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|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
2,010,087 | 13.4586 | 0.0001 | 13.4586 | 0.0001 | 13.938 | 0.0001 | 90 | null | 90 | null | 90 | null | 2,524.64 | 0.03 | 293 | null | 293 | null | null | null | null | null | 4 | I 41/a :2 | -I 4ad | 88 | - Fe O6 Rb Si2 - | - Fe O6 Rb Si2 - | - Fe16 O96 Rb16 Si32 - | 16 | 1 | BR1077 | Bell, A.M.T.; Henderson, C.M.B. | Rietveld refinement of the structures of dry-synthesized <i>M</i>Fe^III^Si~2~O~6~ leucites (<i>M</i> = K, Rb, Cs) by synchrotron X-ray powder diffraction | Acta Crystallographica Section C | 1,994 | 50 | 10 | 1531 | 1536 | 10.1107/S0108270194004014 | 1.80067 | synchrotron | null | 0.089 | null | null | 0.174 | null | null | null | null | 2.898 | 2.898 | null | null | null | has coordinates | Bell, A.M.T.; Henderson, C.M.B.
Rietveld refinement of the structures of dry-synthesized <i>M</i>Fe^III^Si~2~O~6~ leucites (<i>M</i> = K, Rb, Cs) by synchrotron X-ray powder diffraction
Acta Crystallographica Section C
50(10)
(1994)
1531-1536 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,010,088 | 13.8542 | 0.0001 | 13.8542 | 0.0001 | 13.8542 | 0.0001 | 90 | null | 90 | null | 90 | null | 2,659.16 | 0.03 | 293 | null | 293 | null | null | null | null | null | 4 | I a -3 d | -I 4bd 2c 3 | 230 | - Cs Fe O6 Si2 - | - Cs Fe0.999 O6 Si2.001 - | - Cs16 Fe15.984 O96 Si32.016 - | 16 | 0.166667 | BR1077 | Bell, A.M.T.; Henderson, C.M.B. | Rietveld refinement of the structures of dry-synthesized <i>M</i>Fe^III^Si~2~O~6~ leucites (<i>M</i> = K, Rb, Cs) by synchrotron X-ray powder diffraction | Acta Crystallographica Section C | 1,994 | 50 | 10 | 1531 | 1536 | 10.1107/S0108270194004014 | 1.80067 | synchrotron | null | 0.106 | null | null | 0.173 | null | null | null | null | 1.171 | 1.171 | null | null | null | has coordinates | Bell, A.M.T.; Henderson, C.M.B.
Rietveld refinement of the structures of dry-synthesized <i>M</i>Fe^III^Si~2~O~6~ leucites (<i>M</i> = K, Rb, Cs) by synchrotron X-ray powder diffraction
Acta Crystallographica Section C
50(10)
(1994)
1531-1536 | 205,968 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2018-01-31 17:35:22 +0200 (Wed, 31 Jan 2018) $
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2,010,089 | 15.444 | 0.005 | 12.664 | 0.001 | 10.996 | 0.001 | 90 | null | 99.61 | 0.02 | 90 | null | 2,120.4 | 0.7 | 293 | null | null | null | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | null | - C22 H14 Cl N5 O4 S - | - C22 H14 Cl N5 O4 S - | - C88 H56 Cl4 N20 O16 S4 - | 4 | 1 | CR1075 | Thomas, L. M.; Ramasubbu, N.; Bhandary, K. K.; Shirdhara, K.; Holla, B. S. | A new class of substituted 1,2,4-triazolo-1,3,4-thiadiazepines | Acta Crystallographica Section C | 1,994 | 50 | 10 | 1608 | 1612 | 10.1107/S0108270193013058 | 1.5418 | CuKα | null | 0.044 | null | null | 0.052 | null | null | null | null | 1.36 | 1.36 | null | null | null | has coordinates | Thomas, L. M.; Ramasubbu, N.; Bhandary, K. K.; Shirdhara, K.; Holla, B. S.
