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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
2,003,477 | 19.951 | 0.006 | 7.17 | 0.002 | 19.761 | 0.008 | 90 | null | 90 | null | 90 | null | 2,826.8 | 1.6 | 291 | null | null | null | null | null | null | null | 6 | P b n a | -P 2ac 2b | 60 | - C12 H18 Br N3 O Zn - | - C12 H18 Br N3 O Zn - | - C96 H144 Br8 N24 O8 Zn8 - | 8 | 1 | MU1129 | Haber, V.; Fábry, J.; Petříček, V. | A New Schiff Base Complex: {<i>N</i>-[3-(2-Aminoethylamino)propyl]salicylideneaminato-<i>O</i>,<i>N</i>,<i>N</i>',<i>N</i>''}bromozinc(II) | Acta Crystallographica Section C | 1,995 | 51 | 5 | 884 | 887 | 10.1107/S010827019401245X | 0.56087 | AgKα(Pdfilter) | null | null | null | null | 0.0777 | null | null | null | null | 2.65 | 2.65 | null | null | null | has coordinates | Haber, V.; Fábry, J.; Petříček, V.
A New Schiff Base Complex: {<i>N</i>-[3-(2-Aminoethylamino)propyl]salicylideneaminato-<i>O</i>,<i>N</i>,<i>N</i>',<i>N</i>''}bromozinc(II)
Acta Crystallographica Section C
51(5)
(1995)
884-887 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,478 | 15.75 | 0.003 | 6.112 | 0.002 | 13.704 | 0.003 | 90 | null | 105.98 | 0.03 | 90 | null | 1,268.2 | 0.6 | 293 | null | 293 | null | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | 15 | 1,3,5,7-tetramethyl-2,4,6,8(1H,3H,5H,7H)-pyrimido[4,5-g]pteridinetetrone | - C12 H12 N6 O4 - | - C12 H12 N6 O4 - | - C48 H48 N24 O16 - | 4 | 0.5 | MU1130 | Romerosa, A.; Colacio, E.; Suárez-Varela, J.; Avila-Rosón, J. C.; Hidalgo, M. A.; Romero-Garzón, J. | Oxidation of 5,6-Diamino-1,3-dimethyluracil by Metal Ions: Structure of 1,3,6,8-Tetramethyl-2,4,7,9(1<i>H</i>,3<i>H</i>,6<i>H</i>,8<i>H</i>)-pyrimido[4,5-<i>g</i>]pteridinetetrone | Acta Crystallographica Section C | 1,995 | 51 | 5 | 1005 | 1007 | 10.1107/S0108270194009595 | 0.71069 | MoKα | 0.2251 | 0.0482 | null | 0.169 | 0.0526 | null | null | null | null | 2.3091 | 2.3091 | null | null | null | has coordinates | Romerosa, A.; Colacio, E.; Suárez-Varela, J.; Avila-Rosón, J. C.; Hidalgo, M. A.; Romero-Garzón, J.
Oxidation of 5,6-Diamino-1,3-dimethyluracil by Metal Ions: Structure of 1,3,6,8-Tetramethyl-2,4,7,9(1<i>H</i>,3<i>H</i>,6<i>H</i>,8<i>H</i>)-pyrimido[4,5-<i>g</i>]pteridinetetrone
Acta Crystallographica Section C
51(5)
(... | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
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2,003,479 | 7.349 | 0.003 | 7.535 | 0.003 | 14.539 | 0.005 | 90 | null | 90 | null | 90 | null | 805.1 | 0.5 | 297 | 2 | 297 | 2 | null | null | null | null | 5 | P 21 21 21 | P 2ac 2ab | 19 | potassium D-3-phosphoglycerate | - C3 H6 K O7 P - | - C3 H6 K O7 P - | - C12 H24 K4 O28 P4 - | 4 | 1 | MU1133 | Lis, T.; Jerzykiewicz, L. B. | Potassium <small>D</small>-3-Phosphoglycerate and Cyclohexylammonium <small>D</small>-3-Phosphoglycerate Hydrate | Acta Crystallographica Section C | 1,995 | 51 | 5 | 1001 | 1005 | 10.1107/S0108270194010474 | 0.71069 | MoKα | 0.0313 | 0.0264 | null | 0.0726 | 0.0703 | null | null | null | 1.123 | 1.131 | 1.131 | null | null | null | has coordinates | Lis, T.; Jerzykiewicz, L. B.
Potassium <small>D</small>-3-Phosphoglycerate and Cyclohexylammonium <small>D</small>-3-Phosphoglycerate Hydrate
Acta Crystallographica Section C
51(5)
(1995)
1001-1005 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,003,480 | 11.332 | 0.006 | 22.406 | 0.011 | 5.783 | 0.003 | 90 | null | 90 | null | 90 | null | 1,468.3 | 1.3 | null | null | 85 | 2 | null | null | null | null | 5 | P 21 21 2 | P 2 2ab | 18 | Cyclohexylammonium D-3-phosphoglycerate monohydrate | - C9 H22 N O8 P - | - C9 H22 N O8 P - | - C36 H88 N4 O32 P4 - | 4 | 1 | MU1133 | Lis, T.; Jerzykiewicz, L. B. | Potassium <small>D</small>-3-Phosphoglycerate and Cyclohexylammonium <small>D</small>-3-Phosphoglycerate Hydrate | Acta Crystallographica Section C | 1,995 | 51 | 5 | 1001 | 1005 | 10.1107/S0108270194010474 | 0.71069 | MoKα | null | 0.0433 | null | null | 0.1037 | null | null | null | null | 1.061 | 1.061 | null | null | null | has coordinates,has disorder | Lis, T.; Jerzykiewicz, L. B.
Potassium <small>D</small>-3-Phosphoglycerate and Cyclohexylammonium <small>D</small>-3-Phosphoglycerate Hydrate
Acta Crystallographica Section C
51(5)
(1995)
1001-1005 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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4,322,381 | 17.3362 | 0.0003 | 17.6679 | 0.0003 | 30.9649 | 0.0002 | 90 | null | 103.592 | 0.001 | 90 | null | 9,218.7 | 0.2 | 213 | 2 | 213 | 2 | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | - C46 H64 N2 O1.5 S4 W - | - C46 H64 N2 O1.5 S4 W - | - C368 H512 N16 O12 S32 W8 - | 8 | 2 | Christine A. Goddard; R. H. Holm | Synthesis and Reactivity Aspects of the Bis(dithiolene) Chalcogenide Series [WIVQ(S2C2R2)2]2- (Q = O, S, Se) | Inorganic Chemistry | 1,999 | 38 | 5389 | 5398 | 10.1021/ic9903329 | 0.71073 | MoKα | 0.0639 | 0.0412 | null | 0.1035 | 0.0973 | null | null | null | 1.005 | 1.122 | 1.122 | null | null | null | has coordinates,has disorder | Christine A. Goddard; R. H. Holm
Synthesis and Reactivity Aspects of the Bis(dithiolene) Chalcogenide Series [WIVQ(S2C2R2)2]2- (Q = O, S, Se)
Inorganic Chemistry
38
(1999)
5389-5398 | 176,467 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,481 | 15.369 | 0.004 | 14.399 | 0.007 | 13.772 | 0.003 | 90 | null | 90.88 | 0.07 | 90 | null | 3,047.4 | 1.8 | 293 | null | null | null | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | Bis-dioxo ((N,N,N',N'-tetrakis (2-pyridylmethyl-2-ol-1,3-propanediamine) -divanadium (V) Iodide dihydrate ((VO~2~)~2~ (TPHPN))I.2H~2~O | - C27 H33 I N6 O7 V2 - | - C27 H33 I N6 O7 V2 - | - C108 H132 I4 N24 O28 V8 - | 4 | 1 | MU1137 | Neves, A.; Vencato, I.; Hörner, M.; Fenner, H. | μ-[<i>N</i>,<i>N</i>-Bis(2-pyridylmethyl-1κ<i>N</i>)-<i>N</i>',<i>N</i>'-bis(2-pyridylmethyl-2κ<i>N</i>)-1,3-diaminopropan-2-olato]-1κ<i>N</i>,2κ<i>N</i>',1:2κ^2^<i>O</i>-bis(dioxovanadium)(1+) Iodide Dihydrate, [(VO~2~)~2~(TPHPN)]I.2H~2~O | Acta Crystallographica Section C | 1,995 | 51 | 5 | 809 | 811 | 10.1107/S0108270194009066 | 0.71073 | MoKα | null | 0.0424 | null | null | 0.0516 | null | null | null | null | 2.7 | 2.7 | null | null | null | has coordinates | Neves, A.; Vencato, I.; Hörner, M.; Fenner, H.
μ-[<i>N</i>,<i>N</i>-Bis(2-pyridylmethyl-1κ<i>N</i>)-<i>N</i>',<i>N</i>'-bis(2-pyridylmethyl-2κ<i>N</i>)-1,3-diaminopropan-2-olato]-1κ<i>N</i>,2κ<i>N</i>',1:2κ^2^<i>O</i>-bis(dioxovanadium)(1+) Iodide Dihydrate, [(VO~2~)~2~(TPHPN)]I.2H~2~O
Acta Crystallographica Section C
... | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
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2,003,482 | 7.296 | 0.004 | 7.451 | 0.003 | 9.333 | 0.004 | 87.77 | 0.05 | 79.45 | 0.05 | 82.03 | 0.04 | 493.9 | 0.4 | 296 | 2 | 296 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | tripotassium phosphoglycolate dihydrate | - C2 H6 K3 O8 P - | - C2 H6 K3 O8 P - | - C4 H12 K6 O16 P2 - | 2 | 1 | MU1147 | Lis, T. | Tripotassium Phosphoglycolate Dihydrate and Tris(cyclohexylammonium) Phosphoglycolate Trihydrate | Acta Crystallographica Section C | 1,995 | 51 | 5 | 997 | 1001 | 10.1107/S0108270194011297 | 0.71069 | MoKα | null | 0.0263 | null | null | 0.0665 | null | null | null | null | 1.082 | 1.082 | null | null | null | has coordinates | Lis, T.
Tripotassium Phosphoglycolate Dihydrate and Tris(cyclohexylammonium) Phosphoglycolate Trihydrate
Acta Crystallographica Section C
51(5)
(1995)
997-1001 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,483 | 22.512 | 0.009 | 19.613 | 0.009 | 6.201 | 0.003 | 90 | null | 90 | null | 90 | null | 2,738 | 2 | null | null | 85 | 2 | null | null | null | null | 5 | P n a 21 | P 2c -2n | 33 | tris(cyclohexylammonium) phosphoglycolate trihydrate | - C20 H50 N3 O9 P - | - C20 H50 N3 O9 P - | - C80 H200 N12 O36 P4 - | 4 | 1 | MU1147 | Lis, T. | Tripotassium Phosphoglycolate Dihydrate and Tris(cyclohexylammonium) Phosphoglycolate Trihydrate | Acta Crystallographica Section C | 1,995 | 51 | 5 | 997 | 1001 | 10.1107/S0108270194011297 | 0.71069 | MoKα | null | 0.0431 | null | null | 0.1157 | null | null | null | null | 1.096 | 1.096 | null | null | null | has coordinates | Lis, T.
Tripotassium Phosphoglycolate Dihydrate and Tris(cyclohexylammonium) Phosphoglycolate Trihydrate
Acta Crystallographica Section C
51(5)
(1995)
997-1001 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
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2,003,484 | 7.595 | 0.005 | 10.146 | 0.006 | 15.005 | 0.01 | 77.28 | 0.05 | 75.93 | 0.05 | 69.39 | 0.05 | 1,038.2 | 1.2 | 296 | null | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C23 H21 Mn N2 O6 - | - C23 H21 Mn N2 O6 - | - C46 H42 Mn2 N4 O12 - | 2 | 1 | MU1150 | Dutta, S.; Manivannan, V.; Giri Babu, L.; Pal, S. | A Mononuclear Manganese(III) Schiff Base Complex, [Mn(C~14~H~10~N~2~O~2~)(C~8~H~7~O~3~)(CH~4~O)] | Acta Crystallographica Section C | 1,995 | 51 | 5 | 813 | 815 | 10.1107/S0108270194012151 | 0.71073 | MoKα | null | 0.047 | null | null | 0.0595 | null | null | null | null | 0.9 | 0.9 | null | null | null | has coordinates | Dutta, S.; Manivannan, V.; Giri Babu, L.; Pal, S.
A Mononuclear Manganese(III) Schiff Base Complex, [Mn(C~14~H~10~N~2~O~2~)(C~8~H~7~O~3~)(CH~4~O)]
Acta Crystallographica Section C
51(5)
(1995)
813-815 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
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2,003,485 | 9.3055 | 0.0006 | 8.4118 | 0.0006 | 12.3965 | 0.0007 | 90 | null | 98.731 | 0.007 | 90 | null | 959.1 | 0.11 | 293 | 2 | 293 | 2 | null | null | null | null | Laboratory of Medicinal Chemistry, Liège | 5 | P 1 21/n 1 | -P 2yn | 14 | 3-Methyl-4H-pyrido[4,3-e]-1,2,4-thiadiazine 1,1-Dioxide Monohydrate | - C7 H9 N3 O3 S - | - C7 H9 N3 O3 S - | - C28 H36 N12 O12 S4 - | 4 | 1 | MU1153 | Dupont, L.; de Tullio, P.; Pirotte, B.; Masereel, B.; Delarge, J. | 3-Methyl-4<i>H</i>-pyrido[4,3-<i>e</i>][1,2,4]thiadiazine 1,1-Dioxide Monohydrate | Acta Crystallographica Section C | 1,995 | 51 | 5 | 946 | 948 | 10.1107/S0108270194013235 | 1.5418 | CuKα | 0.0394 | 0.0375 | null | 0.102 | 0.1012 | null | null | null | 1.089 | 1.125 | 1.125 | null | null | null | has coordinates,has Fobs | Dupont, L.; de Tullio, P.; Pirotte, B.; Masereel, B.; Delarge, J.
3-Methyl-4<i>H</i>-pyrido[4,3-<i>e</i>][1,2,4]thiadiazine 1,1-Dioxide Monohydrate
Acta Crystallographica Section C
51(5)
(1995)
946-948 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
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4,322,380 | 13.3608 | 0.0007 | 11.4546 | 0.0006 | 18.6255 | 0.001 | 90 | null | 101.73 | null | 90 | null | 2,791 | 0.3 | 213 | 2 | 213 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C30 H20 O2 S4 W - | - C30 H20 O2 S4 W - | - C120 H80 O8 S16 W4 - | 4 | 1 | Christine A. Goddard; R. H. Holm | Synthesis and Reactivity Aspects of the Bis(dithiolene) Chalcogenide Series [WIVQ(S2C2R2)2]2- (Q = O, S, Se) | Inorganic Chemistry | 1,999 | 38 | 5389 | 5398 | 10.1021/ic9903329 | 0.71073 | MoKα | 0.0298 | 0.0261 | null | 0.0653 | 0.0642 | null | null | null | 1.073 | 1.117 | 1.117 | null | null | null | has coordinates | Christine A. Goddard; R. H. Holm
Synthesis and Reactivity Aspects of the Bis(dithiolene) Chalcogenide Series [WIVQ(S2C2R2)2]2- (Q = O, S, Se)
Inorganic Chemistry
38
(1999)
5389-5398 | 179,326 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,486 | 13.899 | 0.002 | 12.156 | 0.002 | 15.781 | 0.003 | 90 | null | 105.84 | 0.02 | 90 | null | 2,565.1 | 0.8 | 294 | 2 | 294 | 2 | null | null | null | null | 5 | I 1 2/a 1 | -I 2ya | 15 | Zn(ω-nap)~2~ dipyridine adduct | bis(ω-nitroacetophenonato)Zn(II) cis-dipyridine adduct | - C26 H22 N4 O6 Zn - | - C26 H22 N4 O6 Zn - | - C104 H88 N16 O24 Zn4 - | 4 | 0.5 | MU1155 | Falvello, L. R.; Hicke, S.; Mueller, T. E. | <i>cis</i>-Dipyridine Complex of Bis(ω-nitroacetophenonato)zinc(II) | Acta Crystallographica Section C | 1,995 | 51 | 5 | 859 | 861 | 10.1107/S010827019401293X | 0.71073 | MoKα | 0.0749 | 0.0386 | null | 0.0818 | 0.0708 | null | null | null | 1.065 | 1.101 | 1.101 | null | null | null | has coordinates,has Fobs | Falvello, L. R.; Hicke, S.; Mueller, T. E.
