.0945 | 0.0601 | null | 0.2465 | 0.1477 | null | null | null | 1.02 | 1.068 | 1.068 | null | null | null | has coordinates | Rosair, G. M.; Welch, A. J.; Weller, A. S.
Redetermination of 1,7-Diphenyl-1,7-dicarba-<i>closo</i>-dodecaborane(12)
Acta Crystallographica Section C
52(9)
(1996)
2221-2222 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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4,322,184 | 12.398 | 0.002 | 13.1594 | 0.0015 | 8.7505 | 0.0008 | 90 | null | 96.709 | 0.009 | 90 | null | 1,417.9 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | 15 | - C10 H14 O12 Zn - | - C10 H14 O12 Zn - | - C40 H56 O48 Zn4 - | 4 | 0.5 | Hazel-Ann Hosein; Hema Jaggernauth; Bert D. Alleyne; Lincoln A. Hall; Andrew J. P. White; David J. Williams | First-Row Transition-Metal Complexes of the 1-Methoxycyclobutenedionate(1-) Ion | Inorganic Chemistry | 1,999 | 38 | 3716 | 3720 | 10.1021/ic990199k | 0.71073 | MoKα | 0.0641 | 0.0404 | null | 0.089 | 0.0789 | null | null | null | 1.037 | 1.068 | 1.068 | null | null | null | has coordinates | Hazel-Ann Hosein; Hema Jaggernauth; Bert D. Alleyne; Lincoln A. Hall; Andrew J. P. White; David J. Williams
First-Row Transition-Metal Complexes of the 1-Methoxycyclobutenedionate(1-) Ion
Inorganic Chemistry
38
(1999)
3716-3720 | 179,324 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-23 15:22:11 +0200 (Wed, 23 Mar 2016) $
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2,005,317 | 9.673 | 0.001 | 20.021 | 0.002 | 10.571 | 0.002 | 90 | null | 90.89 | 0.01 | 90 | null | 2,047 | 0.5 | 295 | null | null | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | - C14 H29 B10 P - | - C14 H29 B10 P - | - C56 H116 B40 P4 - | 4 | 1 | AB1350 | Sillanpää, R.; Kivekäs, R.; Teixidor, F.; Viñas, C.; Nuñez, R. | 1-Diisopropylphosphino-2-phenyl-1,2-dicarba-<i>closo</i>-dodecaborane(12) | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2223 | 2225 | 10.1107/S0108270196004349 | 0.71073 | MoKα | null | 0.057 | null | null | 0.058 | null | null | null | null | 1.626 | 1.626 | null | null | null | has coordinates | Sillanpää, R.; Kivekäs, R.; Teixidor, F.; Viñas, C.; Nuñez, R.
1-Diisopropylphosphino-2-phenyl-1,2-dicarba-<i>closo</i>-dodecaborane(12)
Acta Crystallographica Section C
52(9)
(1996)
2223-2225 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,005,318 | 8.999 | 0.001 | 18.174 | 0.002 | 7.857 | 0.001 | 90 | null | 109.86 | 0.01 | 90 | null | 1,208.6 | 0.3 | 290 | null | null | null | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | - C20 H44 Cl2 Cu N4 O2 - | - C20 H44 Cl2 Cu N4 O2 - | - C40 H88 Cl4 Cu2 N8 O4 - | 2 | 0.5 | AS1220 | Choi, K.-Y.; Kim, J. C.; Jensen, W. P.; Suh, I.-H.; Choi, S.-S. | Copper(II) and Nickel(II) Complexes with 3,14-Dimethyl-2,6,13,17-tetraazatricyclo[16.4.0.0^7,12^]docosane, [<i>M</i>(C~20~H~40~N~4~)]Cl~2~.2H~2~O (<i>M</i> = Cu^II^ and Ni^II^) | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2166 | 2168 | 10.1107/S0108270196002600 | 0.71073 | MoKα | null | 0.026 | null | null | 0.021 | null | null | null | null | 2.67 | 2.67 | null | null | null | has coordinates | Choi, K.-Y.; Kim, J. C.; Jensen, W. P.; Suh, I.-H.; Choi, S.-S.
Copper(II) and Nickel(II) Complexes with 3,14-Dimethyl-2,6,13,17-tetraazatricyclo[16.4.0.0^7,12^]docosane, [<i>M</i>(C~20~H~40~N~4~)]Cl~2~.2H~2~O (<i>M</i> = Cu^II^ and Ni^II^)
Acta Crystallographica Section C
52(9)
(1996)
2166-2168 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
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2,005,319 | 9.376 | 0.001 | 16.042 | 0.001 | 8.177 | 0.002 | 90 | null | 102.51 | 0.01 | 90 | null | 1,200.7 | 0.3 | 293 | null | null | null | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | - C20 H44 Cl2 N4 Ni O2 - | - C20 H44 Cl2 N4 Ni O2 - | - C40 H88 Cl4 N8 Ni2 O4 - | 2 | 0.5 | AS1220 | Choi, K.-Y.; Kim, J. C.; Jensen, W. P.; Suh, I.-H.; Choi, S.-S. | Copper(II) and Nickel(II) Complexes with 3,14-Dimethyl-2,6,13,17-tetraazatricyclo[16.4.0.0^7,12^]docosane, [<i>M</i>(C~20~H~40~N~4~)]Cl~2~.2H~2~O (<i>M</i> = Cu^II^ and Ni^II^) | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2166 | 2168 | 10.1107/S0108270196002600 | 0.71073 | MoKα | null | 0.039 | null | null | 0.024 | null | null | null | null | 1.45 | 1.45 | null | null | null | has coordinates | Choi, K.-Y.; Kim, J. C.; Jensen, W. P.; Suh, I.-H.; Choi, S.-S.
Copper(II) and Nickel(II) Complexes with 3,14-Dimethyl-2,6,13,17-tetraazatricyclo[16.4.0.0^7,12^]docosane, [<i>M</i>(C~20~H~40~N~4~)]Cl~2~.2H~2~O (<i>M</i> = Cu^II^ and Ni^II^)
Acta Crystallographica Section C
52(9)
(1996)
2166-2168 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/53/2005319.cif $
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2,005,320 | 9.748 | 0.002 | 19.08 | 0.003 | 9.955 | 0.002 | 90 | null | 109.14 | 0.01 | 90 | null | 1,749.2 | 0.6 | 291 | null | 291 | null | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | - C20 H10 F8 - | - C20 H10 F8 - | - C80 H40 F32 - | 4 | 1 | BK1151 | Swenson, D. C.; Morken, P. A.; Burton, D. J. | C~20~H~10~F~8~, a Divinyl Acetylene | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2349 | 2351 | 10.1107/S0108270196004441 | 1.54184 | CuKα | 0.078 | 0.05 | null | null | 0.076 | null | null | null | null | 1.46 | 1.46 | null | null | null | has coordinates | Swenson, D. C.; Morken, P. A.; Burton, D. J.
C~20~H~10~F~8~, a Divinyl Acetylene
Acta Crystallographica Section C
52(9)
(1996)
2349-2351 | 278,324 | 2022-10-03 | 14:41:53 | #------------------------------------------------------------------------------
#$Date: 2022-10-03 17:40:12 +0300 (Mon, 03 Oct 2022) $
#$Revision: 278324 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/53/2005320.cif $
#-------------------------------------------------------------------... | |||||||||||
2,005,321 | 41.121 | 0.002 | 7.039 | 0.002 | 7.085 | 0.002 | 90 | null | 94.9 | 0.01 | 90 | null | 2,043.3 | 0.8 | 296 | null | 296 | null | null | null | null | null | 3 | C 1 2/c 1 | -C 2yc | 15 | Biphenyl-3-carboxylic acid | - C13 H10 O2 - | - C13 H10 O2 - | - C104 H80 O16 - | 8 | 1 | BK1218 | Blackburn, A. C.; Dobson, A. J.; Gerkin, R. E. | Biphenyl-3-carboxylic Acid at 296 and 203K | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2320 | 2323 | 10.1107/S0108270196003514 | 0.71073 | MoKα | null | 0.044 | null | null | 0.056 | null | null | null | null | 1.98 | 1.98 | null | null | null | has coordinates | Blackburn, A. C.; Dobson, A. J.; Gerkin, R. E.
Biphenyl-3-carboxylic Acid at 296 and 203K
Acta Crystallographica Section C
52(9)
(1996)
2320-2323 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/53/2005321.cif $
#-------------------------------------------------------------------... | ||||||||||
2,005,322 | 41.065 | 0.003 | 6.965 | 0.003 | 7.051 | 0.003 | 90 | null | 94.83 | 0.02 | 90 | null | 2,009.5 | 1.2 | 203 | null | 203 | null | null | null | null | null | 3 | C 1 2/c 1 | -C 2yc | 15 | Biphenyl-3-carboxylic acid | - C13 H10 O2 - | - C13 H10 O2 - | - C104 H80 O16 - | 8 | 1 | BK1218 | Blackburn, A. C.; Dobson, A. J.; Gerkin, R. E. | Biphenyl-3-carboxylic Acid at 296 and 203K | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2320 | 2323 | 10.1107/S0108270196003514 | 0.71073 | MoKα | null | 0.039 | null | null | 0.049 | null | null | null | null | 1.79 | 1.79 | null | null | null | has coordinates | Blackburn, A. C.; Dobson, A. J.; Gerkin, R. E.