A new class of substituted 1,2,4-triazolo-1,3,4-thiadiazepines
Acta Crystallographica Section C
50(10)
(1994)
1608-1612 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,090 | 6.755 | 0.001 | 7.614 | 0.001 | 21.537 | 0.002 | 89.25 | 0.01 | 88.82 | 0.01 | 78.95 | 0.01 | 1,086.9 | 0.2 | 298 | null | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C23 H17 N5 O4 S - | - C23 H17 N5 O4 S - | - C46 H34 N10 O8 S2 - | 2 | 1 | CR1075 | Thomas, L. M.; Ramasubbu, N.; Bhandary, K. K.; Shirdhara, K.; Holla, B. S. | A new class of substituted 1,2,4-triazolo-1,3,4-thiadiazepines | Acta Crystallographica Section C | 1,994 | 50 | 10 | 1608 | 1612 | 10.1107/S0108270193013058 | 1.5418 | CuKα | null | 0.043 | null | null | 0.054 | null | null | null | null | 1.513 | 1.513 | null | null | null | has coordinates | Thomas, L. M.; Ramasubbu, N.; Bhandary, K. K.; Shirdhara, K.; Holla, B. S.
A new class of substituted 1,2,4-triazolo-1,3,4-thiadiazepines
Acta Crystallographica Section C
50(10)
(1994)
1608-1612 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,091 | 14.046 | 0.003 | 33.013 | 0.007 | 8.425 | 0.002 | 90 | null | 96.11 | 0.03 | 90 | null | 3,884.5 | 1.5 | 295 | 2 | 293 | 2 | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | bisaquotetra(sodium-15-crown-5)tetraiododicopper(I)hexaiodotetracopper(I)] | - C40 H84 Cu6 I10 Na4 O22 - | - C40 H80 Cu6 I10 Na4 O22 - | - C80 H160 Cu12 I20 Na8 O44 - | 2 | 0.5 | CR1125 | Hu, Guozhi; Holt, Elizabeth M. | Bis[aqua(15-crown-5)sodium] bis[(15-crown-5)sodium] hexaiodotetracopper(I) tetraiododicopper(I) | Acta Crystallographica Section C | 1,994 | 50 | 10 | 1578 | 1580 | 10.1107/S0108270194005354 | 0.71069 | MoKα | 0.1839 | 0.069 | null | 0.2272 | 0.1673 | null | null | null | 0.907 | 1.197 | 1.197 | null | null | null | has coordinates | Hu, Guozhi; Holt, Elizabeth M.
Bis[aqua(15-crown-5)sodium] bis[(15-crown-5)sodium] hexaiodotetracopper(I) tetraiododicopper(I)
Acta Crystallographica Section C
50(10)
(1994)
1578-1580 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
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2,010,092 | 15.96 | null | 17.044 | null | 12.447 | null | 90 | null | 90 | null | 90 | null | 3,385.86 | null | null | null | null | null | null | null | null | null | 6 | P n m a | -P 2ac 2n | 62 | - C32 H36 B N7 O3 V - | - C34 H33 B N8 O3 V - | - C136 H132 B4 N32 O12 V4 - | 4 | 0.5 | CR1133 | Marsh, R.E. | On the structure of the mixed ligand complex of [VO]^2+^ with hydrotris(3,5-dimethylpyrazolyl)borato and 1,3-diphenyl-1,3-propanedionato ligands | Acta Crystallographica Section C | 1,994 | 50 | 10 | 1596 | 1598 | 10.1107/S0108270194004154 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Marsh, R.E.