<i>cis</i>-Dipyridine Complex of Bis(ω-nitroacetophenonato)zinc(II)
Acta Crystallographica Section C
51(5)
(1995)
859-861 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
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2,003,487 | 8.186 | 0.001 | 11.107 | 0.001 | 11.515 | 0.002 | 80.28 | 0.01 | 76.36 | 0.03 | 68.73 | 0.01 | 944.1 | 0.2 | 293 | null | null | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C40 H44 N12 Ni - | - C40 H40 N12 Ni - | - C40 H40 N12 Ni - | 1 | 0.5 | NA1102 | Muñoz, M. C.; Cano, J.; Ruiz, R.; Lloret, F.; Faus, J. | The 7,7,8,8-Tetracyanoquinodimethane Salt of (<i>C</i>-<i>meso</i>-5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane)nickel(II), [Ni(<i>C</i>-<i>meso</i>-Me~6~[14]aneN~4~)](TCNQ)~2~ | Acta Crystallographica Section C | 1,995 | 51 | 5 | 873 | 876 | 10.1107/S0108270194010401 | 0.71069 | MoKα | null | 0.042 | null | null | 0.042 | null | null | null | null | 1.7 | 1.7 | null | null | null | has coordinates | Muñoz, M. C.; Cano, J.; Ruiz, R.; Lloret, F.; Faus, J.
The 7,7,8,8-Tetracyanoquinodimethane Salt of (<i>C</i>-<i>meso</i>-5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane)nickel(II), [Ni(<i>C</i>-<i>meso</i>-Me~6~[14]aneN~4~)](TCNQ)~2~
Acta Crystallographica Section C
51(5)
(1995)
873-876 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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2,003,488 | 12.719 | 0.002 | 12.906 | 0.002 | 16.93 | 0.003 | 68.2 | 0.02 | 68.23 | 0.02 | 64.08 | 0.02 | 2,247.2 | 0.8 | 294 | null | null | null | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C44 H28 Cl3 N4 Rh Sn - | - C44 H28 Cl3 N4 Rh Sn - | - C88 H56 Cl6 N8 Rh2 Sn2 - | 2 | 1 | NA1113 | Licoccia, S.; Paolesse, R.; Boschi, T.; Bandoli, G.; Dolmella, A. | Trichlorotin(II)‒(<i>meso</i>-Tetraphenylporphyrinato)rhodium(III), a Porphyrin Derivative with an Rh—Sn Bond | Acta Crystallographica Section C | 1,995 | 51 | 5 | 833 | 835 | 10.1107/S0108270194012424 | 0.71073 | MoKα | null | 0.057 | null | null | 0.08 | null | null | null | null | 1.72 | 1.72 | null | null | null | has coordinates | Licoccia, S.; Paolesse, R.; Boschi, T.; Bandoli, G.; Dolmella, A.
Trichlorotin(II)‒(<i>meso</i>-Tetraphenylporphyrinato)rhodium(III), a Porphyrin Derivative with an Rh—Sn Bond
Acta Crystallographica Section C
51(5)
(1995)
833-835 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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2,003,489 | 17.842 | 0.003 | 5.489 | 0.001 | 20.045 | 0.002 | 90 | null | 105.18 | 0.01 | 90 | null | 1,894.6 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | [(Aqua)(glicinato)(3,4,7,8-tetramethyl-1,10-phenanthroline) copper(II)] nitrate. | - C18 H22 Cu N4 O6 - | - C18 H22 Cu N4 O6 - | - C72 H88 Cu4 N16 O24 - | 4 | 1 | NA1125 | Alvarez-Larena, A.; Briansó-Penalva, J. L.; Piniella, J. F.; Moreno-Esparza, R.; Ruiz-Ramírez, L.; Ferrer-Sueta, G. | Aqua(glycinato)(3,4,7,8-tetramethyl-1,10-phenanthroline)copper(II) Nitrate | Acta Crystallographica Section C | 1,995 | 51 | 5 | 852 | 854 | 10.1107/S0108270194013041 | 0.71069 | MoKα | 0.0467 | 0.0406 | null | 0.0973 | 0.0918 | null | null | null | 1.253 | 1.245 | 1.245 | null | null | null | has coordinates | Alvarez-Larena, A.; Briansó-Penalva, J. L.; Piniella, J. F.; Moreno-Esparza, R.; Ruiz-Ramírez, L.; Ferrer-Sueta, G.
Aqua(glycinato)(3,4,7,8-tetramethyl-1,10-phenanthroline)copper(II) Nitrate
Acta Crystallographica Section C
51(5)
(1995)
852-854 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
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2,003,490 | 12.995 | 0.001 | 7.161 | 0.001 | 16.187 | 0.001 | 90 | null | 112.37 | 0.01 | 90 | null | 1,393 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | 3-Hydroxyimino-5α,13α,14β,17α-lanosta-8,24-dien-20-oic Acid | - C30 H47 N O3 - | - C30 H47 N O3 - | - C60 H94 N2 O6 - | 2 | 1 | NA1127 | Argay, G.; Kálmán, A.; Vladimirov, S.; Zivanov-Stakic, D.; Ribár, B. | 3-Hydroxyimino-5α,13α,14β,17α-lanosta-8,24-dien-20-oic Acid | Acta Crystallographica Section C | 1,995 | 51 | 5 | 958 | 960 | 10.1107/S010827019401228X | 1.5418 | CuKα | 0.0348 | 0.0337 | null | 0.1024 | 0.0968 | null | null | null | 1.117 | 1.064 | 1.064 | null | null | null | has coordinates | Argay, G.; Kálmán, A.; Vladimirov, S.; Zivanov-Stakic, D.; Ribár, B.
3-Hydroxyimino-5α,13α,14β,17α-lanosta-8,24-dien-20-oic Acid
Acta Crystallographica Section C
51(5)
(1995)
958-960 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
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2,003,491 | 25.601 | 0.003 | 8.3508 | 0.0014 | 6.8213 | 0.001 | 90 | null | 90 | null | 90 | null | 1,458.3 | 0.4 | 122 | 2 | 122 | 2 | null | null | null | null | 4 | P c a 21 | P 2c -2ac | 29 | (R,S)-1-phenylethylammonium (R,S)-mandelate | (R,S)-1-Phenylethylammonium (R,S)-2-hydroxy-2-phenylethanoate | - C16 H19 N O3 - | - C16 H19 N O3 - | - C64 H76 N4 O12 - | 4 | 1 | NA1135 | Lopez de Diego, H. | (<i>R</i>,<i>S</i>)-1-Phenylethylammonium (<i>R</i>,<i>S</i>)-Mandelate | Acta Crystallographica Section C | 1,995 | 51 | 5 | 935 | 937 | 10.1107/S010827019401303X | 1.5418 | CuKα | 0.0304 | 0.0288 | null | 0.0764 | 0.0749 | null | null | null | 1.053 | 1.058 | 1.058 | null | null | null | has coordinates | Lopez de Diego, H.
(<i>R</i>,<i>S</i>)-1-Phenylethylammonium (<i>R</i>,<i>S</i>)-Mandelate
Acta Crystallographica Section C
51(5)
(1995)
935-937 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
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2,003,492 | 8.217 | 0.007 | 31.54 | 0.01 | 10.384 | 0.004 | 90 | null | 98.09 | 0.04 | 90 | null | 2,664 | 3 | 293 | null | 293 | null | null | null | null | null | Janssen Research Foundation, Belgium | 5 | P 1 21/n 1 | -P 2yn | 14 | N-[2-(3-Methoxyphenoxy)propyl]-m-tolylacetamidinium p-Toluenesulfonate Monohydrate | - C26 H34 N2 O6 S - | - C33 H41 N2 O6 S - | - C132 H164 N8 O24 S4 - | 4 | 1 | NA1140 | Blaton, N. M.; Peeters, O. M.; De Ranter, C. J. | <i>N</i>-[2-(3-Methoxyphenoxy)propyl]-<i>m</i>-tolylacetamidinium <i>p</i>-Toluenesulfonate Monohydrate (Xylamidine) | Acta Crystallographica Section C | 1,995 | 51 | 5 | 991 | 993 | 10.1107/S0108270194013818 | 1.54184 | CuKα | 0.0775 | 0.0511 | null | 0.1575 | 0.1389 | null | null | null | 1.08 | 1.078 | 1.078 | null | null | null | has coordinates | Blaton, N. M.; Peeters, O. M.; De Ranter, C. J.
<i>N</i>-[2-(3-Methoxyphenoxy)propyl]-<i>m</i>-tolylacetamidinium <i>p</i>-Toluenesulfonate Monohydrate (Xylamidine)
Acta Crystallographica Section C
51(5)
(1995)
991-993 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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4,322,379 | 7.0858 | 0.0005 | 7.7923 | 0.0006 | 13.5874 | 0.001 | 93.665 | 0.001 | 94.437 | 0.001 | 95.724 | 0.001 | 742.3 | 0.09 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C10 H12 O2 S4 W - | - C10 H12 O2 S4 W - | - C20 H24 O4 S8 W2 - | 2 | 1 | Christine A. Goddard; R. H. Holm | Synthesis and Reactivity Aspects of the Bis(dithiolene) Chalcogenide Series [WIVQ(S2C2R2)2]2- (Q = O, S, Se) | Inorganic Chemistry | 1,999 | 38 | 5389 | 5398 | 10.1021/ic9903329 | 0.71073 | MoKα | 0.0293 | 0.026 | null | 0.0595 | 0.0589 | null | null | null | 1.022 | 1.061 | 1.061 | null | null | null | has coordinates | Christine A. Goddard; R. H. Holm
Synthesis and Reactivity Aspects of the Bis(dithiolene) Chalcogenide Series [WIVQ(S2C2R2)2]2- (Q = O, S, Se)
Inorganic Chemistry
38
(1999)
5389-5398 | 179,326 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,493 | 10.1429 | 0.0002 | 10.1429 | 0.0002 | 10.1429 | 0.0002 | 90 | null | 90 | null | 90 | null | 1,043.49 | 0.04 | 295 | null | null | null | null | null | null | null | Powder | 3 | F d 3 m | F 4d 2 3 -1d | null | - O7 Ru2 Y2 - | - O16 Ru Y - | - O128 Ru8 Y8 - | 8 | null | OH1070 | Kennedy, B. J. | Structure Refinement of Y~2~Ru~2~O~7~ by Neutron Powder Diffraction | Acta Crystallographica Section C | 1,995 | 51 | 5 | 790 | 792 | 10.1107/S0108270194013168 | neutron | null | neutron | null | 0.0602 | null | null | 0.0794 | null | null | null | null | null | null | null | null | null | has coordinates | Kennedy, B. J.
Structure Refinement of Y~2~Ru~2~O~7~ by Neutron Powder Diffraction
Acta Crystallographica Section C
51(5)
(1995)
790-792 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,494 | 11.049 | 0.004 | 18.659 | 0.006 | 11.602 | 0.004 | 90 | null | 117.08 | 0.02 | 90 | null | 2,129.7 | 1.3 | 293 | null | 293 | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | (±)-3-methyl-1-diphenyl-2-butyl 3-acetamidocrotonate | - C23 H27 N O3 - | - C23 H27 N O3 - | - C92 H108 N4 O12 - | 4 | 1 | PA1050 | Chiaroni, A.; Riche, C.; Dumas, F.; Potin, D.; d'Angelo, J. | (±)-3-Methyl-1,1-diphenyl-2-butyl 3-Acetamidocrotonate and its Hydrogenation Product | Acta Crystallographica Section C | 1,995 | 51 | 5 | 967 | 970 | 10.1107/S0108270193007383 | 1.5418 | CuKα | null | 0.051 | null | null | 0.07 | null | null | null | null | 0.67 | 0.67 | null | null | null | has coordinates | Chiaroni, A.; Riche, C.; Dumas, F.; Potin, D.; d'Angelo, J.
(±)-3-Methyl-1,1-diphenyl-2-butyl 3-Acetamidocrotonate and its Hydrogenation Product
Acta Crystallographica Section C
51(5)
(1995)
967-970 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
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2,003,495 | 22.41 | 0.03 | 20.76 | 0.02 | 9.195 | 0.006 | 90 | null | 90 | null | 90 | null | 4,278 | 8 | 293 | null | 293 | null | null | null | null | null | from chemical synthesis | 4 | P c c n | -P 2ab 2ac | 56 | (±)-3-methyl-1-diphenyl-2-butyl 3-acetamidobutanoate | - C23 H29 N O3 - | - C23 H29 N O3 - | - C184 H232 N8 O24 - | 8 | 1 | PA1050 | Chiaroni, A.; Riche, C.; Dumas, F.; Potin, D.; d'Angelo, J. | (±)-3-Methyl-1,1-diphenyl-2-butyl 3-Acetamidocrotonate and its Hydrogenation Product | Acta Crystallographica Section C | 1,995 | 51 | 5 | 967 | 970 | 10.1107/S0108270193007383 | 1.5418 | CuKα | null | 0.105 | null | null | 0.145 | null | null | null | null | 1.05 | 1.05 | null | null | null | has coordinates | Chiaroni, A.; Riche, C.; Dumas, F.; Potin, D.; d'Angelo, J.
(±)-3-Methyl-1,1-diphenyl-2-butyl 3-Acetamidocrotonate and its Hydrogenation Product
Acta Crystallographica Section C
51(5)
(1995)
967-970 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
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2,003,496 | 9.791 | 0.002 | 18.974 | 0.003 | 10.358 | 0.002 | 90 | null | 117.51 | 0.02 | 90 | null | 1,706.7 | 0.6 | 295 | 2 | 295 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | - C17 H23 N O6 - | - C17 H23 N O6 - | - C68 H92 N4 O24 - | 4 | 1 | PA1057 | Bocelli, G.; Cantoni, A.; Bigi, F.; Sartori, G.; Lina, F. | <i>tert</i>-Butyl 2-[(Hydroxy)(5-hydroxy-1,3-benzodioxol-6-yl)methyl]pyrrolidine-1-carboxylate | Acta Crystallographica Section C | 1,995 | 51 | 5 | 993 | 995 | 10.1107/S0108270193014118 | 1.54178 | CuKα | null | 0.059 | null | null | 0.066 | null | null | null | null | null | null | null | null | null | has coordinates | Bocelli, G.; Cantoni, A.; Bigi, F.; Sartori, G.; Lina, F.
<i>tert</i>-Butyl 2-[(Hydroxy)(5-hydroxy-1,3-benzodioxol-6-yl)methyl]pyrrolidine-1-carboxylate
Acta Crystallographica Section C
51(5)
(1995)
993-995 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
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2,003,497 | 14.29 | 0.003 | 13.571 | 0.002 | 27.314 | 0.008 | 90 | null | 90 | null | 90 | null | 5,297 | 2 | 296 | null | null | null | null | null | null | null | from acetone | 6 | P b c a | -P 2ac 2ab | 61 | - C25 H27 Nb O5 P2 W - | - C25 H27 Nb O5 P2 W - | - C200 H216 Nb8 O40 P16 W8 - | 8 | 1 | PA1107 | Oudet, P.; Kubicki, M. M.; Moise, C. | Pentacarbonyl-1κ<i>C</i>,2κ^4^<i>C</i>-bis[1,1(η^5^)-cyclopentadienyl](dimethylphenylphosphine-2κ<i>P</i>)-μ-dimethylphosphanido-niobiumtungsten | Acta Crystallographica Section C | 1,995 | 51 | 5 | 811 | 813 | 10.1107/S0108270194007262 | 0.71073 | MoKα | null | 0.043 | null | null | 0.051 | null | null | null | null | 2.22 | 2.22 | null | null | null | has coordinates | Oudet, P.; Kubicki, M. M.; Moise, C.