Biphenyl-3-carboxylic Acid at 296 and 203K
Acta Crystallographica Section C
52(9)
(1996)
2320-2323 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/53/2005322.cif $
#-------------------------------------------------------------------... | ||||||||||
2,005,323 | 18.244 | 0.006 | 5.403 | 0.002 | 24.48 | 0.008 | 90 | null | 106.94 | 0.05 | 90 | null | 2,308.3 | 1.5 | 293 | null | 293 | null | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | 2,4,6-tri-O-benzyl-myo-inositol | - C27 H30 O6 - | - C27 H28 O6 - | - C108 H112 O24 - | 4 | 1 | BK1230 | Graingeot, V.; Brigando, C.; Benlian, D. | 2,4,6-Tri-<i>O</i>-benzyl-<i>myo</i>-inositol | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2283 | 2285 | 10.1107/S0108270196004684 | 0.71073 | MoKα | null | 0.048 | null | null | 0.06 | null | null | null | null | 2.1 | 2.1 | null | null | null | has coordinates | Graingeot, V.; Brigando, C.; Benlian, D.
2,4,6-Tri-<i>O</i>-benzyl-<i>myo</i>-inositol
Acta Crystallographica Section C
52(9)
(1996)
2283-2285 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/53/2005323.cif $
#-------------------------------------------------------------------... | ||||||||||
2,005,324 | 18.13 | 0.006 | 12.194 | 0.004 | 8.461 | 0.003 | 90 | null | 108.82 | 0.03 | 90 | null | 1,770.5 | 1.1 | 160 | 2 | 160 | 2 | null | null | null | null | 6 | C 1 2/c 1 | -C 2yc | 15 | 3,5-(o-tolyl)-1,2-dithia-4-azolylium hexafluoroarsenate(V) | - C16 H14 As F6 N S2 - | - C16 H14 As F6 N S2 - | - C64 H56 As4 F24 N4 S8 - | 4 | 0.5 | BK1238 | Clegg, W.; Elsegood, M. R. J.; Banister, A. J.; Hibbert, T. G. | The AsF~6~^{-^} Salt of a 1,2-Dithia-4-azolylium Cation with Sterically Demanding Substituents | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2148 | 2150 | 10.1107/S010827019600563X | 0.71073 | MoKα | 0.0417 | 0.0362 | null | 0.0971 | 0.094 | null | null | null | 1.091 | 1.117 | 1.117 | null | null | null | has coordinates | Clegg, W.; Elsegood, M. R. J.; Banister, A. J.; Hibbert, T. G.
The AsF~6~^{-^} Salt of a 1,2-Dithia-4-azolylium Cation with Sterically Demanding Substituents
Acta Crystallographica Section C
52(9)
(1996)
2148-2150 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/53/2005324.cif $
#-------------------------------------------------------------------... | ||||||||||
4,322,183 | 12.5651 | 0.0005 | 13.2138 | 0.0004 | 8.8586 | 0.0005 | 90 | null | 97.094 | 0.004 | 90 | null | 1,459.56 | 0.11 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | 15 | - C10 H14 Mn O12 - | - C10 H14 Mn O12 - | - C40 H56 Mn4 O48 - | 4 | 0.5 | Hazel-Ann Hosein; Hema Jaggernauth; Bert D. Alleyne; Lincoln A. Hall; Andrew J. P. White; David J. Williams | First-Row Transition-Metal Complexes of the 1-Methoxycyclobutenedionate(1-) Ion | Inorganic Chemistry | 1,999 | 38 | 3716 | 3720 | 10.1021/ic990199k | 1.54178 | CuKα | 0.0551 | 0.0411 | null | 0.1039 | 0.096 | null | null | null | 1.057 | 1.086 | 1.086 | null | null | null | has coordinates | Hazel-Ann Hosein; Hema Jaggernauth; Bert D. Alleyne; Lincoln A. Hall; Andrew J. P. White; David J. Williams
First-Row Transition-Metal Complexes of the 1-Methoxycyclobutenedionate(1-) Ion
Inorganic Chemistry
38
(1999)
3716-3720 | 176,467 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/21/4322183.cif $
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2,005,325 | 8.785 | 0.004 | 15.306 | 0.007 | 14.573 | 0.003 | 90 | null | 97 | 0.03 | 90 | null | 1,944.9 | 1.3 | 293 | null | null | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C22 H13 Cl2 N3 O3 - | - C22 H12 Cl2 N3 O4 - | - C88 H48 Cl8 N12 O16 - | 4 | 1 | BM1017 | Qi, F.; Yu, W.-T.; Hong, L.; Lin, X.-Y.; Yu, Z.-P. | The Charge-Transfer Complex 4-(2-Hydroxyethyl)carbazole‒2,3-Dichloro-5,6-dicyano-1,4-benzoquinone (1/1) (HEK‒DDQ) | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2274 | 2277 | 10.1107/S0108270196002375 | 0.71073 | MoKα | null | 0.0614 | null | null | 0.064 | null | null | null | null | 1.588 | 1.588 | null | null | null | has coordinates | Qi, F.; Yu, W.-T.; Hong, L.; Lin, X.-Y.; Yu, Z.-P.
The Charge-Transfer Complex 4-(2-Hydroxyethyl)carbazole‒2,3-Dichloro-5,6-dicyano-1,4-benzoquinone (1/1) (HEK‒DDQ)
Acta Crystallographica Section C
52(9)
(1996)
2274-2277 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/53/2005325.cif $
#-------------------------------------------------------------------... | |||||||||||
2,005,326 | 9.543 | 0.004 | 10.279 | 0.001 | 12.231 | 0.005 | 90 | null | 90 | null | 90 | null | 1,199.8 | 0.7 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | 4-amino-1-(2-deoxy-β-D-ribofuranosyl)-5,6,7-1H- cyclopentapyridine-2-one | - C12 H17 N3 O4 - | - C12 H17 N3 O4 - | - C48 H68 N12 O16 - | 4 | 1 | BM1048 | Neidle, S.; Capaldi, D. C.; Reese, C. B.; Roselt, P. D. | 4-Amino-1-(2-deoxy-β-<small>D</small>-ribofuranosyl)-6,7-dihydro-1<i>H</i>,5<i>H</i>-cyclopentapyrimidine-2-one | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2332 | 2334 | 10.1107/S0108270196002582 | 0.71073 | MoKα | 0.059 | 0.0493 | null | 0.1124 | 0.1103 | null | null | null | 0.969 | 1.059 | 1.059 | null | null | null | has coordinates | Neidle, S.; Capaldi, D. C.; Reese, C. B.; Roselt, P. D.
4-Amino-1-(2-deoxy-β-<small>D</small>-ribofuranosyl)-6,7-dihydro-1<i>H</i>,5<i>H</i>-cyclopentapyrimidine-2-one
Acta Crystallographica Section C
52(9)
(1996)
2332-2334 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/53/2005326.cif $
#-------------------------------------------------------------------... | ||||||||||
2,005,327 | 14.293 | 0.001 | 5.98 | 0.001 | 21.66 | 0.002 | 90 | null | 106.58 | 0.04 | 90 | null | 1,774.4 | 0.5 | 295 | null | null | null | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | - C19 H22 N2 Ni O S - | - C25 H9 N2 Ni O S - | - C100 H36 N8 Ni4 O4 S4 - | 4 | 1 | BM1052 | Tahir, M. N.; Ülkü, D.; Atakol, O.; Kenar, A. | (Cyclohexylamine-<i>N</i>){2-[(2-thiophenyl)iminomethyl]phenolato-<i>O</i>,<i>N</i>,<i>S</i>}nickel(II) | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2178 | 2180 | 10.1107/S0108270196006130 | 0.71073 | MoKα | null | 0.052 | null | null | 0.058 | null | null | null | null | 1.04 | 1.04 | null | null | null | has coordinates | Tahir, M. N.; Ülkü, D.; Atakol, O.; Kenar, A.
(Cyclohexylamine-<i>N</i>){2-[(2-thiophenyl)iminomethyl]phenolato-<i>O</i>,<i>N</i>,<i>S</i>}nickel(II)
Acta Crystallographica Section C
52(9)
(1996)
2178-2180 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/53/2005327.cif $
#-------------------------------------------------------------------... | |||||||||||
2,005,328 | 6.93 | 0.004 | 9.597 | 0.006 | 10.169 | 0.007 | 80.1 | 0.03 | 89.94 | 0.06 | 73.22 | 0.02 | 637 | 0.7 | 296 | null | null | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C12 H17 N O3 - | - C12 H17 N O3 - | - C24 H34 N2 O6 - | 2 | 1 | BM1059 | Hussain, M. S.; Ul-Haque, M. | <i>O</i>-Acetyl-<i>N</i>-(<i>o</i>-hydroxybenzyl)-<i>N</i>-isopropylhydroxylamine | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2343 | 2345 | 10.1107/S0108270196003332 | 0.71073 | MoKα | null | 0.038 | null | null | 0.045 | null | null | null | null | 1.05 | 1.05 | null | null | null | has coordinates | Hussain, M. S.; Ul-Haque, M.
<i>O</i>-Acetyl-<i>N</i>-(<i>o</i>-hydroxybenzyl)-<i>N</i>-isopropylhydroxylamine
Acta Crystallographica Section C
52(9)
(1996)
2343-2345 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/53/2005328.cif $
#-------------------------------------------------------------------... | |||||||||||
2,005,329 | 19.685 | 0.001 | 11.023 | 0.002 | 8.881 | 0.003 | 90 | 0.2 | 98.4 | 0.3 | 90 | 0.3 | 1,906.4 | 1.6 | 294 | null | 294 | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C23 H18 Cl N3 O - | - C23 H18 Cl N3 O - | - C92 H72 Cl4 N12 O4 - | 4 | 1 | BM1067 | Baouid, A.; Hasnaoui, A.; Benharref, A.; Giorgi, M.; Pierrot, M. | 1-(4-Chlorophenyl)-3a-methyl-5-phenyl-3a,4-dihydro-1,2,4-oxadiazolo[4,5-<i>a</i>][1,5]benzodiazepine | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2281 | 2282 | 10.1107/S0108270196004003 | 0.71073 | Mo-Kα | 0.09 | 0.045 | null | null | 0.056 | null | null | null | null | 1.941 | 1.941 | null | null | null | has coordinates,has Fobs | Baouid, A.; Hasnaoui, A.; Benharref, A.; Giorgi, M.; Pierrot, M.