On the structure of the mixed ligand complex of [VO]^2+^ with hydrotris(3,5-dimethylpyrazolyl)borato and 1,3-diphenyl-1,3-propanedionato ligands
Acta Crystallographica Section C
50(10)
(1994)
1596-1598 | 278,244 | 2022-09-28 | 13:56:22 | #------------------------------------------------------------------------------
#$Date: 2022-09-28 16:56:03 +0300 (Wed, 28 Sep 2022) $
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2,010,093 | 8.945 | 0.001 | 11.468 | 0.001 | 6.628 | 0.001 | 90 | null | 102.54 | 0.01 | 90 | null | 663.69 | 0.14 | 294 | null | 294 | null | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | Di-μ-chloro-bis[(η-cyclopentadienyl)nitrosylmolybdenum] | - C10 H10 Cl2 Mo2 N2 O2 - | - C10 H10 Cl2 Mo2 N2 O2 - | - C20 H20 Cl4 Mo4 N4 O4 - | 2 | 0.5 | CR1145 | Christensen, Nancy J.; Legzdins, Peter; Trotter, James; Yee, Vivien C. | Di-μ-chloro-bis[(η^5^-cyclopentadienyl)nitrosylmolybdenum] | Acta Crystallographica Section C | 1,994 | 50 | 10 | 1558 | 1559 | 10.1107/S0108270194005755 | 0.7093 | MoKα~1~ | 0.026 | 0.02 | null | 0.031 | 0.031 | null | null | null | null | 1.33 | 1.33 | null | null | null | has coordinates | Christensen, Nancy J.; Legzdins, Peter; Trotter, James; Yee, Vivien C.
Di-μ-chloro-bis[(η^5^-cyclopentadienyl)nitrosylmolybdenum]
Acta Crystallographica Section C
50(10)
(1994)
1558-1559 | 190,987 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-01-26 17:27:39 +0200 (Thu, 26 Jan 2017) $
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2,010,094 | 10.411 | 0.007 | 10.76 | 0.005 | 15.801 | 0.008 | 83.52 | 0.04 | 89.78 | 0.05 | 61.41 | 0.05 | 1,541.8 | 1.7 | 295 | null | null | null | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C14 H34 F6 O19 S2 U - | - C14 H34 F6 O19 S2 U - | - C28 H68 F12 O38 S4 U2 - | 2 | 1 | DU1069 | Deshayes, L.; Keller, N.; Lance, M.; Nierlich, M.; Vigner, J.-D. | Pentaaquadioxouranium(VI) triflate–18-crown-6 | Acta Crystallographica Section C | 1,994 | 50 | 10 | 1541 | 1544 | 10.1107/S0108270193013745 | 0.71073 | MoKα | null | 0.045 | null | null | 0.061 | null | null | null | null | 2.5 | 2.5 | null | null | null | has coordinates | Deshayes, L.; Keller, N.; Lance, M.; Nierlich, M.; Vigner, J.-D.
Pentaaquadioxouranium(VI) triflate–18-crown-6
Acta Crystallographica Section C
50(10)
(1994)
1541-1544 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
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2,010,095 | 8.2896 | 0.0008 | 8.2896 | 0.0008 | 23.53 | 0.004 | 90 | null | 90 | null | 120 | null | 1,400.3 | 0.3 | 295 | 2 | null | null | null | null | null | null | 4 | R -3 c | -R 3 2"c | null | - O12 P3 Rb Ti2 - | - O12 P3 Rb Ti2 - | - O72 P18 Rb6 Ti12 - | 6 | null | DU1070 | Duhlev, R. | RbTi~2~(PO~4~)~3~ | Acta Crystallographica Section C | 1,994 | 50 | 10 | 1525 | 1527 | 10.1107/S0108270194000788 | 0.71073 | MoKα | null | 0.0277 | null | null | 0.0276 | null | null | null | null | null | null | null | null | null | has coordinates | Duhlev, R.
RbTi~2~(PO~4~)~3~
Acta Crystallographica Section C
50(10)
(1994)
1525-1527 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
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2,010,096 | 18.281 | 0.002 | 6.2932 | 0.0007 | 14.773 | 0.002 | 90 | null | 90 | null | 90 | null | 1,699.6 | 0.4 | 295 | 2 | null | null | null | null | null | null | 4 | P c a 21 | P 2c -2ac | null | - O20 P5 Rb3 Ti3 - | - O20 P5 Rb3 Ti3 - | - O80 P20 Rb12 Ti12 - | 4 | 1 | DU1071 | Duhlev, R. | Rb~3~Ti~2~(TiO)(PO~4~)~3~P~2~O~7~: A new non-centrosymmetric titanyl phosphate | Acta Crystallographica Section C | 1,994 | 50 | 10 | 1523 | 1525 | 10.1107/S010827019400079X | 0.71073 | MoKα | null | 0.0331 | null | null | 0.0344 | null | null | null | null | null | null | null | null | null | has coordinates | Duhlev, R.