Pentacarbonyl-1κ<i>C</i>,2κ^4^<i>C</i>-bis[1,1(η^5^)-cyclopentadienyl](dimethylphenylphosphine-2κ<i>P</i>)-μ-dimethylphosphanido-niobiumtungsten
Acta Crystallographica Section C
51(5)
(1995)
811-813 | 190,987 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,498 | 8.955 | 0.005 | 11.085 | 0.003 | 17.45 | 0.005 | 83.9 | 0.02 | 78.8 | 0.01 | 85.3 | 0.02 | 1,686.2 | 1.2 | 293 | null | 293 | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | Sel de maprotiline | N-méthyl-N-[Dibenzo(b,e)]-bicyclo-[2,2,2]-octadi ène]-propylcarbamate de N-méthyl-N-[Dibenzo(b,e)]-bicyclo-[2,2,2]-octadi ène]-propylammonium | - C41 H47 N2 O2.5 - | - C41 H47 N2 O2.5 - | - C82 H94 N4 O5 - | 2 | 1 | PA1112 | Brouant, P.; Reboul, J.-P.; Siri, D.; Soyfer, J.-C.; Barbe, J.; Pèpe, G. | Un sel de Maprotiline (Ludiomil), Médicament Psychotrope, C~20~H~24~N^+^.C~21~H~22~NO~2~^{-^}.0,5H~2~O | Acta Crystallographica Section C | 1,995 | 51 | 5 | 970 | 974 | 10.1107/S0108270194006049 | 0.7019 | MoKα | 0.041 | 0.041 | null | 0.042 | 0.042 | null | null | null | 1.01 | 1.01 | 1.01 | null | null | null | has coordinates | Brouant, P.; Reboul, J.-P.; Siri, D.; Soyfer, J.-C.; Barbe, J.; Pèpe, G.
Un sel de Maprotiline (Ludiomil), Médicament Psychotrope, C~20~H~24~N^+^.C~21~H~22~NO~2~^{-^}.0,5H~2~O
Acta Crystallographica Section C
51(5)
(1995)
970-974 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
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4,322,378 | 21.982 | 0.003 | 18.921 | 0.003 | 10.4381 | 0.0015 | 90 | null | 106.556 | 0.011 | 90 | null | 4,161.4 | 1.1 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | C 1 2/c 1 | -C 2yc | 15 | - C38 H28 Cl2 N9 O6 P3 - | - C38 H26 Cl2 N9 O6 P3 - | - C152 H104 Cl8 N36 O24 P12 - | 4 | 0.5 | Ok-Sang Jung; Yong Tae Kim; Young-A Lee; Yun Ju Kim; Hee K. Chae | Trinucleating Bipyridyl Ligands; Synthesis and Structure of Cobalt-Benzoquinone Complex of Cyclotriphosphazenes Bearing Dioxybipyridine Groups | Inorganic Chemistry | 1,999 | 38 | 5457 | 5460 | 10.1021/ic990215d | 0.71073 | MoKα | 0.077 | 0.0759 | null | null | 0.2127 | 0.2145 | null | null | null | null | null | 1.079 | null | null | has coordinates | Ok-Sang Jung; Yong Tae Kim; Young-A Lee; Yun Ju Kim; Hee K. Chae
Trinucleating Bipyridyl Ligands; Synthesis and Structure of Cobalt-Benzoquinone Complex of Cyclotriphosphazenes Bearing Dioxybipyridine Groups
Inorganic Chemistry
38
(1999)
5457-5460 | 179,326 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,499 | 18.169 | 0.003 | 10.932 | 0.003 | 16.12 | 0.003 | 90 | null | 117.17 | 0.02 | 90 | null | 2,848.5 | 1.2 | 293 | null | null | null | null | null | null | null | \'evaporation d'une solution m\'ethanolique | 7 | C 1 2/c 1 | -C 2yc | 15 | - C6 H17 Cl2 N5 O Pt S - | - C6 H17 Cl2 N5 O Pt S - | - C48 H136 Cl16 N40 O8 Pt8 S8 - | 8 | 1 | PA1121 | Viossat, B.; Nguyen-Huy Dung; Rodier, N.; Bentefrit, F. | Chlorure de <i>cis</i>-Chloro(diméthyl sulfoxyde)(metformine)platine(II) | Acta Crystallographica Section C | 1,995 | 51 | 5 | 878 | 880 | 10.1107/S0108270194009674 | 0.7107 | MoKα | null | 0.032 | null | null | 0.038 | null | null | null | null | 1.2 | 1.2 | null | null | null | has coordinates | Viossat, B.; Nguyen-Huy Dung; Rodier, N.; Bentefrit, F.
Chlorure de <i>cis</i>-Chloro(diméthyl sulfoxyde)(metformine)platine(II)
Acta Crystallographica Section C
51(5)
(1995)
878-880 | 199,682 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,500 | 8.174 | 0.001 | 7.228 | 0.001 | 36.114 | 0.003 | 90 | null | 86.96 | 0.01 | 90 | null | 2,130.7 | 0.4 | 293 | null | null | null | null | null | null | null | from ethanol/nitromethane (20/80 v/v) | 5 | C 1 c 1 | C -2yc | 9 | - C21 H35 Cl N2 O - | - C21 H35 Cl N2 O - | - C84 H140 Cl4 N8 O4 - | 4 | 1 | PA1122 | Aubry, A.; Brembilla, A.; Faivre, V.; Lochon, P. | 5-Dodecyl-2-(1-hydroxyethyl)benzimidazolium Chloride | Acta Crystallographica Section C | 1,995 | 51 | 5 | 893 | 894 | 10.1107/S0108270194011273 | 1.5418 | CuKα | null | 0.0463 | null | null | 0.0541 | null | null | null | null | 1.725 | 1.725 | null | null | null | has coordinates | Aubry, A.; Brembilla, A.; Faivre, V.; Lochon, P.
5-Dodecyl-2-(1-hydroxyethyl)benzimidazolium Chloride
Acta Crystallographica Section C
51(5)
(1995)
893-894 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
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2,003,501 | 17.154 | 0.002 | 5.748 | 0.001 | 17.657 | 0.002 | 90 | null | 111.96 | 0.01 | 90 | null | 1,614.7 | 0.4 | 291 | null | null | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C16 H22 N2 O2 S - | - C16 H22 N2 O2 S - | - C64 H88 N8 O8 S4 - | 4 | 1 | PA1134 | Tinant, B.; Declercq, J.-P.; Abdellaoui, H.; Depreux, P.; Lesieur, D. | <i>N</i>,<i>N</i>-Dimethyl-2-[7-(methylaminosulfonylmethyl)-1-naphthyl]ethylamine, the Naphthalenic Bioisostere of Sumatriptan | Acta Crystallographica Section C | 1,995 | 51 | 5 | 916 | 918 | 10.1107/S0108270194011601 | 1.54184 | CuKα | null | 0.042 | null | null | 0.05 | null | null | null | null | 0.9 | 0.9 | null | null | null | has coordinates | Tinant, B.; Declercq, J.-P.; Abdellaoui, H.; Depreux, P.; Lesieur, D.
<i>N</i>,<i>N</i>-Dimethyl-2-[7-(methylaminosulfonylmethyl)-1-naphthyl]ethylamine, the Naphthalenic Bioisostere of Sumatriptan
Acta Crystallographica Section C
51(5)
(1995)
916-918 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
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2,003,502 | 8.261 | 0.004 | 8.847 | 0.004 | 17.807 | 0.007 | 95.19 | 0.03 | 95.14 | 0.03 | 113.9 | 0.04 | 1,173.5 | 1 | 292 | null | null | null | null | null | null | null | évaporation d'une solution dans l'éthanol | 5 | P -1 | -P 1 | 2 | - C21 H40 Br N O - | - C21 H40 Br N O - | - C42 H80 Br2 N2 O2 - | 2 | 1 | PA1146 | Rodier, N.; Dugué, J.; Céolin, R.; Baziard-Mouysset, G.; Stigliani, J.-L.; Payard, M. | Bromure de Benzododécinium Monohydraté | Acta Crystallographica Section C | 1,995 | 51 | 5 | 954 | 956 | 10.1107/S0108270194014435 | 0.71073 | MoKα | null | 0.068 | null | null | 0.056 | null | null | null | null | 1.67 | 1.67 | null | null | null | has coordinates | Rodier, N.; Dugué, J.; Céolin, R.; Baziard-Mouysset, G.; Stigliani, J.-L.; Payard, M.
Bromure de Benzododécinium Monohydraté
Acta Crystallographica Section C
51(5)
(1995)
954-956 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
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2,003,503 | 10.207 | 0.008 | 26.978 | 0.012 | 8.744 | 0.006 | 90 | null | 106.96 | 0.03 | 90 | null | 2,303 | 3 | 293 | null | 293 | null | null | null | null | null | synthèse | 5 | P 1 21/c 1 | -P 2ybc | 14 | Ethyl 3-(4-chlorophényl)-3a-méthyl- 5-phényl-3,3a,4,11-tétrahydro-3H-[1,2,4] triazolo [4,3-a] [1,5] benzodiazépine | - C26 H23 Cl N4 O2 - | - C26 H23 Cl N4 O2 - | - C104 H92 Cl4 N16 O8 - | 4 | 1 | PA1148 | Chiaroni, A.; Riche, C.; Baouid, A.; Benharref, A.; Hasnaoui, A.; Lavergne, J.-P. | Ethyl 3-(4-Chlorophényl)-3a-méthyl-5-phényl-3,3a,4,11-tétrahydro-3<i>H</i>-[1,2,4]triazolo[4,3-<i>a</i>][1,5]benzodiazépine-1-carboxylate, C~26~H~23~ClN~4~O~2~ | Acta Crystallographica Section C | 1,995 | 51 | 5 | 961 | 963 | 10.1107/S0108270194011418 | 1.5418 | CuKα | null | 0.06 | null | null | 0.059 | null | null | null | null | 1.99 | 1.99 | null | null | null | has coordinates | Chiaroni, A.; Riche, C.; Baouid, A.; Benharref, A.; Hasnaoui, A.; Lavergne, J.-P.
Ethyl 3-(4-Chlorophényl)-3a-méthyl-5-phényl-3,3a,4,11-tétrahydro-3<i>H</i>-[1,2,4]triazolo[4,3-<i>a</i>][1,5]benzodiazépine-1-carboxylate, C~26~H~23~ClN~4~O~2~
Acta Crystallographica Section C
51(5)
(1995)
961-963 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
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2,003,504 | 20.709 | 0.003 | 7.777 | 0.0014 | 17.276 | 0.003 | 90 | null | 143.279 | 0.005 | 90 | null | 1,663.6 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | Lab. of Medicinal Chemistry, Liège | 5 | C 1 c 1 | C -2yc | 9 | 3-methyl-4H-pyrido[3,2-e][1,2,4]thiadiazine 1,1-dioxide | - C7 H7 N3 O2 S - | - C7 H7 N3 O2 S - | - C56 H56 N24 O16 S8 - | 8 | 2 | PA1150 | Dupont, L.; Pirotte, B.; de Tullio, P.; Masereel, B.; Delarge, J. | 3-Methyl-4<i>H</i>-pyrido[3,2-<i>e</i>][1,2,4]thiadiazine 1,1-Dioxide | Acta Crystallographica Section C | 1,995 | 51 | 5 | 944 | 946 | 10.1107/S0108270194013569 | 1.5418 | CuKα | 0.0274 | 0.0268 | null | 0.0693 | 0.0691 | null | null | null | 1.108 | 1.117 | 1.117 | null | null | null | has coordinates | Dupont, L.; Pirotte, B.; de Tullio, P.; Masereel, B.; Delarge, J.
3-Methyl-4<i>H</i>-pyrido[3,2-<i>e</i>][1,2,4]thiadiazine 1,1-Dioxide
Acta Crystallographica Section C
51(5)
(1995)
944-946 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,003,505 | 7.491 | 0.001 | 12.188 | 0.002 | 15.744 | 0.003 | 90 | null | 97.95 | 0.01 | 90 | null | 1,423.6 | 0.4 | 293 | null | null | null | null | null | null | null | Kristallisation (CH~3~OH) | 3 | P 1 21 1 | P 2yb | 4 | - C31 H44 O7 - | - C31 H44 O7 - | - C62 H88 O14 - | 2 | 1 | SE1056 | Gzella, A.; Wrzeciono, U.; Zaprutko, L. | Triterpenoide. VII. Über die Struktur von neuen 2-oxa- und 1,2-seco-Derivaten des Olenanolsäuremethylesters | Acta Crystallographica Section C | 1,995 | 51 | 5 | 908 | 912 | 10.1107/S010827019400973X | 1.54178 | CuKα | null | 0.044 | null | null | 0.05 | null | null | null | null | 5.2148 | 5.2148 | null | null | null | has coordinates | Gzella, A.; Wrzeciono, U.; Zaprutko, L.
Triterpenoide. VII. Über die Struktur von neuen 2-oxa- und 1,2-seco-Derivaten des Olenanolsäuremethylesters
Acta Crystallographica Section C
51(5)
(1995)
908-912 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
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2,003,506 | 7.709 | 0.001 | 18.293 | 0.002 | 21.082 | 0.003 | 90 | null | 90 | null | 90 | null | 2,973 | 0.7 | 293 | null | null | null | null | null | null | null | Kristallisation (CH~3~OH) | 3 | P 21 21 21 | P 2ac 2ab | 19 | - C32 H46 O7 - | - C32 H46 O7 - | - C128 H184 O28 - | 4 | 1 | SE1056 | Gzella, A.; Wrzeciono, U.; Zaprutko, L. | Triterpenoide. VII. Über die Struktur von neuen 2-oxa- und 1,2-seco-Derivaten des Olenanolsäuremethylesters | Acta Crystallographica Section C | 1,995 | 51 | 5 | 908 | 912 | 10.1107/S010827019400973X | 1.54178 | CuKα | null | 0.05 | null | null | 0.046 | null | null | null | null | 3.8027 | 3.8027 | null | null | null | has coordinates | Gzella, A.; Wrzeciono, U.; Zaprutko, L.
Triterpenoide. VII. Über die Struktur von neuen 2-oxa- und 1,2-seco-Derivaten des Olenanolsäuremethylesters
Acta Crystallographica Section C
51(5)
(1995)
908-912 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,003,507 | 10.197 | 0.007 | 10.623 | 0.001 | 20.08 | 0.003 | 90 | null | 101.53 | 0.02 | 90 | null | 2,131.2 | 1.5 | 293 | 2 | null | null | null | null | null | null | Synthese, Kristallisation aus CH~3~OH | 4 | C 1 c 1 | C -2yc | 9 | - C19 H21 N9 O7 - | - C19 H21 N9 O7 - | - C76 H84 N36 O28 - | 4 | 1 | SH1092 | Gzella, A.; Wrzeciono, U. | Azoles. 38. Struktur der Molekularverbindung von 3,5-Dinitroindazol, 5-Nitro-3-piperazinoindazol und Methanol | Acta Crystallographica Section C | 1,995 | 51 | 5 | 963 | 967 | 10.1107/S0108270194008954 | 1.54178 | CuKα | null | 0.0889 | null | null | 0.0947 | null | null | null | null | 1.8529 | 1.8529 | null | null | null | has coordinates | Gzella, A.; Wrzeciono, U.