1-(4-Chlorophenyl)-3a-methyl-5-phenyl-3a,4-dihydro-1,2,4-oxadiazolo[4,5-<i>a</i>][1,5]benzodiazepine
Acta Crystallographica Section C
52(9)
(1996)
2281-2282 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/53/2005329.cif $
#-------------------------------------------------------------------... | |||||||||||
2,005,330 | 7.326 | 0.001 | 12.868 | 0.001 | 14.098 | 0.001 | 90 | null | 94.49 | 0.01 | 90 | null | 1,325 | 0.2 | 298 | null | 298 | null | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | N-(2-aminoethyl)piperaziniumtetrachloroindium(III) | - C6 H16 Cl4 In N3 - | - C6 H16 Cl4 In N3 - | - C24 H64 Cl16 In4 N12 - | 4 | 1 | BM1077 | Chippindale, A. M.; Brech, S. J.; Cowley, A. R.; Chernega, A. N. | [<i>N</i>-(2-Amino-κ<i>N</i>-ethyl)piperaziniumyl-<i>N</i>^1^]tetrachloroindium(III) | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2180 | 2183 | 10.1107/S0108270196006002 | 0.71073 | MoKα | null | 0.0211 | null | null | 0.0206 | null | null | null | null | 1.1659 | 1.1659 | null | null | null | has coordinates | Chippindale, A. M.; Brech, S. J.; Cowley, A. R.; Chernega, A. N.
[<i>N</i>-(2-Amino-κ<i>N</i>-ethyl)piperaziniumyl-<i>N</i>^1^]tetrachloroindium(III)
Acta Crystallographica Section C
52(9)
(1996)
2180-2183 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/53/2005330.cif $
#-------------------------------------------------------------------... | ||||||||||
2,005,331 | 11.609 | 0.008 | 5.717 | 0.003 | 15.293 | 0.008 | 90 | null | 92.63 | 0.05 | 90 | null | 1,013.9 | 1 | 240 | 2 | 240 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | [3-(4-Methylphenyl)-5-isoxazolyl]acetonitrile | - C12 H10 N2 O - | - C12 H10 N2 O - | - C48 H40 N8 O4 - | 4 | 1 | BM1078 | Kumar, N.; Mukherjee, S.; Parmar, V. S.; Errington, W. | [3-(4-Methylphenyl)-5-isoxazolyl]acetonitrile | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2294 | 2296 | 10.1107/S010827019600491X | 0.71073 | MoKα | 0.0588 | 0.0501 | null | 0.1532 | 0.1398 | null | null | null | 1.041 | 1.058 | 1.058 | null | null | null | has coordinates | Kumar, N.; Mukherjee, S.; Parmar, V. S.; Errington, W.
[3-(4-Methylphenyl)-5-isoxazolyl]acetonitrile
Acta Crystallographica Section C
52(9)
(1996)
2294-2296 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/53/2005331.cif $
#-------------------------------------------------------------------... | ||||||||||
4,322,182 | 13.009 | 0.003 | 13.626 | 0.003 | 16.031 | 0.003 | 73.06 | 0.03 | 74.12 | 0.03 | 86.48 | 0.03 | 2,614.1 | 1.1 | 293 | 2 | 293 | 2 | null | null | null | null | 8 | P -1 | -P 1 | 2 | - C86 H72 B2 F48 N4 Ni2 O S2 - | - C86 H72 B2 F48 N4 Ni2 O S2 - | - C86 H72 B2 F48 N4 Ni2 O S2 - | 1 | 0.5 | Craig A. Grapperhaus; John A. Bellefeuille; Joseph H. Reibenspies; Marcetta Y. Darensbourg | Synthesis and Dimer Cleavage Reactions of the N2S Thiolate Bridged Dimer [(mmp-dach)2Ni2]Cl2 | Inorganic Chemistry | 1,999 | 38 | 3698 | 3703 | 10.1021/ic990106z | 0.71073 | MoKα | 0.1051 | 0.081 | null | null | 0.2153 | 0.2375 | null | null | null | null | null | 1.075 | null | null | has coordinates,has disorder | Craig A. Grapperhaus; John A. Bellefeuille; Joseph H. Reibenspies; Marcetta Y. Darensbourg
Synthesis and Dimer Cleavage Reactions of the N2S Thiolate Bridged Dimer [(mmp-dach)2Ni2]Cl2
Inorganic Chemistry
38
(1999)
3698-3703 | 179,324 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-23 15:22:11 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179324 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/21/4322182.cif $
#-------------------------------------------------------------------... | |||||||||||||
2,005,332 | 9.686 | 0.003 | 17.512 | 0.004 | 15.47 | 0.005 | 90 | null | 96.35 | 0.02 | 90 | null | 2,607.9 | 1.3 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C15 H30 Mo N4 S7 - | - C15 H30 Mo N4 S7 - | - C60 H120 Mo4 N16 S28 - | 4 | 1 | BM1082 | Coffey, T. A.; Forster, G. D.; Hogarth, G. | Tris(<i>N</i>,<i>N</i>-diethyldithiocarbamato-<i>S</i>,<i>S</i>')(thionitrosyl-<i>N</i>)molybdenum(III), [Mo(η^2^-S~2~CNEt~2~)~3~(NS)] | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2157 | 2159 | 10.1107/S010827019600707X | 0.71073 | MoKα | 0.0623 | 0.041 | null | 0.1033 | 0.0858 | null | null | null | 0.979 | 1.006 | 1.006 | null | null | null | has coordinates | Coffey, T. A.; Forster, G. D.; Hogarth, G.
Tris(<i>N</i>,<i>N</i>-diethyldithiocarbamato-<i>S</i>,<i>S</i>')(thionitrosyl-<i>N</i>)molybdenum(III), [Mo(η^2^-S~2~CNEt~2~)~3~(NS)]
Acta Crystallographica Section C
52(9)
(1996)
2157-2159 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,005,333 | 5.364 | 0.008 | 12.148 | 0.009 | 7.922 | 0.004 | 90 | null | 108.87 | 0.06 | 90 | null | 488.5 | 0.9 | 293 | null | null | null | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | Trilanthanum Trichloride Pyrosilicate | - Cl3 La3 O7 Si2 - | - Cl3 La3 O7 Si2 - | - Cl6 La6 O14 Si4 - | 2 | 1 | BR1087 | Chen, J.-T.; Guo, G.-C.; Huang, J.-S.; Zhang, Q.-E. | La~3~(Si~2~O~7~)Cl~3~ | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2123 | 2125 | 10.1107/S010827019501506X | 0.71073 | MoKα | null | 0.0605 | null | null | 0.0918 | null | null | null | null | 1.5 | 1.5 | null | null | null | has coordinates | Chen, J.-T.; Guo, G.-C.; Huang, J.-S.; Zhang, Q.-E.
La~3~(Si~2~O~7~)Cl~3~
Acta Crystallographica Section C
52(9)
(1996)
2123-2125 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
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2,005,334 | 13.377 | 0.004 | 5.589 | 0.004 | 10.983 | 0.003 | 90 | null | 100.61 | 0.02 | 90 | null | 807.1 | 0.7 | 293 | null | null | null | null | null | null | null | 4 | C 1 2/m 1 | -C 2y | 12 | Tetra Neodymium bis-Pyrosilicate Penta Vanadium Octa Oxygen | - Nd4 O22 Si4 V5 - | - Nd4 O22 Si4 V5 - | - Nd8 O44 Si8 V10 - | 2 | 0.25 | BR1112 | Chen, J.-T.; Guo, G.-C.; Zhuang, H.-H.; Huang, J.-S.; Zhang, Q.-E. | Nd~4~V~5~Si~4~O~22~ | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2125 | 2127 | 10.1107/S0108270195015058 | 0.71073 | MoKα | null | 0.0463 | null | null | 0.0585 | null | null | null | null | 1.17 | 1.17 | null | null | null | has coordinates | Chen, J.-T.; Guo, G.-C.; Zhuang, H.-H.; Huang, J.-S.; Zhang, Q.-E.
Nd~4~V~5~Si~4~O~22~
Acta Crystallographica Section C
52(9)
(1996)
2125-2127 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,005,335 | 13.4121 | 0.0001 | 13.6816 | 0.0001 | 13.8558 | 0.0001 | 90 | null | 90 | null | 90 | null | 2,542.53 | 0.03 | 293 | null | 293 | null | null | null | null | null | 4 | P b c a | -P 2ac 2ab | 61 | - Cd O12 Rb2 Si5 - | - Cd O12 Rb2 Si5 - | - Cd8 O96 Rb16 Si40 - | 8 | 1 | BR1125 | Bell, A. M. T.; Henderson, C. M. B. | Rietveld Refinement of the Orthorhombic <i>Pbca</i> Structures of Rb~2~CdSi~5~O~12~, Cs~2~MnSi~5~O~12~, Cs~2~CoSi~5~O~12~ , and Cs~2~NiSi~5~O~12~ Leucites by Synchrotron X-ray Powder Diffraction | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2132 | 2139 | 10.1107/S0108270196003162 | 1.40285 | synchrotron | null | 0.073 | null | null | 0.165 | null | null | null | null | 0.903 | 0.903 | null | null | null | has coordinates | Bell, A. M. T.; Henderson, C. M. B.