Rb~3~Ti~2~(TiO)(PO~4~)~3~P~2~O~7~: A new non-centrosymmetric titanyl phosphate
Acta Crystallographica Section C
50(10)
(1994)
1523-1525 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
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2,010,097 | 10.281 | 0.002 | 13.844 | 0.003 | 17.064 | 0.005 | 90 | null | 90 | null | 90 | null | 2,428.7 | 1 | 293 | null | null | null | null | null | null | null | 6 | P c a b | -P 2bc 2ac | 61 | - C H7 Al3 N O13 P3 - | - C H7 Al3 N O13 P3 - | - C8 H56 Al24 N8 O104 P24 - | 8 | 1 | DU1073 | Chippindale, A.M.; Powell, A.V.; Jones, R.H.; Thomas, J.M.; Cheetham, A.K.; Huo, Q.; Xu, R. | A three-dimensional framework aluminophosphate (CH~3~NH~3~)^+^[Al~3~P~3~O~13~H]^{-^} | Acta Crystallographica Section C | 1,994 | 50 | 10 | 1537 | 1540 | 10.1107/S0108270194003537 | 0.71073 | MoKα | null | 0.0476 | null | null | 0.0456 | null | null | null | null | 1.38 | 1.38 | null | null | null | has coordinates | Chippindale, A.M.; Powell, A.V.; Jones, R.H.; Thomas, J.M.; Cheetham, A.K.; Huo, Q.; Xu, R.
A three-dimensional framework aluminophosphate (CH~3~NH~3~)^+^[Al~3~P~3~O~13~H]^{-^}
Acta Crystallographica Section C
50(10)
(1994)
1537-1540 | 192,027 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-02-13 17:46:56 +0200 (Mon, 13 Feb 2017) $
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2,010,098 | 10.733 | 0.001 | 10.089 | 0.001 | 11.479 | 0.002 | 90 | null | 91.09 | 0.01 | 90 | null | 1,242.8 | 0.3 | 293 | null | null | null | null | null | null | null | 6 | P 1 21/a 1 | -P 2yab | 14 | - C7 H9 Cl2 Hg2 N O2 - | - C7 H9 Cl2 Hg2 N O2 - | - C28 H36 Cl8 Hg8 N4 O8 - | 4 | 1 | DU1077 | Bonhomme, C.; Toledano, P.; Livage, J. | A new dimercurated derivative of acetylacetone, [Hg~2~(C~5~H~6~O~2~)Cl~2~].CH~3~CN | Acta Crystallographica Section C | 1,994 | 50 | 10 | 1590 | 1592 | 10.1107/S010827019400332X | 0.71069 | MoKᾱ | null | 0.0279 | null | null | 0.0331 | null | null | null | null | 2.36 | 2.36 | null | null | null | has coordinates | Bonhomme, C.; Toledano, P.; Livage, J.
A new dimercurated derivative of acetylacetone, [Hg~2~(C~5~H~6~O~2~)Cl~2~].CH~3~CN
Acta Crystallographica Section C
50(10)
(1994)
1590-1592 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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2,010,099 | 10.867 | 0.001 | 10.867 | 0.001 | 17.554 | 0.002 | 90 | null | 90 | null | 120 | null | 1,795.3 | 0.3 | 293 | null | null | null | null | null | null | null | 3 | P 63/m c m | -P 6c 2 | 193 | - Al41.24 Cr5.76 Yb6 - | - Al43 Cr4 Yb6 - | - Al86 Cr8 Yb12 - | 2 | 0.083333 | DU1079 | Yanson, T.I.; Manyako, M.B.; Bodak, O.I.; Zarechnyuk, O.S.; Gladyshevskii, R.E.; Cerny, R.; Yvon, K. | Hexagonal Yb~6~Cr~4+<i>x~</i>Al~43{-~<i>x</i>} (<i>x</i> = 1.76) with a new structure type | Acta Crystallographica Section C | 1,994 | 50 | 10 | 1529 | 1531 | 10.1107/S010827019400377X | 0.71073 | MoKα | null | 0.053 | null | null | 0.036 | null | null | null | null | 1.91 | 1.91 | null | null | null | has coordinates | Yanson, T.I.; Manyako, M.B.; Bodak, O.I.; Zarechnyuk, O.S.; Gladyshevskii, R.E.; Cerny, R.; Yvon, K.