Azoles. 38. Struktur der Molekularverbindung von 3,5-Dinitroindazol, 5-Nitro-3-piperazinoindazol und Methanol
Acta Crystallographica Section C
51(5)
(1995)
963-967 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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4,322,377 | 17.09 | 0.002 | 10.26 | 0.002 | 17.521 | 0.004 | 90 | null | 90 | null | 90 | null | 3,072.2 | 1 | 203 | 2 | 203 | 2 | null | null | null | null | 5 | P b c a | -P 2ac 2ab | 61 | compound 3 | - C22 H54 Al2 O2 Si2 - | - C22 H54 Al2 O2 Si2 - | - C88 H216 Al8 O8 Si8 - | 4 | 0.5 | Carsten Rennekamp; Helge Wessel; Herbert W. Roesky; Peter Müller; Hans-Georg Schmidt; Mathias Noltemeyer; Isabel Usón; Andrew R. Barron | An Alternative Approach to Al202 Ring Systems by Unexpected Cleavage of Stable Al-F- and Si-O- Bonds | Inorganic Chemistry | 1,999 | 38 | 5235 | 5240 | 10.1021/ic990185e | 0.71073 | MoKα | 0.1168 | 0.0725 | null | 0.1903 | 0.1388 | null | null | null | 1.062 | 1.051 | 1.051 | null | null | null | has coordinates | Carsten Rennekamp; Helge Wessel; Herbert W. Roesky; Peter Müller; Hans-Georg Schmidt; Mathias Noltemeyer; Isabel Usón; Andrew R. Barron
An Alternative Approach to Al202 Ring Systems by Unexpected Cleavage of Stable Al-F- and Si-O- Bonds
Inorganic Chemistry
38
(1999)
5235-5240 | 179,326 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,508 | 9.4 | 0.001 | 11.029 | 0.001 | 9.153 | 0.001 | 96.144 | 0.009 | 96.84 | 0.01 | 65.235 | 0.007 | 853.79 | 0.16 | 173 | 1 | 173 | null | null | null | null | null | see text | 3 | P 1 | P 1 | 1 | α,α-allo-trehalose trihydrate | α-D-allopyranosyl α-D-allopyranoside trihydrate | - C12 H28 O14 - | - C12 H28 O14 - | - C24 H56 O28 - | 2 | 2 | SH1108 | Linden, A.; Lee, C. K. | α,α-<i>allo</i>-Trehalose Trihydrate | Acta Crystallographica Section C | 1,995 | 51 | 5 | 1007 | 1012 | 10.1107/S0108270194012102 | 0.71069 | MoKα | 0.0285 | 0.027 | null | 0.0322 | 0.032 | null | null | null | null | 1.817 | 1.817 | null | null | null | has coordinates | Linden, A.; Lee, C. K.
α,α-<i>allo</i>-Trehalose Trihydrate
Acta Crystallographica Section C
51(5)
(1995)
1007-1012 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,003,509 | 7.3812 | 0.0011 | 8.4422 | 0.0009 | 12.42 | 0.0014 | 73.243 | 0.009 | 81.924 | 0.011 | 83.473 | 0.011 | 731.53 | 0.16 | 293 | 2 | 293 | 2 | null | null | null | null | from methanol | 6 | P -1 | -P 1 | 2 | Methyl N-(N'-4-chlorophenylaminothiocarbonyl) imidate | - C15 H13 Cl N2 O S - | - C15 H13 Cl N2 O S - | - C30 H26 Cl2 N4 O2 S2 - | 2 | 1 | TA1022 | Hajjem, B.; Jouini, T.; Harizi, A.; Baccar, B. | Methyl <i>N</i>-(4-Chlorophenylaminothiocarbonyl)benzimidate | Acta Crystallographica Section C | 1,995 | 51 | 5 | 920 | 922 | 10.1107/S0108270194011625 | 0.71069 | MoKα | 0.0491 | 0.0382 | null | 0.0869 | 0.0855 | null | null | null | 1.302 | 1.348 | 1.348 | null | null | null | has coordinates | Hajjem, B.; Jouini, T.; Harizi, A.; Baccar, B.
Methyl <i>N</i>-(4-Chlorophenylaminothiocarbonyl)benzimidate
Acta Crystallographica Section C
51(5)
(1995)
920-922 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
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2,003,510 | 14.203 | 0.006 | 14.203 | 0.006 | 22.447 | 0.004 | 90 | null | 90 | null | 90 | null | 4,528 | 3 | 293 | 2 | null | null | null | null | null | null | 6 | P 4/n c c :2 | -P 4a 2ac | 130 | - C12 H30 Cl2 Co2 N6 O14 - | - C12 H30 Cl2 Co2 N6 O20.5 - | - C96 H240 Cl16 Co16 N48 O164 - | 8 | 0.5 | AB1161 | Chen, M.-Q.; Liu, J.; Mao, Z.-W.; Hang, Q.-W.; Tang, W.-X. | Bis(diethylenetriamine-<i>N</i>'-acetato)-di-μ-hydroxo-dicobalt(III) Perchlorate | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1080 | 1082 | 10.1107/S0108270194013387 | 0.7093 | MoKα | null | 0.051 | null | null | 0.047 | null | null | null | null | 4.149 | 4.149 | null | null | null | has coordinates | Chen, M.-Q.; Liu, J.; Mao, Z.-W.; Hang, Q.-W.; Tang, W.-X.
Bis(diethylenetriamine-<i>N</i>'-acetato)-di-μ-hydroxo-dicobalt(III) Perchlorate
Acta Crystallographica Section C
51(6)
(1995)
1080-1082 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,003,511 | 5.978 | 0.002 | 4.945 | 0.002 | 20.168 | 0.004 | 90 | null | 95.8 | 0.03 | 90 | null | 593.1 | 0.3 | 296 | null | null | null | null | null | null | null | 5 | P 1 21 1 | P 2yb | 4 | - C13 H9 Br O S - | - C13 H9 Br O S - | - C26 H18 Br2 O2 S2 - | 2 | 1 | AB1178 | He, Y.; Wu, Q.; Su, G. | 3-(4-Bromophenyl)-1-(3-thienyl)-2-propen-1-one (BTC) | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1167 | 1168 | 10.1107/S0108270194013843 | 0.71069 | MoKα | null | 0.046 | null | null | 0.052 | null | null | null | null | 1.39 | 1.39 | null | null | null | has coordinates | He, Y.; Wu, Q.; Su, G.
3-(4-Bromophenyl)-1-(3-thienyl)-2-propen-1-one (BTC)
Acta Crystallographica Section C
51(6)
(1995)
1167-1168 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
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2,003,512 | 10.731 | 0.006 | 18.016 | 0.006 | 8.347 | 0.005 | 90 | null | 90 | null | 90 | null | 1,613.7 | 1.4 | 295 | null | null | null | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | - C18 H23 N O3 - | - C18 H23 N O3 - | - C72 H92 N4 O12 - | 4 | 1 | AB1186 | Urtiaga, M. K.; Arriortua, M. I.; Badía, D.; Domínguez, E.; González-Cameno, A. M.; Ochando, L.; Reventos, M.; Debaerdemaeker, T. | The Effect of Substituents on the Crystal Structure of β-Amino Alcohols. 2-[(3,4-Dimethoxybenzyl)(methyl)amino]-2-phenylethanol | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1175 | 1177 | 10.1107/S0108270194013855 | 0.71073 | MoKα | null | 0.052 | null | null | 0.15 | null | null | null | null | 0.998 | 0.998 | null | null | null | has coordinates | Urtiaga, M. K.; Arriortua, M. I.; Badía, D.; Domínguez, E.; González-Cameno, A. M.; Ochando, L.; Reventos, M.; Debaerdemaeker, T.
The Effect of Substituents on the Crystal Structure of β-Amino Alcohols. 2-[(3,4-Dimethoxybenzyl)(methyl)amino]-2-phenylethanol
Acta Crystallographica Section C
51(6)
(1995)
1175-1177 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
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2,003,513 | 9.668 | 0.002 | 8.358 | 0.002 | 25.582 | 0.009 | 90 | null | 98.26 | 0.03 | 90 | null | 2,045.7 | 1 | 289 | null | null | null | null | null | null | null | synthesis | 5 | P 1 21/n 1 | -P 2yn | 14 | - C21 H20 N8 Ni O2 - | - C21 H20 N8 Ni O2 - | - C84 H80 N32 Ni4 O8 - | 4 | 1 | AB1196 | Jian, P.; Wang, S.; Suo, J.; Wang, L.; Wu, Q. | Azido[2,6-bis(2-benzimidazolyl-<i>N</i>^3^)pyridine-<i>N</i>](methanol)(methanolato)nickel(II) | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1071 | 1073 | 10.1107/S0108270194011741 | 0.71073 | MoKα | null | 0.051 | null | null | 0.065 | null | null | null | null | 1.75 | 1.75 | null | null | null | has coordinates | Jian, P.; Wang, S.; Suo, J.; Wang, L.; Wu, Q.
Azido[2,6-bis(2-benzimidazolyl-<i>N</i>^3^)pyridine-<i>N</i>](methanol)(methanolato)nickel(II)
Acta Crystallographica Section C
51(6)
(1995)
1071-1073 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
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2,003,514 | 10.809 | 0.001 | 8.4044 | 0.0009 | 21.119 | 0.003 | 90 | null | 96.63 | 0.01 | 90 | null | 1,905.7 | 0.4 | 296 | null | null | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C15 H22 Cu N8 O8 - | - C15 H22 Cu N8 O8 - | - C60 H88 Cu4 N32 O32 - | 4 | 1 | AB1203 | Kivekäs, R.; Klinga, M.; Colacio, E.; Dominguez-Vera, J. M.; Romerosa, A. | Aqua[1,3-propanediyldiiminobis(1,3-dimethyl-5-nitrosouracilato)-κ^4^<i>N</i>^5^,<i>N</i>^6^,<i>N</i>^15^,<i>N</i>^16^]copper(II) Monohydrate | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1087 | 1089 | 10.1107/S0108270194013697 | 0.71073 | MoKα | null | 0.04 | null | null | 0.036 | null | null | null | null | 2.064 | 2.064 | null | null | null | has coordinates | Kivekäs, R.; Klinga, M.; Colacio, E.; Dominguez-Vera, J. M.; Romerosa, A.
Aqua[1,3-propanediyldiiminobis(1,3-dimethyl-5-nitrosouracilato)-κ^4^<i>N</i>^5^,<i>N</i>^6^,<i>N</i>^15^,<i>N</i>^16^]copper(II) Monohydrate
Acta Crystallographica Section C
51(6)
(1995)
1087-1089 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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2,003,515 | 8.014 | 0.002 | 8.633 | 0.002 | 12.6 | 0.003 | 90 | null | 90.53 | 0.03 | 90 | null | 871.7 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21 1 | P 2yb | 4 | 11,12-seco-12,13-didehydromultiflorine perchlorate hydrate | - C15 H25 Cl N2 O6 - | - C15 H25.07 Cl N2 O6 - | - C30 H50.14 Cl2 N4 O12 - | 2 | 1 | AB1207 | Dutkiewicz, G.; Kubicki, M.; Borowiak, T.; Wysocka, W. | 11,12-Seco-12,13-didehydromultiflorine Perchlorate Hydrate | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1182 | 1184 | 10.1107/S0108270194011650 | 1.54178 | CuKα | 0.0577 | 0.036 | null | 0.1741 | 0.1069 | null | null | null | 1.076 | 1.118 | 1.118 | null | null | null | has coordinates,has disorder | Dutkiewicz, G.; Kubicki, M.; Borowiak, T.; Wysocka, W.
11,12-Seco-12,13-didehydromultiflorine Perchlorate Hydrate
Acta Crystallographica Section C
51(6)
(1995)
1182-1184 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/35/2003515.cif $
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2,003,516 | 6.116 | 0.002 | 16.656 | 0.004 | 6.007 | 0.003 | 99.29 | 0.03 | 100.94 | 0.03 | 99.05 | 0.02 | 581.7 | 0.4 | 243 | null | null | null | null | null | null | null | 5 | P 1 | P 1 | 1 | - C5 H18 N Na O9 - | - C5 H17.5 N Na O9 - | - C10 H35 N2 Na2 O18 - | 2 | 2 | AS1110 | Kashiwagi, T.; Sano, C.; Kawakita, T.; Nagashima, N. | Monosodium <small>L</small>-Glutamate Pentahydrate | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1053 | 1056 | 10.1107/S0108270194014472 | 1.5418 | CuKα | null | 0.056 | null | null | 0.076 | null | null | null | null | 3.06 | 3.06 | null | null | null | has coordinates | Kashiwagi, T.; Sano, C.; Kawakita, T.; Nagashima, N.
Monosodium <small>L</small>-Glutamate Pentahydrate
Acta Crystallographica Section C
51(6)
(1995)
1053-1056 | 190,394 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-01-11 13:54:23 +0200 (Wed, 11 Jan 2017) $
#$Revision: 190394 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/35/2003516.cif $
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2,003,517 | 8.6917 | 0.0007 | 11.576 | 0.001 | 15.006 | 0.003 | 110.1 | 0.02 | 103.8 | 0.01 | 91.465 | 0.009 | 1,367.3 | 0.4 | 298 | 3 | null | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C14 H36 N4 O2 - | - C14 H32 N4 O2 - | - C42 H96 N12 O6 - | 3 | 1.5 | AS1126 | Tahirov, T. H.; Lu, T.-H.; Liu, G.-S.; Chi, T.-Y.; Chung, C.-S. | Two Isomers of 5,7,12,14-Tetramethyl-1,4,8,11-tetraazacyclotetradecane | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1146 | 1148 | 10.1107/S0108270194011352 | 0.71073 | MoKα | null | 0.051 | null | null | 0.068 | null | null | null | null | 1.21 | 1.21 | null | null | null | has coordinates | Tahirov, T. H.; Lu, T.-H.; Liu, G.-S.; Chi, T.-Y.; Chung, C.-S.
Two Isomers of 5,7,12,14-Tetramethyl-1,4,8,11-tetraazacyclotetradecane
Acta Crystallographica Section C
51(6)
(1995)
1146-1148 | 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/2/00/35/2003517.cif $
#-------------------------------------------------------------------... | |||||||||||
2,003,518 | 8.96 | 0.004 | 11.507 | 0.006 | 8.889 | 0.007 | 97.29 | 0.05 | 97.71 | 0.05 | 105.58 | 0.03 | 862 | 0.9 | 296 | 2 | 296 | 2 | null | null | null | null | 3 | P -1 | -P 1 | 2 | Spiro[(4',4'-dimethyl-2',6'-dioxa-cyclohexane)- 1',3-(trans-4-methylene-bicyclo[3.3.0]octane)]-2,2-dimethylcarboxylate Spiro[(4',4'-dimethyl-2',6'-dioxa-cyclohexane)- 1',3-(cis-4-methylene-bicyclo[3.3.0]octane)]-2,2-dimethylcarboxylate | - C18 H26 O6 - | - C18 H26 O6 - | - C36 H52 O12 - | 2 | 1 | AS1138 | Yamada, T.; Uekusa, H.; Ohashi, Y.; Yamago, S.; Wang, X. Q.; Nakamura, E. | <i>cis</i>- and <i>trans</i>-Dimethyl Spiro[(4',4'-dimethyl-2',6'-dioxacyclohexane)-1',3-(4-methylenebicyclo[3.3.0]octane)]-2,2-dicarboxylate | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1137 | 1139 | 10.1107/S010827019401276X | 0.71073 | MoKα | 0.147 | 0.061 | null | 0.198 | 0.154 | null | null | null | 1.015 | 1.109 | 1.109 | null | null | null | has coordinates,has disorder | Yamada, T.; Uekusa, H.; Ohashi, Y.; Yamago, S.; Wang, X. Q.; Nakamura, E.