Rietveld Refinement of the Orthorhombic <i>Pbca</i> Structures of Rb~2~CdSi~5~O~12~, Cs~2~MnSi~5~O~12~, Cs~2~CoSi~5~O~12~ , and Cs~2~NiSi~5~O~12~ Leucites by Synchrotron X-ray Powder Diffraction
Acta Crystallographica Section C
52(9)
(1996)
2132-2139 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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2,005,336 | 13.6878 | 0.0003 | 13.7931 | 0.0003 | 13.7575 | 0.0003 | 90 | null | 90 | null | 90 | null | 2,597.38 | 0.1 | 293 | null | 293 | null | null | null | null | null | 4 | P b c a | -P 2ac 2ab | 61 | - Cs2 Mn O12 Si5 - | - Cs2 Mn O12 Si5 - | - Cs16 Mn8 O96 Si40 - | 8 | 1 | BR1125 | Bell, A. M. T.; Henderson, C. M. B. | Rietveld Refinement of the Orthorhombic <i>Pbca</i> Structures of Rb~2~CdSi~5~O~12~, Cs~2~MnSi~5~O~12~, Cs~2~CoSi~5~O~12~ , and Cs~2~NiSi~5~O~12~ Leucites by Synchrotron X-ray Powder Diffraction | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2132 | 2139 | 10.1107/S0108270196003162 | 1.29969 | synchrotron | null | 0.126 | null | null | 0.14 | null | null | null | null | 1.019 | 1.019 | null | null | null | has coordinates | Bell, A. M. T.; Henderson, C. M. B.
Rietveld Refinement of the Orthorhombic <i>Pbca</i> Structures of Rb~2~CdSi~5~O~12~, Cs~2~MnSi~5~O~12~, Cs~2~CoSi~5~O~12~ , and Cs~2~NiSi~5~O~12~ Leucites by Synchrotron X-ray Powder Diffraction
Acta Crystallographica Section C
52(9)
(1996)
2132-2139 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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2,005,337 | 13.6487 | 0.0004 | 13.712 | 0.0004 | 13.6828 | 0.0004 | 90 | null | 90 | null | 90 | null | 2,560.75 | 0.13 | 293 | null | 293 | null | null | null | null | null | 4 | P b c a | -P 2ac 2ab | 61 | - Co Cs2 O12 Si5 - | - Co Cs2 O12 Si5 - | - Co8 Cs16 O96 Si40 - | 8 | 1 | BR1125 | Bell, A. M. T.; Henderson, C. M. B. | Rietveld Refinement of the Orthorhombic <i>Pbca</i> Structures of Rb~2~CdSi~5~O~12~, Cs~2~MnSi~5~O~12~, Cs~2~CoSi~5~O~12~ , and Cs~2~NiSi~5~O~12~ Leucites by Synchrotron X-ray Powder Diffraction | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2132 | 2139 | 10.1107/S0108270196003162 | 1.30138 | synchrotron | null | 0.059 | null | null | 0.128 | null | null | null | null | 0.821 | 0.821 | null | null | null | has coordinates | Bell, A. M. T.; Henderson, C. M. B.
Rietveld Refinement of the Orthorhombic <i>Pbca</i> Structures of Rb~2~CdSi~5~O~12~, Cs~2~MnSi~5~O~12~, Cs~2~CoSi~5~O~12~ , and Cs~2~NiSi~5~O~12~ Leucites by Synchrotron X-ray Powder Diffraction
Acta Crystallographica Section C
52(9)
(1996)
2132-2139 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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4,322,181 | 16.013 | 0.002 | 10.135 | 0.002 | 9.037 | 0.002 | 90 | null | 122.61 | 0.01 | 90 | 0.001 | 1,235.4 | 0.4 | 195 | 2 | 195 | 2 | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | 15 | Bis(terbutylthiolato)tellurium | - C8 H18 S2 Te - | - C8 H18 S2 Te - | - C32 H72 S8 Te4 - | 4 | 0.5 | Holger Fleischer; Sandra Stauf; Dieter Schollmeyer | Experimental Investigations and Ab Initio Studies of Tellurium(II) Dithiolates, Te(SR)2 | Inorganic Chemistry | 1,999 | 38 | 3725 | 3729 | 10.1021/ic990104e | 0.71069 | MoKα | 0.0192 | 0.016 | null | null | 0.0371 | 0.038 | null | null | null | null | null | 1.036 | null | null | has coordinates | Holger Fleischer; Sandra Stauf; Dieter Schollmeyer
Experimental Investigations and Ab Initio Studies of Tellurium(II) Dithiolates, Te(SR)2
Inorganic Chemistry
38
(1999)
3725-3729 | 301,838 | 2025-08-20 | 22:17:36 | #------------------------------------------------------------------------------
#$Date: 2025-08-21 01:01:10 +0300 (Thu, 21 Aug 2025) $
#$Revision: 301838 $
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2,005,338 | 13.6147 | 0.0003 | 13.6568 | 0.0005 | 13.6583 | 0.0005 | 90 | null | 90 | null | 90 | null | 2,539.53 | 0.14 | 293 | null | 293 | null | null | null | null | null | 4 | P b c a | -P 2ac 2ab | 61 | - Cs2 Ni O12 Si5 - | - Cs2 Ni O12 Si5 - | - Cs16 Ni8 O96 Si40 - | 8 | 1 | BR1125 | Bell, A. M. T.; Henderson, C. M. B. | Rietveld Refinement of the Orthorhombic <i>Pbca</i> Structures of Rb~2~CdSi~5~O~12~, Cs~2~MnSi~5~O~12~, Cs~2~CoSi~5~O~12~ , and Cs~2~NiSi~5~O~12~ Leucites by Synchrotron X-ray Powder Diffraction | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2132 | 2139 | 10.1107/S0108270196003162 | 0.9982 | synchrotron | null | 0.057 | null | null | 0.091 | null | null | null | null | null | null | null | null | null | has coordinates | Bell, A. M. T.; Henderson, C. M. B.
Rietveld Refinement of the Orthorhombic <i>Pbca</i> Structures of Rb~2~CdSi~5~O~12~, Cs~2~MnSi~5~O~12~, Cs~2~CoSi~5~O~12~ , and Cs~2~NiSi~5~O~12~ Leucites by Synchrotron X-ray Powder Diffraction
Acta Crystallographica Section C
52(9)
(1996)
2132-2139 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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2,005,339 | 23.608 | 0.008 | 6.825 | 0.009 | 5.4908 | 0.0013 | 90 | null | 90 | null | 90 | null | 884.7 | 1.2 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P n n m | -P 2 2n | 58 | Caesium Chloride - di caesium - bis(tellurium di vanadium heptaoxide) | - Cl Cs3 O14 Te2 V4 - | - Cl Cs3 O14 Te2 V4 - | - Cl2 Cs6 O28 Te4 V8 - | 2 | 0.25 | BR1139 | Marrot, J.; Savariault, J.-M. | Tricaesium Ditellurium Tetravanadium Chloride Tetradecaoxide | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2129 | 2132 | 10.1107/S0108270196003198 | 0.71069 | MoKα | 0.0422 | 0.0407 | null | 0.1011 | 0.1001 | null | null | null | 1.196 | 1.199 | 1.199 | null | null | null | has coordinates | Marrot, J.; Savariault, J.-M.
Tricaesium Ditellurium Tetravanadium Chloride Tetradecaoxide
Acta Crystallographica Section C
52(9)
(1996)
2129-2132 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
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2,005,340 | 5.33 | 0.02 | 9.6 | 0.05 | 7.18 | 0.05 | 90 | null | 105.16 | 0.01 | 90 | null | 355 | 3 | 296 | null | null | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | Deuterated copper flurosilicate tetrahydrate | - Cu D8 F6 O4 Si - | - Cu D8 F6 O4 Si - | - Cu2 D16 F12 O8 Si2 - | 2 | 0.5 | BR1141 | Chevrier, G.; Goukassov, A. | The Hydrogen-Bonding System in Deuterated Copper Fluorosilicate Tetrahydrate: a Neutron Diffraction Study | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2121 | 2123 | 10.1107/S0108270196003927 | neutron | 1.52 | neutron | null | 0.0647 | null | null | 0.0465 | null | null | null | null | 5.713 | 5.713 | null | null | null | has coordinates | Chevrier, G.; Goukassov, A.
The Hydrogen-Bonding System in Deuterated Copper Fluorosilicate Tetrahydrate: a Neutron Diffraction Study
Acta Crystallographica Section C
52(9)
(1996)
2121-2123 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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2,005,341 | 10.128 | 0.002 | 3.5707 | 0.0006 | 9.868 | 0.002 | 90 | null | 90 | null | 90 | null | 356.87 | 0.12 | 293 | 2 | 293 | 2 | null | null | null | null | 2 | P n m a | -P 2ac 2n | 62 | hafniumphoshide | Trihafniumdiphosphide | - Hf3 P2 - | - Hf3 P2 - | - Hf12 P8 - | 4 | 0.5 | BR1144 | Kleinke, H.; Franzen, H. F. | The Binary Hafnium Phosphide Hf~3~P~2~ | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2127 | 2129 | 10.1107/S0108270196004969 | 0.71069 | MoKα | 0.0428 | 0.0293 | null | 0.0574 | 0.0548 | null | null | null | 1.085 | 1.16 | 1.16 | null | null | null | has coordinates | Kleinke, H.; Franzen, H. F.