<i>cis</i>- and <i>trans</i>-Dimethyl Spiro[(4',4'-dimethyl-2',6'-dioxacyclohexane)-1',3-(4-methylenebicyclo[3.3.0]octane)]-2,2-dicarboxylate
Acta Crystallographica Section C
51(6)
(1995)
1137-1139 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$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/2/00/35/2003518.cif $
#-------------------------------------------------------------------... | ||||||||||
4,322,376 | 12.173 | 0.002 | 13.319 | 0.003 | 20.512 | 0.004 | 90 | null | 90 | null | 90 | null | 3,325.7 | 1.1 | 200 | 2 | 200 | 2 | null | null | null | null | 5 | P 21 21 21 | P 2ac 2ab | 19 | compound 2 | - C26 H44 Al2 F2 O14 - | - C26 H44 Al2 F2 O14 - | - C104 H176 Al8 F8 O56 - | 4 | 1 | Carsten Rennekamp; Helge Wessel; Herbert W. Roesky; Peter Müller; Hans-Georg Schmidt; Mathias Noltemeyer; Isabel Usón; Andrew R. Barron | An Alternative Approach to Al202 Ring Systems by Unexpected Cleavage of Stable Al-F- and Si-O- Bonds | Inorganic Chemistry | 1,999 | 38 | 5235 | 5240 | 10.1021/ic990185e | 0.71073 | MoKα | 0.0839 | 0.0657 | null | 0.1807 | 0.1623 | null | null | null | 1.076 | 1.104 | 1.104 | null | null | null | has coordinates | Carsten Rennekamp; Helge Wessel; Herbert W. Roesky; Peter Müller; Hans-Georg Schmidt; Mathias Noltemeyer; Isabel Usón; Andrew R. Barron
An Alternative Approach to Al202 Ring Systems by Unexpected Cleavage of Stable Al-F- and Si-O- Bonds
Inorganic Chemistry
38
(1999)
5235-5240 | 179,326 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-23 15:24:39 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179326 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/23/4322376.cif $
#-------------------------------------------------------------------... | ||||||||||||
2,003,519 | 9.4915 | 0.0011 | 11.5618 | 0.0014 | 8.9687 | 0.0009 | 98.806 | 0.009 | 99.065 | 0.009 | 112.364 | 0.009 | 874.02 | 0.19 | 296 | 2 | 296 | 2 | null | null | null | null | 3 | P -1 | -P 1 | 2 | Spiro[(4',4'-dimethyl-2',6'-dioxa-cyclohexane)- 1',3-(cis-4-methylene-bicyclo[3.3.0]octane)]-2,2-dimethylcarboxylate | - C18 H26 O6 - | - C18 H26 O6 - | - C36 H52 O12 - | 2 | 1 | AS1138 | Yamada, T.; Uekusa, H.; Ohashi, Y.; Yamago, S.; Wang, X. Q.; Nakamura, E. | <i>cis</i>- and <i>trans</i>-Dimethyl Spiro[(4',4'-dimethyl-2',6'-dioxacyclohexane)-1',3-(4-methylenebicyclo[3.3.0]octane)]-2,2-dicarboxylate | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1137 | 1139 | 10.1107/S010827019401276X | 0.71073 | MoKα | 0.123 | 0.054 | null | 0.159 | 0.129 | null | null | null | 1.01 | 1.129 | 1.129 | null | null | null | has coordinates | Yamada, T.; Uekusa, H.; Ohashi, Y.; Yamago, S.; Wang, X. Q.; Nakamura, E.
<i>cis</i>- and <i>trans</i>-Dimethyl Spiro[(4',4'-dimethyl-2',6'-dioxacyclohexane)-1',3-(4-methylenebicyclo[3.3.0]octane)]-2,2-dicarboxylate
Acta Crystallographica Section C
51(6)
(1995)
1137-1139 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$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/2/00/35/2003519.cif $
#-------------------------------------------------------------------... | ||||||||||
2,003,520 | 4.653 | 0.0004 | 15.191 | 0.001 | 26.902 | 0.002 | 90 | null | 90 | null | 90 | null | 1,901.5 | 0.2 | 293 | 2 | 293 | 2 | null | null | null | null | synthesized from CH~2~Cl~2~--benzene system | 4 | P b c 21 | P 2c -2b | 29 | 10-Hydroxybenzo[h]quinoline | - C13 H9 N O - | - C13 H9 N O - | - C104 H72 N8 O8 - | 8 | 2 | AS1144 | Kubicki, M.; Borowiak, T.; Antkowiak, W. Z. | 10-Hydroxybenzo[<i>h</i>]quinoline | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1173 | 1175 | 10.1107/S010827019401379X | 1.54178 | CuKα | 0.0559 | 0.0383 | null | 0.1128 | 0.0767 | null | null | null | 1.213 | 1.26 | 1.26 | null | null | null | has coordinates | Kubicki, M.; Borowiak, T.; Antkowiak, W. Z.
10-Hydroxybenzo[<i>h</i>]quinoline
Acta Crystallographica Section C
51(6)
(1995)
1173-1175 | 201,955 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-10-13 03:08:28 +0300 (Fri, 13 Oct 2017) $
#$Revision: 201955 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/35/2003520.cif $
#-------------------------------------------------------------------... | |||||||||
2,003,521 | 15.037 | 0.003 | 9.913 | 0.001 | 12.547 | 0.002 | 90 | null | 91.29 | 0.01 | 90 | null | 1,869.8 | 0.5 | 296 | null | 296 | null | null | null | null | null | 4 | C 1 c 1 | C -2yc | 9 | 2-bromo-2,3-dihydro-2,3-(bibenzyl-2,2'-diyl)methano-1,4-naphthoquinone | - C25 H17 Br O2 - | - C25 H17 Br O2 - | - C100 H68 Br4 O8 - | 4 | 1 | AS1150 | Tamura, H.; Oshima, T.; Matsubayashi, G.; Nagai, T. | Two Conformational Isomers of 2-Bromo-2,3-dihydro-2,3-(bibenzyl-2,2'-diyl)methano-1,4-naphthoquinone | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1148 | 1152 | 10.1107/S0108270194013806 | 0.7107 | MoKα | null | 0.035 | null | null | 0.035 | null | null | null | null | 1.35 | 1.35 | null | null | null | has coordinates | Tamura, H.; Oshima, T.; Matsubayashi, G.; Nagai, T.
Two Conformational Isomers of 2-Bromo-2,3-dihydro-2,3-(bibenzyl-2,2'-diyl)methano-1,4-naphthoquinone
Acta Crystallographica Section C
51(6)
(1995)
1148-1152 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$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/2/00/35/2003521.cif $
#-------------------------------------------------------------------... | ||||||||||
2,003,522 | 9.165 | 0.001 | 13.155 | 0.001 | 8.85 | 0.001 | 101.58 | 0.01 | 116.59 | 0.01 | 80.77 | 0.01 | 931.69 | 0.18 | 296 | null | 296 | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | 2-bromo-2,3-dihydro-2,3-(bibenzyl)methano-1,4-naphthoquinone | - C25 H17 Br O2 - | - C25 H17 Br O2 - | - C50 H34 Br2 O4 - | 2 | 1 | AS1150 | Tamura, H.; Oshima, T.; Matsubayashi, G.; Nagai, T. | Two Conformational Isomers of 2-Bromo-2,3-dihydro-2,3-(bibenzyl-2,2'-diyl)methano-1,4-naphthoquinone | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1148 | 1152 | 10.1107/S0108270194013806 | 0.7107 | MoKα | null | 0.037 | null | null | 0.04 | null | null | null | null | 1.48 | 1.48 | null | null | null | has coordinates | Tamura, H.; Oshima, T.; Matsubayashi, G.; Nagai, T.
Two Conformational Isomers of 2-Bromo-2,3-dihydro-2,3-(bibenzyl-2,2'-diyl)methano-1,4-naphthoquinone
Acta Crystallographica Section C
51(6)
(1995)
1148-1152 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$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/2/00/35/2003522.cif $
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2,003,523 | 11.9111 | 0.001 | 16.036 | 0.002 | 13.1202 | 0.0009 | 90 | null | 93.761 | 0.006 | 90 | null | 2,500.6 | 0.4 | 296 | null | null | null | null | null | null | null | Recrystallization fron ethyl acetate-heptane | 4 | P 1 21/n 1 | -P 2yn | 14 | - C25 H32 O6 P2 - | - C25 H32 O6 P2 - | - C100 H128 O24 P8 - | 4 | 1 | BK1023 | Elnagar, H. Y.; Layman, W. J.; Fronczek, F. R. | [4,4',6,6'-Tetramethyl-(2,2'-isobutylidenedi-<i>o</i>-phenylene)] (2,6,7-Trioxa-1-phosphabicyclo[2.2.2]oct-4-ylmethyl) Phosphite, C~25~H~32~P~2~O~6~ | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1177 | 1179 | 10.1107/S0108270194011169 | 1.54184 | CuKα | null | 0.046 | null | null | 0.056 | null | null | null | null | 2.762 | 2.762 | null | null | null | has coordinates | Elnagar, H. Y.; Layman, W. J.; Fronczek, F. R.
[4,4',6,6'-Tetramethyl-(2,2'-isobutylidenedi-<i>o</i>-phenylene)] (2,6,7-Trioxa-1-phosphabicyclo[2.2.2]oct-4-ylmethyl) Phosphite, C~25~H~32~P~2~O~6~
Acta Crystallographica Section C
51(6)
(1995)
1177-1179 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$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/2/00/35/2003523.cif $
#-------------------------------------------------------------------... | ||||||||||
2,003,524 | 6.418 | 0.001 | 15.864 | 0.003 | 12.269 | 0.002 | 90 | null | 102.38 | 0.01 | 90 | null | 1,220.1 | 0.4 | 296 | null | null | null | null | null | null | null | Prepared by authors | 5 | P 1 21/n 1 | -P 2yn | 14 | - C10 H20 Cl N O3 - | - C10 H20 Cl N O3 - | - C40 H80 Cl4 N4 O12 - | 4 | 1 | BK1049 | Brouillette, W. J.; Gray, G. M.; Saeed, A. | Conformationally Defined Cyclohexyl Carnitine Analogs | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1160 | 1164 | 10.1107/S0108270194010322 | 1.5418 | CuKα | null | 0.0507 | null | null | 0.0712 | null | null | null | null | 2.172 | 2.172 | null | null | null | has coordinates | Brouillette, W. J.; Gray, G. M.; Saeed, A.
Conformationally Defined Cyclohexyl Carnitine Analogs
Acta Crystallographica Section C
51(6)
(1995)
1160-1164 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$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/2/00/35/2003524.cif $
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2,003,525 | 12.39 | 0.001 | 8.245 | 0.002 | 13.732 | 0.001 | 90 | null | 121.543 | 0.009 | 90 | null | 1,195.5 | 0.3 | 295 | null | null | null | null | null | null | null | Prepared by authors | 5 | C 1 c 1 | C -2yc | 9 | - C10 H20 Cl N O3 - | - C10 H20 Cl N O3 - | - C40 H80 Cl4 N4 O12 - | 4 | 1 | BK1049 | Brouillette, W. J.; Gray, G. M.; Saeed, A. | Conformationally Defined Cyclohexyl Carnitine Analogs | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1160 | 1164 | 10.1107/S0108270194010322 | 1.5418 | CuKα | null | 0.025 | null | null | 0.0332 | null | null | null | null | 1.415 | 1.415 | null | null | null | has coordinates | Brouillette, W. J.; Gray, G. M.; Saeed, A.
Conformationally Defined Cyclohexyl Carnitine Analogs
Acta Crystallographica Section C
51(6)
(1995)
1160-1164 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$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/2/00/35/2003525.cif $
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2,003,526 | 7.123 | 0.002 | 11.237 | 0.002 | 14.989 | 0.001 | 90 | null | 90 | null | 90 | null | 1,199.7 | 0.4 | 296 | null | null | null | null | null | null | null | Prepared by authors | 5 | P 21 21 21 | P 2ac 2ab | 19 | - C10 H20 Cl N O3 - | - C10 H20 Cl N O3 - | - C40 H80 Cl4 N4 O12 - | 4 | 1 | BK1049 | Brouillette, W. J.; Gray, G. M.; Saeed, A. | Conformationally Defined Cyclohexyl Carnitine Analogs | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1160 | 1164 | 10.1107/S0108270194010322 | 1.5418 | CuKα | null | 0.03 | null | null | 0.041 | null | null | null | null | 1.92 | 1.92 | null | null | null | has coordinates | Brouillette, W. J.; Gray, G. M.; Saeed, A.
Conformationally Defined Cyclohexyl Carnitine Analogs
Acta Crystallographica Section C
51(6)
(1995)
1160-1164 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$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/2/00/35/2003526.cif $
#-------------------------------------------------------------------... | ||||||||||
4,322,375 | 10.05 | 0.002 | 23.111 | 0.005 | 16.234 | 0.003 | 90 | null | 97.13 | 0.03 | 90 | null | 3,741.4 | 1.3 | 133 | 2 | 133 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C76 H114 Al4 F2 O6 - | - C76 H114 Al4 F2 O6 - | - C152 H228 Al8 F4 O12 - | 2 | 0.5 | Carsten Rennekamp; Helge Wessel; Herbert W. Roesky; Peter Müller; Hans-Georg Schmidt; Mathias Noltemeyer; Isabel Usón; Andrew R. Barron | An Alternative Approach to Al202 Ring Systems by Unexpected Cleavage of Stable Al-F- and Si-O- Bonds | Inorganic Chemistry | 1,999 | 38 | 5235 | 5240 | 10.1021/ic990185e | 0.71073 | MoKα | 0.0895 | 0.0642 | null | null | 0.1227 | 0.1327 | null | null | null | null | null | 1.144 | null | null | has coordinates | Carsten Rennekamp; Helge Wessel; Herbert W. Roesky; Peter Müller; Hans-Georg Schmidt; Mathias Noltemeyer; Isabel Usón; Andrew R. Barron
An Alternative Approach to Al202 Ring Systems by Unexpected Cleavage of Stable Al-F- and Si-O- Bonds
Inorganic Chemistry
38
(1999)
5235-5240 | 179,326 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-23 15:24:39 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179326 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/23/4322375.cif $
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2,003,527 | 6.137 | 0.001 | 19.405 | 0.002 | 7.187 | 0.001 | 90 | null | 104.72 | 0.01 | 90 | null | 827.8 | 0.2 | 296 | null | null | null | null | null | null | null | 5 | P 1 21/a 1 | -P 2yab | 14 | - C8 H6 N2 O2 S - | - C8 H6 N2 O2 S - | - C32 H24 N8 O8 S4 - | 4 | 1 | BK1050 | Gallucci, J. C.; Mathur, N.; Shechter, H. | (<i>Z</i>)-5-(2-Thienylmethylene)-2,4-imidazolidinedione | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1221 | 1223 | 10.1107/S0108270194014137 | 0.71069 | MoKα | null | 0.041 | null | null | 0.046 | null | null | null | null | 1.65 | 1.65 | null | null | null | has coordinates,has disorder | Gallucci, J. C.; Mathur, N.; Shechter, H.
(<i>Z</i>)-5-(2-Thienylmethylene)-2,4-imidazolidinedione
Acta Crystallographica Section C
51(6)
(1995)
1221-1223 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$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/2/00/35/2003527.cif $
#-------------------------------------------------------------------... | |||||||||||
2,003,528 | 13.256 | 0.002 | 8.644 | 0.003 | 13.484 | 0.002 | 90 | null | 103.23 | 0.01 | 90 | null | 1,504.1 | 0.6 | 295 | 1 | 295 | 1 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | - C13 H8 O6 Ru2 - | - C13 H8 O6 Ru2 - | - C52 H32 O24 Ru8 - | 4 | 1 | BK1081 | Capparelli, M. V.; De Sanctis, Y.; Arce, A. J. | Hexacarbonyl-1κ^4^<i>C</i>,2κ^2^<i>C</i>-[μ-1κ<i>C</i>^6^:2(η^5^)-6-methylfulvene]diruthenium(<i>Ru</i>—<i>Ru</i>), [Ru~2~(C~5~H~4~CHCH~3~)(CO)~6~] | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1118 | 1120 | 10.1107/S0108270194012928 | 0.7107 | MoKα | null | 0.0368 | null | null | 0.0367 | null | null | null | null | 1.962 | 1.962 | null | null | null | has coordinates | Capparelli, M. V.; De Sanctis, Y.; Arce, A. J.
Hexacarbonyl-1κ^4^<i>C</i>,2κ^2^<i>C</i>-[μ-1κ<i>C</i>^6^:2(η^5^)-6-methylfulvene]diruthenium(<i>Ru</i>—<i>Ru</i>), [Ru~2~(C~5~H~4~CHCH~3~)(CO)~6~]
Acta Crystallographica Section C
51(6)
(1995)
1118-1120 | 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/2/00/35/2003528.cif $
#-------------------------------------------------------------------... | |||||||||||
2,003,529 | 7.146 | 0.001 | 8.635 | 0.003 | 25.5 | 0.004 | 90 | null | 90 | null | 90 | null | 1,573.5 | 0.6 | 293 | 2 | 293 | 2 | null | null | null | null | crystallized from ethyl alcohol | 3 | P 21 21 21 | P 2ac 2ab | 19 | 2-cyano-2-methylsparteine | - C17 H27 N3 - | - C17 H27 N3 - | - C68 H108 N12 - | 4 | 1 | BK1085 | Wolska, I.; Borowiak, T. | 2-Cyano-2-methylsparteine | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1158 | 1160 | 10.1107/S0108270194013740 | 0.71073 | MoKα | 0.0739 | 0.0311 | null | 0.1161 | 0.0913 | null | null | null | 1.088 | 1.197 | 1.197 | null | null | null | has coordinates | Wolska, I.; Borowiak, T.
2-Cyano-2-methylsparteine
Acta Crystallographica Section C
51(6)
(1995)
1158-1160 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,003,530 | 10.9538 | 0.0006 | 11.1908 | 0.0008 | 10.77 | 0.005 | 90 | null | 111.21 | 0.16 | 90 | null | 1,230.8 | 1.5 | 295 | null | null | null | null | null | null | null | 3 | C 1 2/c 1 | -C 2yc | 15 | - C12 H20 Pt2 - | - C12 H20 Pt2 - | - C48 H80 Pt8 - | 4 | 0.5 | BK1101 | Doyle, J. R.; Baenziger, N. C. | μ-(1,2,5,6-η:3,4,7,8-η)-1,3,5,7-Cyclooctatetraene-bis[dimethylplatinum(II)] | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1116 | 1118 | 10.1107/S0108270194014149 | 0.71073 | MoKα(intensities),CuKα~1~andCuKα~2~ | null | 0.047 | null | null | 0.073 | null | null | null | null | 1.24 | 1.24 | null | null | null | has coordinates | Doyle, J. R.; Baenziger, N. C.
μ-(1,2,5,6-η:3,4,7,8-η)-1,3,5,7-Cyclooctatetraene-bis[dimethylplatinum(II)]
Acta Crystallographica Section C
51(6)
(1995)
1116-1118 | 198,855 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,531 | 7.288 | 0.001 | 7.514 | 0.001 | 15.441 | 0.001 | 90.08 | 0.01 | 95.9 | 0.01 | 90.45 | 0.01 | 841.07 | 0.17 | 292 | null | 292 | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | Barium perrhenate hydrate | - Ba H2 O9 Re2 - | - Ba H2 O9 Re2 - | - Ba4 H8 O36 Re8 - | 4 | 2 | BR1085 | Todorov, T.; Macícek, J. | Barium Perrhenate Monohydrate | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1034 | 1038 | 10.1107/S0108270194013909 | 0.71073 | MoKα | 0.068 | 0.053 | null | 0.062 | 0.062 | null | null | null | 2.65 | 2.678 | 2.678 | null | null | null | has coordinates | Todorov, T.; Macícek, J.
Barium Perrhenate Monohydrate
Acta Crystallographica Section C
51(6)
(1995)
1034-1038 | 190,396 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-01-11 14:50:15 +0200 (Wed, 11 Jan 2017) $
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2,003,532 | 8.374 | 0.002 | 9.935 | 0.002 | 11.139 | 0.002 | 87.84 | 0.02 | 88.13 | 0.02 | 80.61 | 0.02 | 913.3 | 0.3 | 290 | 2 | null | null | null | null | null | null | synthesized, recrystallized from EtOAc | 5 | P -1 | -P 1 | 2 | - C20 H23 Br N2 O2 - | - C20 H23 Br N2 O2 - | - C40 H46 Br2 N4 O4 - | 2 | 1 | CR1107 | Baughman, R. G.; Chang, S.-C.; Utecht, R. E.; Lewis, D. E. | Two Related Potent Antiviral Compounds: 3-Bromo-<i>N</i>-butyl-4-butylamino-1,8-naphthalenedicarboximide (1) and 4-Amino-3-bromo-<i>N</i>-butyl-1,8-naphthalenedicarboximide (2) | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1189 | 1193 | 10.1107/S0108270194011005 | 0.71073 | MoKα | null | 0.0379 | null | null | 0.0912 | null | null | null | null | 1.05 | 1.05 | null | null | null | has coordinates | Baughman, R. G.; Chang, S.-C.; Utecht, R. E.; Lewis, D. E.
Two Related Potent Antiviral Compounds: 3-Bromo-<i>N</i>-butyl-4-butylamino-1,8-naphthalenedicarboximide (1) and 4-Amino-3-bromo-<i>N</i>-butyl-1,8-naphthalenedicarboximide (2)
Acta Crystallographica Section C
51(6)
(1995)
1189-1193 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,003,533 | 4.514 | 0.002 | 24.87 | 0.01 | 13.054 | 0.004 | 90 | null | 97.41 | 0.03 | 90 | null | 1,453.2 | 1 | 288 | null | null | null | null | null | null | null | synthesized per article, recrystallized from mesi | 5 | C 1 c 1 | C -2yc | 9 | - C16 H15 Br N2 O2 - | - C16 H15 Br N2 O2 - | - C64 H60 Br4 N8 O8 - | 4 | 1 | CR1107 | Baughman, R. G.; Chang, S.-C.; Utecht, R. E.; Lewis, D. E. | Two Related Potent Antiviral Compounds: 3-Bromo-<i>N</i>-butyl-4-butylamino-1,8-naphthalenedicarboximide (1) and 4-Amino-3-bromo-<i>N</i>-butyl-1,8-naphthalenedicarboximide (2) | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1189 | 1193 | 10.1107/S0108270194011005 | 0.71073 | MoKα | null | 0.048 | null | null | 0.0951 | null | null | null | null | 0.972 | 0.972 | null | null | null | has coordinates | Baughman, R. G.; Chang, S.-C.; Utecht, R. E.; Lewis, D. E.
Two Related Potent Antiviral Compounds: 3-Bromo-<i>N</i>-butyl-4-butylamino-1,8-naphthalenedicarboximide (1) and 4-Amino-3-bromo-<i>N</i>-butyl-1,8-naphthalenedicarboximide (2)
Acta Crystallographica Section C
51(6)
(1995)
1189-1193 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,003,534 | 14.445 | 0.003 | 5.767 | 0.001 | 28.603 | 0.005 | 90 | null | 90.27 | 0.02 | 90 | null | 2,382.7 | 0.8 | 213.9 | null | 213.9 | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | 2-Nitrophenyl Phenoxyformate | - C13 H9 N O5 - | - C13 H9 N O5 - | - C104 H72 N8 O40 - | 8 | 2 | CR1151 | Bryant, Jnr, G. L.; King, Jnr, J. A. | 2-Nitrophenyl Phenoxyformate, C~13~H~9~NO~5~ | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1141 | 1143 | 10.1107/S0108270194010449 | 1.54178 | CopperKα | 0.0902 | 0.066 | null | 0.1007 | 0.087 | null | null | null | null | 0.91 | 0.91 | null | null | null | has coordinates | Bryant, Jnr, G. L.; King, Jnr, J. A.
2-Nitrophenyl Phenoxyformate, C~13~H~9~NO~5~
Acta Crystallographica Section C
51(6)
(1995)
1141-1143 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,003,535 | 11.796 | 0.008 | 7.629 | 0.004 | 15.719 | 0.005 | 90 | null | 92.65 | 0.04 | 90 | null | 1,413.1 | 1.3 | 296 | null | null | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | - C16 H10 Cr O4 - | - C16 H10 Cr O4 - | - C64 H40 Cr4 O16 - | 4 | 1 | CR1157 | Blake, J. L.; Cook, D. J.; Squattrito, P. J.; Howell, B. A. | (Benzobicyclooctatriene)tetracarbonylchromium | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1067 | 1069 | 10.1107/S0108270194013417 | 0.71073 | MoKα | null | 0.043 | null | null | 0.039 | null | null | null | null | 1.71 | 1.71 | null | null | null | has coordinates | Blake, J. L.; Cook, D. J.; Squattrito, P. J.; Howell, B. A.
(Benzobicyclooctatriene)tetracarbonylchromium
Acta Crystallographica Section C
51(6)
(1995)
1067-1069 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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2,003,536 | 9.193 | 0.009 | 4.89 | 0.004 | 7.162 | 0.007 | 90 | null | 90 | null | 90 | null | 322 | 0.5 | 233 | 2 | 233 | 2 | null | null | null | null | 2 | P n m a | -P 2ac 2n | 62 | - O5 P2 - | - O5 P2 - | - O20 P8 - | 4 | 0.5 | DU1085 | Stachel, D.; Svoboda, I.; Fuess, H. | Phosphorus Pentoxide at 233 K | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1049 | 1050 | 10.1107/S0108270194012126 | 0.71069 | MoKα | 0.085 | 0.039 | null | 0.0946 | 0.0831 | null | null | null | 1.04 | 1.117 | 1.117 | null | null | null | has coordinates | Stachel, D.; Svoboda, I.; Fuess, H.
Phosphorus Pentoxide at 233 K
Acta Crystallographica Section C
51(6)
(1995)
1049-1050 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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2,003,537 | 14.01 | 0.001 | 7.104 | 0.001 | 34.086 | 0.002 | 90 | null | 90 | null | 90 | null | 3,392.5 | 0.6 | 295 | null | 295 | null | null | null | null | null | synthesis (Yoneda, 1976) | 4 | P n a 21 | P 2c -2n | 33 | lumiflavine | Lumiflavinium (7,8,10-trimethylbenzo[g] pteridine-2,4(1H,3H)-dione) nitrate. | - C13 H14 N6 O8 - | - C13 H13 N6 O8 - | - C104 H104 N48 O64 - | 8 | 2 | DU1097 | Wouters, J.; Evrard, G.; Durant, F. | Lumiflavinium (7,8,10-Trimethylisoalloxazinium) Nitrate | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1223 | 1227 | 10.1107/S0108270194014265 | 1.5406 | CuKα | 0.079 | 0.054 | null | 0.063 | 0.052 | null | null | null | null | 2.05 | 2.05 | null | null | null | has coordinates | Wouters, J.; Evrard, G.; Durant, F.
Lumiflavinium (7,8,10-Trimethylisoalloxazinium) Nitrate
Acta Crystallographica Section C
51(6)
(1995)
1223-1227 | 198,601 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-07-10 18:33:26 +0300 (Mon, 10 Jul 2017) $
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2,003,538 | 22.9337 | 0.0005 | 5.8035 | 0.0006 | 13.7842 | 0.0006 | 90 | null | 106.816 | 0.004 | 90 | null | 1,756.2 | 0.2 | 293 | 2 | 293 | 2 | null | null | null | null | synth\`ese | 5 | C 1 2/c 1 | -C 2yc | 15 | Bis(paraphénolammonium) Diphosphate Monohydrate | - C12 H20 N2 O10 P2 - | - C12 H22 N2 O11 P2 - | - C48 H88 N8 O44 P8 - | 4 | 0.5 | DU1100 | Soumhi, E. H.; Jouini, T. | Bis(<i>para</i>-phénolammonium) Diphosphate Monohydrate | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1213 | 1215 | 10.1107/S0108270194011546 | 0.71069 | MoKα | 0.0545 | 0.0379 | null | 0.0984 | 0.0926 | null | null | null | 1.219 | 1.29 | 1.29 | null | null | null | has coordinates | Soumhi, E. H.; Jouini, T.
Bis(<i>para</i>-phénolammonium) Diphosphate Monohydrate
Acta Crystallographica Section C
51(6)
(1995)
1213-1215 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,003,539 | 9.375 | 0.001 | 8.019 | 0.001 | 11.135 | 0.002 | 90 | null | 100.73 | 0.01 | 90 | null | 822.5 | 0.2 | 299 | 2 | 293 | 2 | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | - Ni O11 P4 - | - Ni O11 P4 - | - Ni4 O44 P16 - | 4 | 1 | DU1102 | Olbertz, A.; Stachel, D.; Svoboda, I.; Fuess, H. | Nickel Ultraphosphate, NiP~4~O~11~ | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1047 | 1049 | 10.1107/S0108270194012680 | 0.71069 | MoKα | 0.064 | 0.0265 | null | 0.0683 | 0.0614 | null | null | null | 1.026 | 1.1 | 1.1 | null | null | null | has coordinates | Olbertz, A.; Stachel, D.; Svoboda, I.; Fuess, H.
Nickel Ultraphosphate, NiP~4~O~11~
Acta Crystallographica Section C
51(6)
(1995)
1047-1049 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,003,540 | 13.5737 | 0.0004 | 13.5737 | 0.0004 | 6.6624 | 0.0003 | 90 | null | 90 | null | 120 | null | 1,063.06 | 0.07 | 293 | null | null | null | null | null | null | null | see text | 4 | P -3 | -P 3 | 147 | - Ce K2 N6 O18 - | - Ce K2 N6 O18 - | - Ce3 K6 N18 O54 - | 3 | 0.5 | DU1103 | Guillou, N.; Louër, M.; Auffrédic, J. P.; Louër, D. | Two Polymorphic Forms of Ceric Potassium Nitrate, K~2~Ce(NO~3~)~6~ | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1029 | 1032 | 10.1107/S0108270194014927 | 0.71073 | MoKα | null | 0.045 | null | null | 0.051 | null | null | null | null | 1.7 | 1.7 | null | null | null | has coordinates | Guillou, N.; Louër, M.; Auffrédic, J. P.; Louër, D.
Two Polymorphic Forms of Ceric Potassium Nitrate, K~2~Ce(NO~3~)~6~
Acta Crystallographica Section C
51(6)
(1995)
1029-1032 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,003,541 | 12.707 | 0.004 | 6.6858 | 0.0006 | 8.2535 | 0.0007 | 90 | null | 91.547 | 0.008 | 90 | null | 700.9 | 0.2 | 293 | null | null | null | null | null | null | null | see text | 4 | P 1 21/n 1 | -P 2yn | 14 | - Ce K2 N6 O18 - | - Ce K2 N6 O18 - | - Ce2 K4 N12 O36 - | 2 | 0.5 | DU1103 | Guillou, N.; Louër, M.; Auffrédic, J. P.; Louër, D. | Two Polymorphic Forms of Ceric Potassium Nitrate, K~2~Ce(NO~3~)~6~ | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1029 | 1032 | 10.1107/S0108270194014927 | 0.71073 | MoKα | null | 0.042 | null | null | 0.061 | null | null | null | null | 2.2 | 2.2 | null | null | null | has coordinates | Guillou, N.; Louër, M.; Auffrédic, J. P.; Louër, D.