The Binary Hafnium Phosphide Hf~3~P~2~
Acta Crystallographica Section C
52(9)
(1996)
2127-2129 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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4,322,180 | 8.636 | 0.002 | 8.677 | 0.001 | 8.915 | 0.001 | 85.52 | 0.01 | 63.67 | 0.01 | 61.3 | 0.01 | 517.39 | 0.17 | 193 | 2 | 193 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | telluriumbis(isopropanethiolate) | - C6 H14 S2 Te - | - C6 H14 S2 Te - | - C12 H28 S4 Te2 - | 2 | 1 | Holger Fleischer; Sandra Stauf; Dieter Schollmeyer | Experimental Investigations and Ab Initio Studies of Tellurium(II) Dithiolates, Te(SR)2 | Inorganic Chemistry | 1,999 | 38 | 3725 | 3729 | 10.1021/ic990104e | 0.71069 | MoKα | 0.0279 | 0.0276 | null | null | 0.0747 | 0.0749 | null | null | null | null | null | 1.173 | null | null | has coordinates | Holger Fleischer; Sandra Stauf; Dieter Schollmeyer
Experimental Investigations and Ab Initio Studies of Tellurium(II) Dithiolates, Te(SR)2
Inorganic Chemistry
38
(1999)
3725-3729 | 301,838 | 2025-08-20 | 22:17:36 | #------------------------------------------------------------------------------
#$Date: 2025-08-21 01:01:10 +0300 (Thu, 21 Aug 2025) $
#$Revision: 301838 $
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2,005,342 | 5.7712 | 0.0003 | 10.513 | 0.001 | 21.633 | 0.002 | 94.09 | 0.01 | 90.114 | 0.006 | 105.871 | 0.006 | 1,258.97 | 0.18 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | Bis[S-Methyl-β-N-(4-dimethylaminophenyl)methylenedithiocarbazido]- nickel(II). | - C22 H28 N6 Ni S4 - | - C22 H28 N6 Ni S4 - | - C44 H56 N12 Ni2 S8 - | 2 | 1 | CF1065 | Tian, Y.-P.; Duan, C.-Y.; Lu, Z.-L.; You, X.-Z.; Fun, H.-K.; Sivakumar, K. | Bis[methyl <i>N</i>^{β^}-(4-dimethylaminophenylmethylene)dithiocarbazato]nickel(II) | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2150 | 2153 | 10.1107/S010827019600385X | 0.71073 | MoKα | 0.0546 | 0.0388 | null | 0.1002 | 0.0944 | null | null | null | 0.938 | 1.032 | 1.032 | null | null | null | has coordinates | Tian, Y.-P.; Duan, C.-Y.; Lu, Z.-L.; You, X.-Z.; Fun, H.-K.; Sivakumar, K.
Bis[methyl <i>N</i>^{β^}-(4-dimethylaminophenylmethylene)dithiocarbazato]nickel(II)
Acta Crystallographica Section C
52(9)
(1996)
2150-2153 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
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2,005,343 | 21.2695 | 0.001 | 10.376 | 0.002 | 12.054 | 0.002 | 90 | null | 117.297 | 0.01 | 90 | null | 2,364 | 0.6 | 180 | null | 180 | null | null | null | null | null | 6 | C 1 2/c 1 | -C 2yc | 15 | bis(1-(2-pyridyl)-2-(2-thienyl)ethyne-N)-bis(nitrato-O,O')-cobalt(II) | - C22 H14 Co N4 O6 S2 - | - C22 H14 Co N4 O6 S2 - | - C88 H56 Co4 N16 O24 S8 - | 4 | 0.5 | CF1076 | Kooijman, H.; Spek, A. L.; Neenan, T. X.; Driessen, W. L. | Bis(nitrato-<i>O</i>,<i>O</i>')bis{2-[2-(2-thienyl)ethynyl]pyridine-<i>N</i>}cobalt(II) | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2191 | 2193 | 10.1107/S0108270196005008 | 0.71073 | MoKα | null | 0.0697 | null | 0.1725 | 0.1725 | null | null | null | 0.977 | 0.97 | 0.97 | null | null | null | has coordinates | Kooijman, H.; Spek, A. L.; Neenan, T. X.; Driessen, W. L.
Bis(nitrato-<i>O</i>,<i>O</i>')bis{2-[2-(2-thienyl)ethynyl]pyridine-<i>N</i>}cobalt(II)
Acta Crystallographica Section C
52(9)
(1996)
2191-2193 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
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2,005,344 | 5.618 | 0.004 | 7.995 | 0.004 | 13.428 | 0.006 | 77.85 | 0.04 | 85.55 | 0.06 | 80.46 | 0.04 | 580.9 | 0.6 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P -1 | -P 1 | 2 | rel-(1S, 4R, 7R, 9S)-tetracyclo[5.4.1.0^4,12^.0^9,12^]dodec-10- enylacetic acid | - C14 H18 O2 - | - C14 H18 O2 - | - C28 H36 O4 - | 2 | 1 | CF1078 | Wang, J.; Thommen, M.; Keese, R. | A Substituted <i>cis</i>,<i>trans</i>,<i>cis</i>,<i>cis</i>-[4.5.5.5]Fenestrene | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2311 | 2313 | 10.1107/S0108270196003861 | 0.71073 | MoKα | 0.0639 | 0.0419 | null | 0.1181 | 0.1029 | null | null | null | 1.029 | 1.092 | 1.092 | null | null | null | has coordinates | Wang, J.; Thommen, M.; Keese, R.
A Substituted <i>cis</i>,<i>trans</i>,<i>cis</i>,<i>cis</i>-[4.5.5.5]Fenestrene
Acta Crystallographica Section C
52(9)
(1996)
2311-2313 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,005,345 | 13.44 | 0.009 | 7.205 | 0.009 | 22.388 | 0.009 | 90 | null | 92.36 | 0.01 | 90 | null | 2,166 | 3 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | Bis(η^5-trimethylsilylcyclopentadienyl)-diiodo-titanium(IV) | - C16 H26 I2 Si2 Ti - | - C16 H26 I2 Si2 Ti - | - C64 H104 I8 Si8 Ti4 - | 4 | 0.5 | CF1088 | Drew, M. G. B.; Delgado, E.; Hernandez, E.; Baker, P. K.; Mansilla, N. | Diiodobis(η^5^-trimethylsilylcyclopentadienyl)titanium(IV) | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2168 | 2170 | 10.1107/S0108270196006221 | 0.7107 | MoKα | 0.1449 | 0.0653 | null | 0.2789 | 0.1948 | null | null | null | 0.609 | 0.563 | 0.563 | null | null | null | has coordinates | Drew, M. G. B.; Delgado, E.; Hernandez, E.; Baker, P. K.; Mansilla, N.
Diiodobis(η^5^-trimethylsilylcyclopentadienyl)titanium(IV)
Acta Crystallographica Section C
52(9)
(1996)
2168-2170 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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2,005,346 | 13.272 | 0.002 | 9.2251 | 0.001 | 17.2566 | 0.001 | 90 | 0.06 | 90.39 | 0.01 | 90 | 0.06 | 2,112.8 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | 2,10-dichloro-6-(2,4 dimethyl phenoxy)-dibenzo [d,g][1,3,6,2] dioxathiaphosphocin-6-oxide. | - C20 H15 Cl2 O3 P S2 - | - C20 H15 Cl2 O3 P S2 - | - C80 H60 Cl8 O12 P4 S8 - | 4 | 1 | DE1030 | Krishnaiah, M.; Kumar, N. J.; Narasaiah, T. V.; Reddy, B. S.; Reddy, C. D. | 2,10-Dichloro-6-(2,4-dimethylphenoxy)dibenzo[<i>d</i>,<i>g</i>][1,3,6,2]dioxathiaphosphocine 6-Sulfide | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2298 | 2301 | 10.1107/S0108270196004908 | 0.71069 | MoKα | 0.0387 | 0.0359 | null | 0.085 | 0.083 | null | null | null | 1.095 | 1.097 | 1.097 | null | null | null | has coordinates | Krishnaiah, M.; Kumar, N. J.; Narasaiah, T. V.; Reddy, B. S.; Reddy, C. D.
2,10-Dichloro-6-(2,4-dimethylphenoxy)dibenzo[<i>d</i>,<i>g</i>][1,3,6,2]dioxathiaphosphocine 6-Sulfide
Acta Crystallographica Section C
52(9)
(1996)
2298-2301 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
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2,005,347 | 8.407 | 0.002 | 9.181 | 0.002 | 10.95 | 0.003 | 69.03 | 0.01 | 68.57 | 0.02 | 77.71 | 0.01 | 731.3 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | N,N,N',N'-Tetramethylethylenediammonium Dihydrogendiphosphate Dihydrate | - C6 H24 N2 O9 P2 - | - C6 H24 N2 O9 P2 - | - C12 H48 N4 O18 P4 - | 2 | 1 | DU1151 | Gharbi, A.; Charfi, M.; Jouini, A. | <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetramethylethylenediammonium Dihydrogendiphosphate Dihydrate | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2246 | 2248 | 10.1107/S0108270196003356 | 0.71069 | MoKα | 0.033 | 0.0277 | null | 0.0786 | 0.0754 | null | null | null | 1.051 | 1.074 | 1.074 | null | null | null | has coordinates | Gharbi, A.; Charfi, M.; Jouini, A.
<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetramethylethylenediammonium Dihydrogendiphosphate Dihydrate
Acta Crystallographica Section C
52(9)
(1996)
2246-2248 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
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2,005,348 | 8.243 | 0.002 | 9.079 | 0.001 | 12.039 | 0.001 | 92.93 | 0.01 | 93.31 | 0.01 | 104.466 | 0.008 | 869 | 0.2 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | Tris(1,4-butanediyldiammonium) bis(cyclotriphosphate) tetrahydrate ? | - C12 H50 N6 O22 P6 - | - C12 H50 N6 O22 P6 - | - C12 H50 N6 O22 P6 - | 1 | 0.5 | DU1152 | Thabet, H.; Jouini, A. | Tris(1,4-butanediyldiammonium) Bis(cyclotriphosphate) Tetrahydrate | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2248 | 2250 | 10.1107/S0108270196002922 | 0.71069 | MoKα | 0.0297 | 0.0263 | null | 0.0766 | 0.0745 | null | null | null | 1.076 | 1.1 | 1.1 | null | null | null | has coordinates | Thabet, H.; Jouini, A.