Two Polymorphic Forms of Ceric Potassium Nitrate, K~2~Ce(NO~3~)~6~
Acta Crystallographica Section C
51(6)
(1995)
1029-1032 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,003,542 | 13.5975 | 0.0008 | 13.5975 | 0.0008 | 13.5975 | 0.0008 | 90 | null | 90 | null | 90 | null | 2,514.1 | 0.3 | 293 | null | null | null | null | null | null | null | see text | 4 | P 41 3 2 | P 4bd 2ab 3 | 213 | - Ce2 K3 N9 O27 - | - Ce2 K3 N9 O27 - | - Ce8 K12 N36 O108 - | 4 | 0.166667 | DU1104 | Guillou, N.; Auffrédic, J. P.; Louër, D. | Cerous Potassium Nitrate, K~3~Ce~2~(NO~3~)~9~ | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1032 | 1034 | 10.1107/S0108270194014939 | 0.71073 | MoKα | null | 0.044 | null | null | 0.055 | null | null | null | null | 1.25 | 1.25 | null | null | null | has coordinates | Guillou, N.; Auffrédic, J. P.; Louër, D.
Cerous Potassium Nitrate, K~3~Ce~2~(NO~3~)~9~
Acta Crystallographica Section C
51(6)
(1995)
1032-1034 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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4,322,374 | 10.595 | 0.001 | 23.426 | 0.002 | 16.846 | 0.002 | 90 | null | 92.85 | 0.01 | 90 | null | 4,176 | 0.7 | 293 | 2 | 293 | 2 | null | null | null | null | 8 | P 1 21/n 1 | -P 2yn | 14 | - C40 H40 Cl2 I2 N3 P Ru S2 - | - C40 H40 Cl2 I2 N3 P Ru S2 - | - C160 H160 Cl8 I8 N12 P4 Ru4 S8 - | 4 | 1 | Dieter Sellmann; Jürgen Utz; Frank W. Heinemann | Transition Metal Complexes with Sulfur Ligands. 136.1 Enforced Trans Coordination of Thiolate Donors in Electron Rich Iron, Ruthenium, and Nickel [M(L)(pyN~2~H~2~S~2~)] and [M(L)(pyS~4~)] Complexes (L = CO, PPh~3~, DMSO) (pyN2H2S22-= 2,6-Bis(2-mercaptophenylamino)dimethylpyridine(2-); pyS4^2-^ = 2,6-Bis(2-mercaptopheny... | Inorganic Chemistry | 1,999 | 38 | 5314 | 5322 | 10.1021/ic990169h | 0.71073 | MoKα | 0.0847 | 0.0445 | null | 0.1199 | 0.1038 | null | null | null | 0.866 | 0.999 | 0.999 | null | null | null | has coordinates | Dieter Sellmann; Jürgen Utz; Frank W. Heinemann
Transition Metal Complexes with Sulfur Ligands. 136.1 Enforced Trans Coordination of Thiolate Donors in Electron Rich Iron, Ruthenium, and Nickel [M(L)(pyN~2~H~2~S~2~)] and [M(L)(pyS~4~)] Complexes (L = CO, PPh~3~, DMSO) (pyN2H2S22-= 2,6-Bis(2-mercaptophenylamino)dimethyl... | 179,326 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,543 | 10.232 | 0.003 | 14.964 | 0.007 | 6.826 | 0.004 | 93.81 | 0.04 | 98.02 | 0.03 | 104.37 | 0.03 | 997 | 0.8 | 295 | 1 | null | null | null | null | null | null | natural product crystallized from water | 4 | P 1 | P 1 | 1 | - C18 H29 N O7 - | - C18 H29 N O7 - | - C36 H58 N2 O14 - | 2 | 2 | FG1006 | Parvez, M.; Benn, M. H. | Senecivernine Dihydrate | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1202 | 1204 | 10.1107/S0108270194012904 | 0.71069 | MoKα | null | 0.0802 | null | null | 0.0804 | null | null | null | null | 3.43 | 3.43 | null | null | null | has coordinates | Parvez, M.; Benn, M. H.
Senecivernine Dihydrate
Acta Crystallographica Section C
51(6)
(1995)
1202-1204 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,003,544 | 14.739 | 0.004 | 9.029 | 0.001 | 14.269 | 0.004 | 90 | null | 115.95 | 0.01 | 90 | null | 1,707.4 | 0.7 | 293 | null | null | null | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | - C12 H16 Br2 Cu N8 - | - C12 H16 Br2 Cu N8 - | - C48 H64 Br8 Cu4 N32 - | 4 | 0.5 | FG1007 | Parker, O. J.; Breneman, G. L. | Tetrakis(imidazole)copper(II) Dibromide, [Cu(Him)~4~]Br~2~ | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1097 | 1099 | 10.1107/S010827019401139X | 0.71073 | MoKα | null | 0.038 | null | null | 0.05 | null | null | null | null | 2.09 | 2.09 | null | null | null | has coordinates | Parker, O. J.; Breneman, G. L.
Tetrakis(imidazole)copper(II) Dibromide, [Cu(Him)~4~]Br~2~
Acta Crystallographica Section C
51(6)
(1995)
1097-1099 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,003,545 | 10.9822 | 0.0022 | 8.0799 | 0.0016 | 15.449 | 0.003 | 90 | null | 113.28 | 0.12 | 90 | null | 1,259.3 | 1.2 | 203 | null | null | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | - C14 H14 N2 O3 - | - C26 H22 N4 O3 - | - C104 H88 N16 O12 - | 4 | 1 | FG1010 | Chebli, C.; Brisse, F. | 4,4'-Azoxydianisole at 203 K | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1164 | 1167 | 10.1107/S0108270194012023 | 1.54056 | CuKα | null | 0.052 | null | null | 0.059 | null | null | null | null | 2.68 | 2.68 | null | null | null | has coordinates | Chebli, C.; Brisse, F.
4,4'-Azoxydianisole at 203 K
Acta Crystallographica Section C
51(6)
(1995)
1164-1167 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,003,546 | 10.434 | 0.002 | 13.699 | 0.002 | 25.148 | 0.004 | 90 | null | 90 | null | 90 | null | 3,594.5 | 1 | 293 | null | null | null | null | null | null | null | 8 | P 21 21 21 | P 2ac 2ab | 19 | - C32 H39 B F3 Mo N7 O3 S - | - C32 H39 B F3 Mo N7 O3 S - | - C128 H156 B4 F12 Mo4 N28 O12 S4 - | 4 | 1 | FG1016 | Vaughan, W. M.; Bonella, J. M.; Abboud, K. A. | A Chelate-Stabilized Molybdenum‒Imido‒Alkylidene Complex, [TpMo{CHC(Me)~2~Ph}(NAr)(OTf)] | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1075 | 1078 | 10.1107/S010827019401231X | 0.71073 | MoKα | null | 0.053 | null | null | 0.0546 | null | null | null | null | 1.48 | 1.48 | null | null | null | has coordinates | Vaughan, W. M.; Bonella, J. M.; Abboud, K. A.
A Chelate-Stabilized Molybdenum‒Imido‒Alkylidene Complex, [TpMo{CHC(Me)~2~Ph}(NAr)(OTf)]
Acta Crystallographica Section C
51(6)
(1995)
1075-1078 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,547 | 6.815 | 0.001 | 17.967 | 0.002 | 6.223 | 0.001 | 98.52 | 0.01 | 98.69 | 0.01 | 84.52 | 0.01 | 742.83 | 0.18 | 295 | 1 | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C12 H20 Cl2 Pd S2 - | - C12 H20 Cl2 Pd S2 - | - C24 H40 Cl4 Pd2 S4 - | 2 | 1 | FG1033 | Parvez, M.; Primak, A.; Clark, P. D. | <i>trans</i>-Dichlorobis(7-thiabicyclo[2.2.1]heptane)palladium(II) and <i>trans</i>-Dichlorobis(7-thiabicyclo[2.2.1]heptane)platinum(II) | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1099 | 1102 | 10.1107/S0108270194014861 | 0.71073 | MoKα | null | 0.044 | null | null | 0.059 | null | null | null | null | 2.81 | 2.81 | null | null | null | has coordinates | Parvez, M.; Primak, A.; Clark, P. D.
<i>trans</i>-Dichlorobis(7-thiabicyclo[2.2.1]heptane)palladium(II) and <i>trans</i>-Dichlorobis(7-thiabicyclo[2.2.1]heptane)platinum(II)
Acta Crystallographica Section C
51(6)
(1995)
1099-1102 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,003,548 | 7.934 | 0.003 | 11.759 | 0.003 | 8.256 | 0.002 | 90 | null | 94.94 | 0.01 | 90 | null | 767.4 | 0.4 | 295 | 1 | null | null | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | - C12 H20 Cl2 Pt S2 - | - C12 H20 Cl2 Pt S2 - | - C24 H40 Cl4 Pt2 S4 - | 2 | 0.5 | FG1033 | Parvez, M.; Primak, A.; Clark, P. D. | <i>trans</i>-Dichlorobis(7-thiabicyclo[2.2.1]heptane)palladium(II) and <i>trans</i>-Dichlorobis(7-thiabicyclo[2.2.1]heptane)platinum(II) | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1099 | 1102 | 10.1107/S0108270194014861 | 0.71073 | MoKα | null | 0.035 | null | null | 0.05 | null | null | null | null | 3.63 | 3.63 | null | null | null | has coordinates | Parvez, M.; Primak, A.; Clark, P. D.
<i>trans</i>-Dichlorobis(7-thiabicyclo[2.2.1]heptane)palladium(II) and <i>trans</i>-Dichlorobis(7-thiabicyclo[2.2.1]heptane)platinum(II)
Acta Crystallographica Section C
51(6)
(1995)
1099-1102 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,003,549 | 7.569 | 0.001 | 9.738 | 0.002 | 9.503 | 0.001 | 90 | null | 96.32 | 0.01 | 90 | null | 696.18 | 0.19 | 296 | null | 296 | null | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | [3S,4S,5R-(1β,3β,6α,7α,12aβ)]-hexahydro-1-hydroxy-6,6- dimethyl-3,13a:4,8-diepoxy-3H,6H-dioxolano[4,5-f] pyrimido[6,1-c][1,4]oxazonine-10,12(11H,13H)dione | - C13 H16 N2 O8 - | - C13 H16 N2 O8 - | - C26 H32 N4 O16 - | 2 | 1 | FG1041 | Groziak, M. P.; Lin, R.; Robinson, P. D. | An Unusual C6-Spiro-Fused Cyclouridine Derivative | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1204 | 1207 | 10.1107/S0108270194012631 | 0.71069 | MoKα | null | 0.035 | null | null | 0.043 | null | null | null | null | 1.96 | 1.96 | null | null | null | has coordinates | Groziak, M. P.; Lin, R.; Robinson, P. D.
An Unusual C6-Spiro-Fused Cyclouridine Derivative
Acta Crystallographica Section C
51(6)
(1995)
1204-1207 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,003,550 | 16.652 | 0.003 | 12.754 | 0.003 | 3.841 | 0.002 | 90 | null | 94.39 | 0.02 | 90 | null | 813.4 | 0.5 | 295 | null | null | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | - C8 H8 N2 O3 - | - C8 H8 N2 O3 - | - C32 H32 N8 O12 - | 4 | 1 | HA1105 | Adatia, T.; Barjesteh, H.; Charalambous, J.; Choi, N.; McPartlin, M. | 3-Acetylamino-1,4-benzoquinone 4-Oxime | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1187 | 1189 | 10.1107/S0108270194012837 | 0.71069 | MoKα | null | 0.056 | null | null | 0.0545 | null | null | null | null | 1.37 | 1.37 | null | null | null | has coordinates | Adatia, T.; Barjesteh, H.; Charalambous, J.; Choi, N.; McPartlin, M.
3-Acetylamino-1,4-benzoquinone 4-Oxime
Acta Crystallographica Section C
51(6)
(1995)
1187-1189 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,003,551 | 6.003 | 0.005 | 8.301 | 0.006 | 11.432 | 0.01 | 90 | null | 94.39 | 0.05 | 90 | null | 568 | 0.8 | 293 | null | null | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | - C4 H7 N3 O2 - | - C4 H7 N3 O2 - | - C16 H28 N12 O8 - | 4 | 1 | HA1112 | Kettmann, V.; Svetlík, J.; Schantl, J. G. | 4,5-Dihydro-5,5-dimethyl-3<i>H</i>-1,2,4-triazol-3-one 1-Oxide | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1133 | 1135 | 10.1107/S0108270194011947 | 0.71069 | MoKα | null | 0.062 | null | null | 0.074 | null | null | null | null | 1.23 | 1.23 | null | null | null | has coordinates | Kettmann, V.; Svetlík, J.; Schantl, J. G.
4,5-Dihydro-5,5-dimethyl-3<i>H</i>-1,2,4-triazol-3-one 1-Oxide
Acta Crystallographica Section C
51(6)
(1995)
1133-1135 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,003,552 | 10.888 | 0.002 | 9.329 | 0.001 | 12.628 | 0.001 | 90 | null | 95.03 | 0.01 | 90 | null | 1,277.7 | 0.3 | 298 | null | null | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C15 H9 Cl N2 O2 - | - C15 H9 Cl N2 O2 - | - C60 H36 Cl4 N8 O8 - | 4 | 1 | HA1116 | Kendi, E.; Özbey, S.; Ide, S.; Fun, H.-K.; Yip, B.-C. | The Phenylhydrazone Form of 2-(4-Chlorophenylazo)-1,3-indandione | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1144 | 1146 | 10.1107/S0108270194012047 | 0.7107 | MoKα | null | 0.0476 | null | null | 0.0567 | null | null | null | null | 2.22 | 2.22 | null | null | null | has coordinates | Kendi, E.; Özbey, S.; Ide, S.; Fun, H.-K.; Yip, B.-C.
The Phenylhydrazone Form of 2-(4-Chlorophenylazo)-1,3-indandione
Acta Crystallographica Section C
51(6)
(1995)
1144-1146 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,003,553 | 12.569 | 0.004 | 5.1148 | 0.0007 | 21.74 | 0.01 | 90 | null | 104.04 | 0.04 | 90 | null | 1,355.9 | 0.8 | 102 | null | null | null | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | - C12 H27 P - | - C12 H27 P - | - C48 H108 P4 - | 4 | 1 | HR1046 | Bruckmann, J.; Krüger, C. | Tris(<i>n</i>-butyl)phosphine, Tris(<i>tert</i>-butyl)phosphine and Tris(trimethylsilyl)phosphine | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1152 | 1155 | 10.1107/S0108270194014356 | 0.71073 | MoKα | null | 0.041 | null | null | 0.049 | null | null | null | null | 2 | 2 | null | null | null | has coordinates | Bruckmann, J.; Krüger, C.
Tris(<i>n</i>-butyl)phosphine, Tris(<i>tert</i>-butyl)phosphine and Tris(trimethylsilyl)phosphine
Acta Crystallographica Section C
51(6)
(1995)
1152-1155 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,003,554 | 9.219 | 0.001 | 13.768 | 0.005 | 11.133 | 0.002 | 90 | null | 111.36 | 0.01 | 90 | null | 1,316 | 0.6 | 102 | null | null | null | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | - C12 H27 P - | - C12 H27 P - | - C48 H108 P4 - | 4 | 1 | HR1046 | Bruckmann, J.; Krüger, C. | Tris(<i>n</i>-butyl)phosphine, Tris(<i>tert</i>-butyl)phosphine and Tris(trimethylsilyl)phosphine | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1152 | 1155 | 10.1107/S0108270194014356 | 0.71073 | MoKα | null | 0.04 | null | null | 0.045 | null | null | null | null | 1.8 | 1.8 | null | null | null | has coordinates | Bruckmann, J.; Krüger, C.