Tris(1,4-butanediyldiammonium) Bis(cyclotriphosphate) Tetrahydrate
Acta Crystallographica Section C
52(9)
(1996)
2248-2250 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
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2,005,349 | 11.085 | 0.003 | 11.678 | 0.004 | 8.995 | 0.004 | 112.98 | 0.03 | 87.85 | 0.03 | 104.9 | 0.02 | 1,033.4 | 0.7 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | 1,6-Diammoniumhexane cyclohexaphosphate hexahydrate | - C18 H66 N6 O24 P6 - | - C18 H66 N6 O24 P6 - | - C18 H66 N6 O24 P6 - | 1 | 0.5 | DU1153 | Charfi, M.; Jouini, A. | 1,6-Hexanediammonium <i>cyclo</i>-Hexaphosphate Hexahydrate | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2250 | 2253 | 10.1107/S0108270196003344 | 0.71069 | MoKα | 0.0432 | 0.0282 | null | 0.0954 | 0.0709 | null | null | null | 0.955 | 0.778 | 0.778 | null | null | null | has coordinates | Charfi, M.; Jouini, A.
1,6-Hexanediammonium <i>cyclo</i>-Hexaphosphate Hexahydrate
Acta Crystallographica Section C
52(9)
(1996)
2250-2253 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
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4,322,179 | 15.598 | 0.003 | 10.44 | 0.002 | 7.533 | 0.003 | 90 | null | 90 | null | 90 | null | 1,226.7 | 0.6 | 198 | 2 | 194 | 2 | null | null | null | null | 4 | P b c n | -P 2n 2ab | 60 | Bis(phenylthiolato)tellurium | - C12 H10 S2 Te - | - C12 H10 S2 Te - | - C48 H40 S8 Te4 - | 4 | 0.5 | Holger Fleischer; Sandra Stauf; Dieter Schollmeyer | Experimental Investigations and Ab Initio Studies of Tellurium(II) Dithiolates, Te(SR)2 | Inorganic Chemistry | 1,999 | 38 | 3725 | 3729 | 10.1021/ic990104e | 0.71069 | MoKα | 0.1154 | 0.044 | null | null | 0.0761 | 0.0946 | null | null | null | null | null | 1.026 | null | null | has coordinates | Holger Fleischer; Sandra Stauf; Dieter Schollmeyer
Experimental Investigations and Ab Initio Studies of Tellurium(II) Dithiolates, Te(SR)2
Inorganic Chemistry
38
(1999)
3725-3729 | 301,838 | 2025-08-20 | 22:17:36 | #------------------------------------------------------------------------------
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2,005,350 | 29.282 | 0.006 | 12.478 | 0.002 | 14.476 | 0.003 | 90 | null | 107.43 | 0.03 | 90 | null | 5,046.4 | 1.9 | 198 | 2 | 198 | 2 | null | null | null | null | 6 | C 1 2/c 1 | -C 2yc | 15 | catena-Poly[{di-μ-nitrato-1:2κ^4^O-bis[(triphenylphosphine-P)copper(I)]}- μ-4,4'-bipyridyl-μ] Tetrahydrofuran Solvate | - C27 H27 Cu N2 O4 P - | - C27 H27 Cu N2 O4 P - | - C216 H216 Cu8 N16 O32 P8 - | 8 | 1 | FG1111 | Prest, P.-J.; Moore, J. S. | <i>catena</i>-Poly[{di-μ-nitrato-1:2κ^4^<i>O</i>-bis[(triphenylphosphine-<i>P</i>)copper(I)]}-μ-4,4'-bipyridyl-<i>N</i>:<i>N</i>'] Tetrahydrofuran Solvate | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2176 | 2178 | 10.1107/S0108270196006087 | 0.71073 | MoKα | 0.0662 | 0.0379 | null | 0.1042 | 0.0907 | null | null | null | 1.069 | 1.073 | 1.073 | null | null | null | has coordinates,has disorder | Prest, P.-J.; Moore, J. S.
<i>catena</i>-Poly[{di-μ-nitrato-1:2κ^4^<i>O</i>-bis[(triphenylphosphine-<i>P</i>)copper(I)]}-μ-4,4'-bipyridyl-<i>N</i>:<i>N</i>'] Tetrahydrofuran Solvate
Acta Crystallographica Section C
52(9)
(1996)
2176-2178 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,005,351 | 13.314 | 0.008 | 9.983 | 0.005 | 13.45 | 0.007 | 90 | null | 117.63 | 0.02 | 90 | null | 1,583.8 | 1.5 | 158 | 2 | 158 | 2 | null | null | null | null | 8 | P 1 21 1 | P 2yb | 4 | 2[1-(R)-(N,N-dimethylamino)-ethyl],2'[1-(R)(N,N-dimethylammonium)-ethyl] -1,1'(S,S)biferrocene trichloro(dimethylsulfoxide)platinate(II). ? | - C30 H43 Cl3 Fe2 N2 O Pt S - | - C30 H43 Cl3 Fe2 N2 O Pt S - | - C60 H86 Cl6 Fe4 N4 O2 Pt2 S2 - | 2 | 1 | FG1112 | Robinson, B. H.; Simpson, J.; Wilson, D. J. | 1-(<i>R</i>)-{2-[1-(<i>R</i>)-(<i>N</i>,<i>N</i>-Dimethylamino)ethyl]-1,1'-(<i>S</i>,<i>S</i>)-biferrocen-2'-yl}ethyl-<i>N</i>,<i>N</i>-dimethylammonium Trichloro(dimethyl sulfoxide-<i>S</i>)platinate(II) | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2196 | 2198 | 10.1107/S0108270196004118 | 0.71073 | MoKα | 0.0621 | 0.0489 | null | 0.1097 | 0.106 | null | null | null | 0.941 | 1.024 | 1.024 | null | null | null | has coordinates,has Fobs | Robinson, B. H.; Simpson, J.; Wilson, D. J.
1-(<i>R</i>)-{2-[1-(<i>R</i>)-(<i>N</i>,<i>N</i>-Dimethylamino)ethyl]-1,1'-(<i>S</i>,<i>S</i>)-biferrocen-2'-yl}ethyl-<i>N</i>,<i>N</i>-dimethylammonium Trichloro(dimethyl sulfoxide-<i>S</i>)platinate(II)
Acta Crystallographica Section C
52(9)
(1996)
2196-2198 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,005,352 | 9.9019 | 0.0014 | 12.2972 | 0.0015 | 8.9716 | 0.0012 | 108.28 | 0.02 | 110.66 | 0.02 | 86.16 | 0.02 | 969.4 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 1 | P 1 | 1 | [1,1,1,5,5,5-hexafluoro-2,4-bis(trifluoromethyl)3-oxa- 2,4-diolatopentane][N,N,N,N-tetramethylethylenediamine]copper(II) | - C12 H16 Cu F12 N2 O3 - | - C12 H16 Cu F12 N2 O3 - | - C24 H32 Cu2 F24 N4 O6 - | 2 | 2 | FG1118 | Hynes, R. C.; Willis, C. J.; Payne, N. C. | A Condensed Dialkoxide Complex of Copper(II), [(CH~3~)~2~NCH~2~CH~2~N(CH~3~)~2~]Cu[{OC(CF~3~)~2~}~2~O] | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2173 | 2176 | 10.1107/S0108270196005811 | 0.71073 | MoKα | 0.0552 | 0.0401 | null | 0.1022 | 0.0936 | null | null | null | 1.035 | 1.03 | 1.03 | null | null | null | has coordinates | Hynes, R. C.; Willis, C. J.; Payne, N. C.
A Condensed Dialkoxide Complex of Copper(II), [(CH~3~)~2~NCH~2~CH~2~N(CH~3~)~2~]Cu[{OC(CF~3~)~2~}~2~O]
Acta Crystallographica Section C
52(9)
(1996)
2173-2176 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
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2,005,353 | 7.275 | 0.001 | 9.002 | 0.002 | 19.503 | 0.004 | 90 | null | 100.61 | 0.01 | 90 | null | 1,255.4 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | ALENDRONATE | Monosodium 4-amino-1-hydroxy-1,1'-bisphosphonate, trihydrate (Alendronate) | - C4 H18 N Na O10 P2 - | - C4 H18 N Na O10 P2 - | - C16 H72 N4 Na4 O40 P8 - | 4 | 1 | FG1158 | Vega, D.; Baggio, R.; Garland, M. T. | Monosodium 4-Amino-1-hydroxy-1,1-butanediyldiphosphonate Trihydrate (Alendronate) | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2198 | 2201 | 10.1107/S0108270196006105 | 0.71073 | MoKα | 0.0316 | 0.0284 | null | 0.0828 | 0.0744 | null | null | null | 1.114 | 1.134 | 1.134 | null | null | null | has coordinates | Vega, D.; Baggio, R.; Garland, M. T.
Monosodium 4-Amino-1-hydroxy-1,1-butanediyldiphosphonate Trihydrate (Alendronate)
Acta Crystallographica Section C
52(9)
(1996)
2198-2201 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
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2,005,354 | 20.154 | 0.005 | 3.843 | 0.001 | 11.787 | 0.003 | 90 | null | 90 | null | 90 | null | 912.9 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P c a 21 | P 2c -2ac | 29 | 2-Carboxy-4,5-benzotropone | 2-Carboxy-4,5-benzocycloheptatrienone | - C12 H8 O3 - | - C12 H8 O3 - | - C48 H32 O12 - | 4 | 1 | FG1171 | Thompson, H. W.; Lalancette, R. A.; Coté, M. L. | 2-Carboxy- and 2,7-Dicarboxy-4,5-benzotropone: Hydrogen-Bonding Patterns of a β-Keto Acid and a Related β-Keto 1,5-Diacid | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2372 | 2376 | 10.1107/S0108270196004933 | 0.71073 | MoKα | 0.0647 | 0.0531 | null | 0.1229 | 0.1185 | null | null | null | 0.985 | 1.096 | 1.096 | null | null | null | has coordinates | Thompson, H. W.; Lalancette, R. A.; Coté, M. L.
2-Carboxy- and 2,7-Dicarboxy-4,5-benzotropone: Hydrogen-Bonding Patterns of a β-Keto Acid and a Related β-Keto 1,5-Diacid
Acta Crystallographica Section C
52(9)
(1996)
2372-2376 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
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2,005,355 | 7.191 | 0.007 | 9.912 | 0.005 | 14.43 | 0.009 | 90 | null | 95.53 | 0.05 | 90 | null | 1,023.7 | 1.3 | 296 | 1 | 296 | 1 | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | 2,7-Dicarboxy-4,5-benzotropone | 2,7-Dicarboxy-4,5-benzocycloheptatrienone | - C13 H8 O5 - | - C13 H8 O5 - | - C52 H32 O20 - | 4 | 1 | FG1171 | Thompson, H. W.; Lalancette, R. A.; Coté, M. L. | 2-Carboxy- and 2,7-Dicarboxy-4,5-benzotropone: Hydrogen-Bonding Patterns of a β-Keto Acid and a Related β-Keto 1,5-Diacid | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2372 | 2376 | 10.1107/S0108270196004933 | 0.71073 | MoKα | 0.0739 | 0.0544 | null | 0.134 | 0.1252 | null | null | null | 0.939 | 1.103 | 1.103 | null | null | null | has coordinates | Thompson, H. W.; Lalancette, R. A.; Coté, M. L.
2-Carboxy- and 2,7-Dicarboxy-4,5-benzotropone: Hydrogen-Bonding Patterns of a β-Keto Acid and a Related β-Keto 1,5-Diacid
Acta Crystallographica Section C
52(9)
(1996)
2372-2376 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
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4,322,178 | 11.187 | 0.001 | 12.172 | 0.003 | 11.661 | 0.001 | 90 | null | 114.96 | 0.01 | 90 | null | 1,439.6 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21 1 | P 2yb | 4 | aquabis(L-prolinate)copper(II) diaquabis(L-prolinate)copper(II) monohydrate | - C20 H42 Cu2 N4 O13 - | - C20 Cu2 N4 O13 - | - C40 Cu4 N8 O26 - | 2 | 1 | R. P. Sartoris; L. Ortigoza; N. M. C. Casado; Rafael Calvo; E. E. Castellano; O. E. Piro | Structure, Single Crystal EPR Spectra, and Exchange Interactions in [Cu(l-proline)2]2.5H2O and Cu(d,l-proline)2.2H2O | Inorganic Chemistry | 1,999 | 38 | 3598 | 3604 | 10.1021/ic9900758 | 0.71073 | MoKα | null | 0.038 | null | null | 0.04 | null | null | null | null | 1.23 | 1.23 | null | null | null | has coordinates | R. P. Sartoris; L. Ortigoza; N. M. C. Casado; Rafael Calvo; E. E. Castellano; O. E. Piro
Structure, Single Crystal EPR Spectra, and Exchange Interactions in [Cu(l-proline)2]2.5H2O and Cu(d,l-proline)2.2H2O
Inorganic Chemistry
38
(1999)
3598-3604 | 179,324 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,005,356 | 9.9062 | 0.001 | 9.838 | 0.001 | 24.061 | 0.003 | 90 | null | 90 | null | 90 | null | 2,344.9 | 0.4 | 173 | 2 | 173 | 2 | null | null | null | null | 6 | P b c a | -P 2ac 2ab | 61 | Cyclophosphamide | N,N-Bis(2-chloroethyl)-tetrahydro-2H-1,3,2-oxazaphosphorin-2-amine-2-oxide | - C7 H15 Cl2 N2 O2 P - | - C7 H15 Cl2 N2 O2 P - | - C56 H120 Cl16 N16 O16 P8 - | 8 | 1 | FG1178 | Jones, P. G.; Thönnessen, H.; Fischer, A.; Neda, I.; Schmutzler, R.; Engel, J.; Kutscher, B.; Niemeyer, U. | The Anhydrous Racemate of the Carcinostatic Agent Cyclophosphamide and the Bicyclic Degradation Product 1-(2-Chloroethyl)tetrahydro-1<i>H</i>,5<i>H</i>-1,3,2-diazaphospholo[2,1-<i>b</i>][1,3,2]oxazaphosphorine 9-Oxide | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2359 | 2363 | 10.1107/S0108270196004866 | 0.71073 | MoKα | 0.0513 | 0.0351 | null | 0.0901 | 0.0839 | null | null | null | 0.971 | 1.069 | 1.069 | null | null | null | has coordinates | Jones, P. G.; Thönnessen, H.; Fischer, A.; Neda, I.; Schmutzler, R.; Engel, J.; Kutscher, B.; Niemeyer, U.
The Anhydrous Racemate of the Carcinostatic Agent Cyclophosphamide and the Bicyclic Degradation Product 1-(2-Chloroethyl)tetrahydro-1<i>H</i>,5<i>H</i>-1,3,2-diazaphospholo[2,1-<i>b</i>][1,3,2]oxazaphosphorine 9-O... | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
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2,005,357 | 10.58 | 0.002 | 10.021 | 0.002 | 10.779 | 0.002 | 90 | null | 118.95 | 0.02 | 90 | null | 1,000 | 0.4 | 143 | 2 | 143 | 2 | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | 1-(2-chloroethyl)tetrahydro-1H,5H- [1.3.2]diazaphospholo[2.1-b][1.3.2]oxazaphosphorine 9-oxide | - C7 H14 Cl N2 O2 P - | - C7 H14 Cl N2 O2 P - | - C28 H56 Cl4 N8 O8 P4 - | 4 | 1 | FG1178 | Jones, P. G.; Thönnessen, H.; Fischer, A.; Neda, I.; Schmutzler, R.; Engel, J.; Kutscher, B.; Niemeyer, U. | The Anhydrous Racemate of the Carcinostatic Agent Cyclophosphamide and the Bicyclic Degradation Product 1-(2-Chloroethyl)tetrahydro-1<i>H</i>,5<i>H</i>-1,3,2-diazaphospholo[2,1-<i>b</i>][1,3,2]oxazaphosphorine 9-Oxide | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2359 | 2363 | 10.1107/S0108270196004866 | 0.71073 | MoKα | 0.0293 | 0.0278 | null | 0.0753 | 0.0732 | null | null | null | 1.077 | 1.081 | 1.081 | null | null | null | has coordinates | Jones, P. G.; Thönnessen, H.; Fischer, A.; Neda, I.; Schmutzler, R.; Engel, J.; Kutscher, B.; Niemeyer, U.
The Anhydrous Racemate of the Carcinostatic Agent Cyclophosphamide and the Bicyclic Degradation Product 1-(2-Chloroethyl)tetrahydro-1<i>H</i>,5<i>H</i>-1,3,2-diazaphospholo[2,1-<i>b</i>][1,3,2]oxazaphosphorine 9-O... | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
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2,005,358 | 8.956 | 0.002 | 10.322 | 0.002 | 5.905 | 0.002 | 101.04 | 0.02 | 95.46 | 0.02 | 68.42 | 0.02 | 498 | 0.2 | 296 | null | 296 | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | Acetone 4,4-Dimethyl-2-pyrazoline-5-one-3ylhydrazone | - C8 H14 N4 O - | - C8 H14 N4 O - | - C16 H28 N8 O2 - | 2 | 1 | FG1180 | Meyers, C. Y.; Lutfi, H. G.; Kolb, V. M.; Hou, Y.; Robinson, P. D. | Acetone 4,4-Dimethyl-5-oxo-2-pyrazolin-3-ylhydrazone | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2367 | 2370 | 10.1107/S0108270196004428 | 0.71069 | MoKα | null | 0.045 | null | null | 0.052 | null | null | null | null | 1.93 | 1.93 | null | null | null | has coordinates | Meyers, C. Y.; Lutfi, H. G.; Kolb, V. M.; Hou, Y.; Robinson, P. D.
Acetone 4,4-Dimethyl-5-oxo-2-pyrazolin-3-ylhydrazone
Acta Crystallographica Section C
52(9)
(1996)
2367-2370 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,005,359 | 12.298 | 0.001 | 15.685 | 0.002 | 27.851 | 0.004 | 90 | null | 100.51 | 0.01 | 90 | null | 5,282.2 | 1.1 | 150 | 2 | 150 | 2 | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | Chlorobis[1,2-bis-(diphenylphosphino)ethane]osmium(II) Hexafluorophosphate Dichoromethane Solvate | - C53.5 H51 Cl4 F6 Os P5 - | - C53.5 H51 Cl4 F6 Os P5 - | - C214 H204 Cl16 F24 Os4 P20 - | 4 | 1 | FG1187 | Lough, A. J.; Morris, R. H.; Schlaf, M. | Bis[1,2-bis(diphenylphosphino)ethane-<i>P</i>,<i>P</i>']chloroosmium(II) Hexafluorophosphate Dichloromethane Solvate | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2193 | 2196 | 10.1107/S0108270196006208 | 0.71073 | MoKα | 0.0577 | 0.034 | null | 0.0797 | 0.0697 | null | null | null | 1.042 | 1.054 | 1.054 | null | null | null | has coordinates,has disorder | Lough, A. J.; Morris, R. H.; Schlaf, M.
Bis[1,2-bis(diphenylphosphino)ethane-<i>P</i>,<i>P</i>']chloroosmium(II) Hexafluorophosphate Dichloromethane Solvate
Acta Crystallographica Section C
52(9)
(1996)
2193-2196 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
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2,005,360 | 14.153 | 0.006 | 14.054 | 0.004 | 17.959 | 0.004 | 90 | null | 102.9 | 0.02 | 90 | null | 3,482 | 2 | 296 | null | 296 | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | Racemic 1,1'-o-Xylylene-bis[3,5-dimethyl-hexahydro- s-triazine-2,4(1H,3H)-dione-6-spiro-9''-fluorene] | - C42 H36 N6 O4 - | - C42 H36 N6 O4 - | - C168 H144 N24 O16 - | 4 | 1 | FG1188 | Robinson, P. D.; Gong, Y.; Bausch, M. J. | Racemic α,α'-<i>o</i>-Xylylene-1,1'-bis[(3,5-dimethyl-5,6-dihydro-1,3,5-triazine-6-spiro-9'-fluorene)-2,4(1<i>H</i>,3<i>H</i>)-dione] | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2337 | 2340 | 10.1107/S010827019600621X | 0.71069 | MoKα | null | 0.063 | null | null | 0.056 | null | null | null | null | 1.57 | 1.57 | null | null | null | has coordinates | Robinson, P. D.; Gong, Y.; Bausch, M. J.