Tris(<i>n</i>-butyl)phosphine, Tris(<i>tert</i>-butyl)phosphine and Tris(trimethylsilyl)phosphine
Acta Crystallographica Section C
51(6)
(1995)
1152-1155 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,003,555 | 9.859 | 0.002 | 15.01 | 0.006 | 11.947 | 0.005 | 90 | null | 113.91 | 0.02 | 90 | null | 1,616.2 | 1 | 102 | null | null | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | - C9 H27 P Si3 - | - C9 H27 P Si3 - | - C36 H108 P4 Si12 - | 4 | 1 | HR1046 | Bruckmann, J.; Krüger, C. | Tris(<i>n</i>-butyl)phosphine, Tris(<i>tert</i>-butyl)phosphine and Tris(trimethylsilyl)phosphine | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1152 | 1155 | 10.1107/S0108270194014356 | 0.71073 | MoKα | null | 0.034 | null | null | 0.046 | null | null | null | null | 1.9 | 1.9 | null | null | null | has coordinates | Bruckmann, J.; Krüger, C.
Tris(<i>n</i>-butyl)phosphine, Tris(<i>tert</i>-butyl)phosphine and Tris(trimethylsilyl)phosphine
Acta Crystallographica Section C
51(6)
(1995)
1152-1155 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,003,556 | 21.472 | 0.005 | 9.117 | 0.001 | 5.186 | 0.001 | 90 | null | 90 | null | 90 | null | 1,015.2 | 0.3 | 102 | null | null | null | null | null | null | null | see text | 3 | P n m a | -P 2ac 2n | 62 | - C3 H9 P - | - C3 H18 P2 - | - C24 H144 P16 - | 8 | 1 | HR1047 | Bruckmann, J.; Krüger, C. | Trimethylphosphine and Triethylphosphine in the Solid State | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1155 | 1158 | 10.1107/S0108270194014368 | 0.71069 | MoKα | null | 0.037 | null | null | 0.049 | null | null | null | null | 1.9 | 1.9 | null | null | null | has coordinates | Bruckmann, J.; Krüger, C.
Trimethylphosphine and Triethylphosphine in the Solid State
Acta Crystallographica Section C
51(6)
(1995)
1155-1158 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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2,003,557 | 9.495 | 0.004 | 7.421 | 0.001 | 11.151 | 0.003 | 90 | null | 90.71 | 0.02 | 90 | null | 785.7 | 0.4 | 102 | null | null | null | null | null | null | null | see text | 3 | P 1 21/a 1 | -P 2yab | 14 | - C6 H15 P - | - C6 H15 P - | - C24 H60 P4 - | 4 | 1 | HR1047 | Bruckmann, J.; Krüger, C. | Trimethylphosphine and Triethylphosphine in the Solid State | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1155 | 1158 | 10.1107/S0108270194014368 | 0.71069 | MoKα | null | 0.059 | null | null | 0.068 | null | null | null | null | 4.7 | 4.7 | null | null | null | has coordinates | Bruckmann, J.; Krüger, C.
Trimethylphosphine and Triethylphosphine in the Solid State
Acta Crystallographica Section C
51(6)
(1995)
1155-1158 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,003,558 | 11.152 | 0.003 | 14.767 | 0.004 | 12.816 | 0.003 | 90 | null | 102.56 | 0.002 | 90 | null | 2,060.1 | 0.9 | 293 | null | null | null | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | - C36 H44 N8 O12 Zn2 - | - C36 H44 N8 O12 Zn2 - | - C72 H88 N16 O24 Zn4 - | 2 | 0.5 | HR1048 | Skorsepa, J.; Györyovà, K.; Melník, M.; Smolander, K.; Ahlgrén, M. | Dimeric Bis(μ-propionato-<i>O</i>:<i>O</i>')bis[bis(nicotinamide-<i>N</i>)(propionato-<i>O</i>)zinc(II)] | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1069 | 1071 | 10.1107/S0108270194014186 | 0.71073 | MoKα | null | 0.0499 | null | null | 0.0651 | null | null | null | null | 1.43 | 1.43 | null | null | null | has coordinates | Skorsepa, J.; Györyovà, K.; Melník, M.; Smolander, K.; Ahlgrén, M.
Dimeric Bis(μ-propionato-<i>O</i>:<i>O</i>')bis[bis(nicotinamide-<i>N</i>)(propionato-<i>O</i>)zinc(II)]
Acta Crystallographica Section C
51(6)
(1995)
1069-1071 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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4,322,373 | 18.529 | 0.006 | 33.372 | 0.006 | 10.851 | 0.003 | 90 | null | 90 | null | 90 | null | 6,710 | 3 | 200 | 2 | 200 | 2 | null | null | null | null | 8 | P n m a | -P 2ac 2n | 62 | - C51 H70 Cl9 I N6 O3 Ru2 S7 - | - C51 H70 Cl9 I N6 O3 Ru2 S7 - | - C204 H280 Cl36 I4 N24 O12 Ru8 S28 - | 4 | 0.5 | Dieter Sellmann; Jürgen Utz; Frank W. Heinemann | Transition Metal Complexes with Sulfur Ligands. 136.1 Enforced Trans Coordination of Thiolate Donors in Electron Rich Iron, Ruthenium, and Nickel [M(L)(pyN~2~H~2~S~2~)] and [M(L)(pyS~4~)] Complexes (L = CO, PPh~3~, DMSO) (pyN2H2S22-= 2,6-Bis(2-mercaptophenylamino)dimethylpyridine(2-); pyS4^2-^ = 2,6-Bis(2-mercaptopheny... | Inorganic Chemistry | 1,999 | 38 | 5314 | 5322 | 10.1021/ic990169h | 0.71073 | MoKα | 0.0843 | 0.067 | null | 0.1902 | 0.1793 | null | null | null | 1.273 | 1.418 | 1.418 | null | null | null | has coordinates,has disorder | Dieter Sellmann; Jürgen Utz; Frank W. Heinemann
Transition Metal Complexes with Sulfur Ligands. 136.1 Enforced Trans Coordination of Thiolate Donors in Electron Rich Iron, Ruthenium, and Nickel [M(L)(pyN~2~H~2~S~2~)] and [M(L)(pyS~4~)] Complexes (L = CO, PPh~3~, DMSO) (pyN2H2S22-= 2,6-Bis(2-mercaptophenylamino)dimethyl... | 179,326 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,559 | 9.477 | 0.001 | 7.463 | 0.001 | 26.727 | 0.003 | 90 | null | 90 | null | 90 | null | 1,890.3 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P b c a | -P 2ac 2ab | 61 | - C8 H6 K O5 - | - C8 H6 K O5 - | - C64 H48 K8 O40 - | 8 | 1 | HU1120 | Kariuki, B. M.; Jones, W. | Potassium Hydrogen Phthalate Hemiperhydrate | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1128 | 1130 | 10.1107/S0108270194012497 | 0.71069 | MoKα | 0.1379 | 0.0449 | null | 0.106 | 0.0859 | null | null | null | 0.93 | 1.262 | 1.262 | null | null | null | has coordinates | Kariuki, B. M.; Jones, W.
Potassium Hydrogen Phthalate Hemiperhydrate
Acta Crystallographica Section C
51(6)
(1995)
1128-1130 | 176,432 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
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2,003,560 | 14.506 | 0.004 | 3.7329 | 0.001 | 19.245 | 0.003 | 90 | null | 91.45 | 0.02 | 90 | null | 1,041.8 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/a 1 | -P 2yab | 14 | Sodium o-chloro-trans-cinnamate dihydrate | - C9 H10 Cl Na O4 - | - C9 H10 Cl Na O4 - | - C36 H40 Cl4 Na4 O16 - | 4 | 1 | HU1125 | Kariuki, B. M.; Valim, J. B.; Jones, W.; King, J. | Sodium 3-(2-Chlorophenyl)propenoate Dihydrate and Tetraaquamagnesium Bis[3-(2-hydroxyphenyl)propenoate] | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1051 | 1053 | 10.1107/S0108270194012503 | 0.71069 | MoKα | 0.0461 | 0.034 | null | 0.1037 | 0.0943 | null | null | null | 1.067 | 1.156 | 1.156 | null | null | null | has coordinates | Kariuki, B. M.; Valim, J. B.; Jones, W.; King, J.
Sodium 3-(2-Chlorophenyl)propenoate Dihydrate and Tetraaquamagnesium Bis[3-(2-hydroxyphenyl)propenoate]
Acta Crystallographica Section C
51(6)
(1995)
1051-1053 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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2,003,561 | 6.025 | 0.003 | 5.385 | 0.003 | 29.991 | 0.014 | 90 | null | 94.46 | 0.04 | 90 | null | 970.1 | 0.9 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | Tetra-aqua-magnesium bis(o-hydroxy-trans-cinnamate) | - C18 H22 Mg O10 - | - C18 H22 Mg O10 - | - C36 H44 Mg2 O20 - | 2 | 0.5 | HU1125 | Kariuki, B. M.; Valim, J. B.; Jones, W.; King, J. | Sodium 3-(2-Chlorophenyl)propenoate Dihydrate and Tetraaquamagnesium Bis[3-(2-hydroxyphenyl)propenoate] | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1051 | 1053 | 10.1107/S0108270194012503 | 0.71069 | MoKα | 0.0524 | 0.0425 | null | 0.1171 | 0.1138 | null | null | null | 1.107 | 1.177 | 1.177 | null | null | null | has coordinates | Kariuki, B. M.; Valim, J. B.; Jones, W.; King, J.
Sodium 3-(2-Chlorophenyl)propenoate Dihydrate and Tetraaquamagnesium Bis[3-(2-hydroxyphenyl)propenoate]
Acta Crystallographica Section C
51(6)
(1995)
1051-1053 | 219,800 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2019-10-28 09:23:29 +0200 (Mon, 28 Oct 2019) $
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2,003,562 | 12.513 | 0.002 | 17.356 | 0.003 | 10.172 | 0.002 | 90 | null | 102.66 | 0.003 | 90 | null | 2,155.4 | 0.7 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | - C25 H17 Cl3 O3 - | - C25 H17 Cl3 O3 - | - C100 H68 Cl12 O12 - | 4 | 1 | HU1130 | Anulewicz, R.; Świrska, B.; Milart, P. | Pyrylium Salts. VII. 2,4,6-Triphenylpyrylium Trichloroacetate | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1180 | 1182 | 10.1107/S0108270194012515 | 1.54178 | CuKα | 0.0712 | 0.0681 | null | 0.1844 | 0.177 | null | null | null | 1.046 | 1.053 | 1.053 | null | null | null | has coordinates | Anulewicz, R.; Świrska, B.; Milart, P.
Pyrylium Salts. VII. 2,4,6-Triphenylpyrylium Trichloroacetate
Acta Crystallographica Section C
51(6)
(1995)
1180-1182 | 201,955 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-10-13 03:08:28 +0300 (Fri, 13 Oct 2017) $
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2,003,563 | 7.029 | 0.002 | 11.598 | 0.003 | 13.172 | 0.02 | 103.85 | 0.02 | 89.14 | 0.02 | 95.87 | null | 1,037.1 | 1.6 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | Berberine Chloride tetrahydrate | - C20 H26 Cl N O8 - | - C20 H26 Cl N O8 - | - C40 H52 Cl2 N2 O16 - | 2 | 1 | HU1131 | Kariuki, B. M.; Jones, W. | Five Salts of Berberine | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1234 | 1240 | 10.1107/S010827019401259X | 0.71069 | MoKα | 0.1273 | 0.0701 | null | 0.2214 | 0.1947 | null | null | null | 0.98 | 1.238 | 1.238 | null | null | null | has coordinates | Kariuki, B. M.; Jones, W.
Five Salts of Berberine
Acta Crystallographica Section C
51(6)
(1995)
1234-1240 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,003,564 | 7.3712 | 0.001 | 11.2724 | 0.001 | 13.3998 | 0.001 | 77.587 | 0.007 | 73.299 | 0.007 | 78.228 | 0.008 | 1,029.4 | 0.19 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | Berberine chloride ethanol solvate hemihydrate | - C22 H25 Cl N O5.5 - | - C22 H25 Cl N O5.5 - | - C44 H50 Cl2 N2 O11 - | 2 | 1 | HU1131 | Kariuki, B. M.; Jones, W. | Five Salts of Berberine | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1234 | 1240 | 10.1107/S010827019401259X | 0.71069 | MoKα | 0.126 | 0.0562 | null | 0.1879 | 0.1534 | null | null | null | 0.99 | 1.302 | 1.302 | null | null | null | has coordinates | Kariuki, B. M.; Jones, W.
Five Salts of Berberine
Acta Crystallographica Section C
51(6)
(1995)
1234-1240 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$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/2/00/35/2003564.cif $
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2,003,565 | 21.974 | 0.003 | 7.2 | 0.007 | 26.151 | 0.003 | 90 | null | 110.18 | 0.01 | 90 | null | 3,883 | 4 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | I 1 2/a 1 | -I 2ya | 15 | Berberine bromide dihydrate | - C20 H22 Br N O6 - | - C20 H22 Br N O6 - | - C160 H176 Br8 N8 O48 - | 8 | 1 | HU1131 | Kariuki, B. M.; Jones, W. | Five Salts of Berberine | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1234 | 1240 | 10.1107/S010827019401259X | 0.71069 | MoKα | 0.1631 | 0.0471 | null | 0.0971 | 0.0839 | null | null | null | 0.831 | 1.189 | 1.189 | null | null | null | has coordinates | Kariuki, B. M.; Jones, W.
Five Salts of Berberine
Acta Crystallographica Section C
51(6)
(1995)
1234-1240 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$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/2/00/35/2003565.cif $
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2,003,566 | 7.0814 | 0.001 | 15.917 | 0.002 | 16.154 | 0.002 | 90 | null | 99.126 | 0.01 | 90 | null | 1,797.7 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | Berberine Iodide | - C20 H18 I N O4 - | - C20 H18 I N O4 - | - C80 H72 I4 N4 O16 - | 4 | 1 | HU1131 | Kariuki, B. M.; Jones, W. | Five Salts of Berberine | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1234 | 1240 | 10.1107/S010827019401259X | 0.71069 | MoKα | 0.2655 | 0.0666 | null | 0.1288 | 0.1 | null | null | null | 0.75 | 1.277 | 1.277 | null | null | null | has coordinates | Kariuki, B. M.; Jones, W.
Five Salts of Berberine
Acta Crystallographica Section C
51(6)
(1995)
1234-1240 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$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/2/00/35/2003566.cif $
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2,003,567 | 23.198 | 0.03 | 6.918 | 0.01 | 24.963 | 0.03 | 90 | null | 96.65 | 0.09 | 90 | null | 3,979 | 9 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/a 1 | -P 2yab | 14 | Bis(berberine) sulphate heptadydrate | - C40 H50 N2 O19 S - | - C40 H50 N2 O19 S - | - C160 H200 N8 O76 S4 - | 4 | 1 | HU1131 | Kariuki, B. M.; Jones, W. | Five Salts of Berberine | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1234 | 1240 | 10.1107/S010827019401259X | 0.71069 | MoKα | 0.2867 | 0.0764 | null | 0.2046 | 0.1649 | null | null | null | 0.732 | 1.321 | 1.321 | null | null | null | has coordinates | Kariuki, B. M.; Jones, W.
Five Salts of Berberine
Acta Crystallographica Section C
51(6)
(1995)
1234-1240 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$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/2/00/35/2003567.cif $
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