Racemic α,α'-<i>o</i>-Xylylene-1,1'-bis[(3,5-dimethyl-5,6-dihydro-1,3,5-triazine-6-spiro-9'-fluorene)-2,4(1<i>H</i>,3<i>H</i>)-dione]
Acta Crystallographica Section C
52(9)
(1996)
2337-2340 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
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2,005,361 | 9.969 | 0.002 | 15.883 | 0.001 | 19.369 | 0.002 | 90 | null | 95.2 | 0.01 | 90 | null | 3,054.2 | 0.7 | 294 | null | 294 | null | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | - C42 H30 O - | - C42 H30 O - | - C168 H120 O4 - | 4 | 1 | FG1189 | Fu, T. Y.; Olovsson, G.; Scheffer, J. R.; Trotter, J. | 9,10,12,14-Tetrahydro-12,12,14,14-tetraphenyl-9,10[3',4']-furanoanthracene | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2347 | 2349 | 10.1107/S0108270196006245 | 1.5418 | CuKα | null | 0.039 | null | null | 0.035 | null | null | null | null | 1.85 | 1.85 | null | null | null | has coordinates | Fu, T. Y.; Olovsson, G.; Scheffer, J. R.; Trotter, J.
9,10,12,14-Tetrahydro-12,12,14,14-tetraphenyl-9,10[3',4']-furanoanthracene
Acta Crystallographica Section C
52(9)
(1996)
2347-2349 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
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4,322,177 | 13.701 | 0.004 | 24.447 | 0.011 | 13.995 | 0.005 | 90 | null | 99.62 | 0.03 | 90 | null | 4,622 | 3 | 295 | 2 | 295 | 2 | null | null | null | null | 'synthesis described in the paper' | 6 | P 1 21/n 1 | -P 2yn | 14 | 'bis-μ-hydroxo-bis[aquahydroxodotriacontaoxo-μ12-(tetraoxosilicato)-' '(β-4,10-dinickeldecatungsten)ate](12-) | - H48 K12 Ni4 O98 Si2 W20 - | - K12 Ni4 O98 Si2 W20 - | - K24 Ni8 O196 Si4 W40 - | 2 | 0.5 | Ulrich Kortz; Yves P. Jeannin; André Tézé; Gilbert Hervé; Samih Isber | A Novel Dimeric Ni-Substituted β-Keggin Silicotungstate: Structure and Magnetic Properties of K12[{β-SiNi2W10O36(OH)2(H2O)}2].20H2O | Inorganic Chemistry | 1,999 | 38 | 3670 | 3675 | 10.1021/ic990008d | 0.71069 | MoKα | null | 0.046 | null | null | 0.0542 | null | null | null | null | 9.4654 | 9.4654 | null | null | null | has coordinates | Ulrich Kortz; Yves P. Jeannin; André Tézé; Gilbert Hervé; Samih Isber
A Novel Dimeric Ni-Substituted β-Keggin Silicotungstate: Structure and Magnetic Properties of K12[{β-SiNi2W10O36(OH)2(H2O)}2].20H2O
Inorganic Chemistry
38
(1999)
3670-3675 | 211,332 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,005,362 | 11.798 | 0.003 | 10.259 | 0.003 | 13.326 | 0.004 | 90 | null | 92.38 | 0.07 | 90 | null | 1,611.5 | 0.8 | 160 | 2 | 160 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C7.5 H22.5 Cl0.5 Mo2 O9.5 - | - C7.51 H22.53 Cl0.49 Mo2 O9.51 - | - C30.04 H90.12 Cl1.96 Mo8 O38.04 - | 4 | 1 | FG1191 | Clegg, W.; Elsegood, M. R. J.; Errington, R. J.; Bakri, R. | A 3:1 Disordered Solid Solution of Di-μ-methoxo-<i>O</i>:<i>O</i>-bis[trimethoxooxomolybdenum(VI)] and Di-μ-methoxo-<i>O</i>:<i>O</i>-bis[chlorodimethoxooxomolybdenum(VI)] | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2145 | 2148 | 10.1107/S0108270196006257 | 0.71073 | MoKα | 0.0394 | 0.0303 | null | 0.0783 | 0.071 | null | null | null | 1.122 | 1.125 | 1.125 | null | null | null | has coordinates,has disorder | Clegg, W.; Elsegood, M. R. J.; Errington, R. J.; Bakri, R.
A 3:1 Disordered Solid Solution of Di-μ-methoxo-<i>O</i>:<i>O</i>-bis[trimethoxooxomolybdenum(VI)] and Di-μ-methoxo-<i>O</i>:<i>O</i>-bis[chlorodimethoxooxomolybdenum(VI)]
Acta Crystallographica Section C
52(9)
(1996)
2145-2148 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,005,363 | 9.743 | 0.002 | 11.574 | 0.002 | 12.184 | 0.002 | 79.89 | 0.02 | 69.17 | 0.02 | 81.32 | 0.02 | 1,258.3 | 0.4 | 276 | null | null | null | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C29 H24 Cl Ni P S - | - C34 H19 Cl Ni P S - | - C68 H38 Cl2 Ni2 P2 S2 - | 2 | 1 | HA1150 | Darkwa, J.; Milius, W. | (4-Chlorobenzenethiolato-<i>S</i>)(η^5^-cyclopentadienyl)(triphenylphosphine-<i>P</i>)nickel(II) | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2159 | 2161 | 10.1107/S0108270196005896 | 0.71073 | MoKα | null | 0.0696 | null | null | 0.037 | null | null | null | null | 1.37 | 1.37 | null | null | null | has coordinates | Darkwa, J.; Milius, W.
(4-Chlorobenzenethiolato-<i>S</i>)(η^5^-cyclopentadienyl)(triphenylphosphine-<i>P</i>)nickel(II)
Acta Crystallographica Section C
52(9)
(1996)
2159-2161 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,005,364 | 9.013 | 0.003 | 7.055 | 0.004 | 18.118 | 0.002 | 90 | null | 98.51 | 0.02 | 90 | null | 1,139.4 | 0.8 | 173 | 2 | 173 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | 2-saccharinperethanoic acid monohydrate | 3-oxo-1,2-benzisothiazole-2(3H)-perethanoic acid monohydrate | - C9 H9 N O7 S - | - C9 H6 N O7 S - | - C36 H24 N4 O28 S4 - | 4 | 1 | HA1157 | Feeder, N.; Jones, W. | <i>N</i>-Saccharinperacetic Acid Monohydrate and <i>N</i>-Saccharinpentanoic Acid Monohydrate | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2323 | 2326 | 10.1107/S0108270196003769 | 0.71069 | MoKα | 0.0634 | 0.0466 | null | 0.134 | 0.1222 | null | null | null | 1.046 | 1.089 | 1.089 | null | null | null | has coordinates | Feeder, N.; Jones, W.
<i>N</i>-Saccharinperacetic Acid Monohydrate and <i>N</i>-Saccharinpentanoic Acid Monohydrate
Acta Crystallographica Section C
52(9)
(1996)
2323-2326 | 201,955 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,005,365 | 8.412 | 0.003 | 9.19 | 0.003 | 10.88 | 0.006 | 66.74 | 0.03 | 88.86 | 0.03 | 64.67 | 0.03 | 687.1 | 0.6 | 295 | 2 | 295 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | 5-saccharinpentanoic acid monohydrate | 3-oxo-1,2-benzisothiazole-2(3H)-pentanoic acid 1,1-dioxide monohydrate | - C12 H15 N O6 S - | - C12 H12 N O6 S - | - C24 H24 N2 O12 S2 - | 2 | 1 | HA1157 | Feeder, N.; Jones, W. | <i>N</i>-Saccharinperacetic Acid Monohydrate and <i>N</i>-Saccharinpentanoic Acid Monohydrate | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2323 | 2326 | 10.1107/S0108270196003769 | 0.71073 | MoKα | 0.0627 | 0.0455 | null | 0.1473 | 0.1344 | null | null | null | 1.121 | 1.172 | 1.172 | null | null | null | has coordinates | Feeder, N.; Jones, W.
<i>N</i>-Saccharinperacetic Acid Monohydrate and <i>N</i>-Saccharinpentanoic Acid Monohydrate
Acta Crystallographica Section C
52(9)
(1996)
2323-2326 | 201,955 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,005,366 | 8.248 | 0.003 | 9.593 | 0.003 | 10.943 | 0.003 | 90 | null | 99.48 | 0.01 | 90 | null | 854 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | (2R,3S)-3-benzamido-3-methoxycarbonylbicyclo[2.2.2]octane-2-carboxylic acid | - C18 H21 N O5 - | - C18 H21 N O5 - | - C36 H42 N2 O10 - | 2 | 1 | HA1159 | Buñuel, E.; Cativiela, C.; Díaz-de-Villegas, M. D.; Gálvez, J. A. | A New Conformationally Restricted Aspartic Acid Analogue with a Bicyclo[2.2.2]octane Skeleton | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2292 | 2294 | 10.1107/S0108270196004696 | 0.71073 | MoKα | 0.0623 | 0.044 | null | 0.1134 | 0.1019 | null | null | null | 1.062 | 1.084 | 1.084 | null | null | null | has coordinates | Buñuel, E.; Cativiela, C.; Díaz-de-Villegas, M. D.; Gálvez, J. A.
A New Conformationally Restricted Aspartic Acid Analogue with a Bicyclo[2.2.2]octane Skeleton
Acta Crystallographica Section C
52(9)
(1996)
2292-2294 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
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