Hexagonal Yb~6~Cr~4+<i>x~</i>Al~43{-~<i>x</i>} (<i>x</i> = 1.76) with a new structure type
Acta Crystallographica Section C
50(10)
(1994)
1529-1531 | 176,432 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
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2,010,100 | 13.453 | 0.0009 | 13.453 | 0.0009 | 14.3945 | 0.0008 | 90 | null | 90 | null | 90 | null | 2,605.2 | 0.3 | 298 | null | 298 | null | null | null | null | null | 5 | P -4 21 m | P -4 2ab | 113 | bis(tetraethylammonium) tetrabromocadmate | bis(tetraethylammonium) tetrabromocadmate | - C16 H40 Br4 Cd N2 - | - C18 H30 Br4 Cd N2 - | - C72 H120 Br16 Cd4 N8 - | 4 | 0.5 | DU1087 | Geselle, M.; Fuess, H. | Bis(tetraethylammonium) tetrabromocadmate | Acta Crystallographica Section C | 1,994 | 50 | 10 | 1582 | 1585 | 10.1107/S0108270194005366 | 0.71069 | Mo_Kα | 0.139 | 0.058 | null | 0.097 | 0.079 | null | null | null | 1.826 | 1.847 | 1.847 | null | null | null | has coordinates | Geselle, M.; Fuess, H.
Bis(tetraethylammonium) tetrabromocadmate
Acta Crystallographica Section C
50(10)
(1994)
1582-1585 | 176,432 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
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2,010,101 | 20.614 | 0.009 | 9.349 | 0.002 | 20.888 | 0.012 | 90 | null | 113.53 | 0.07 | 90 | null | 3,691 | 3 | 293 | 2 | null | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | null | - C19 H28 Cl N O - | - C19 H29 Cl N O1.5 - | - C152 H232 Cl8 N8 O12 - | 8 | 2 | GR1007 | Majeste, R.J.; Poindexter, D.; Jones, L.; Klein, C.L. | 2'-Hydroxy-5,9-dimethyl-2-(3-methyl-2-butenyl)-6,7-benzomorphan (pentazocine) hydrochloride hydrate | Acta Crystallographica Section C | 1,994 | 50 | 10 | 1633 | 1636 | 10.1107/S0108270193011291 | 0.7093 | MoKα | null | 0.054 | null | null | 0.059 | null | null | null | null | 1.71 | 1.71 | null | null | null | has coordinates | Majeste, R.J.; Poindexter, D.; Jones, L.; Klein, C.L.
2'-Hydroxy-5,9-dimethyl-2-(3-methyl-2-butenyl)-6,7-benzomorphan (pentazocine) hydrochloride hydrate
Acta Crystallographica Section C
50(10)
(1994)
1633-1636 | 194,474 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-03-24 12:00:48 +0200 (Fri, 24 Mar 2017) $
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2,010,102 | 8.124 | 0.002 | 8.393 | 0.002 | 10.122 | 0.002 | 78.03 | 0.01 | 78.74 | 0.02 | 64.05 | 0.02 | 602.8 | 0.3 | 294 | null | null | null | null | null | null | null | 6 | P -1 | -P 1 | 2 | nitrilotriacetamide : mercury (II) chloride | - C6 H12 Cl2 Hg N4 O3 - | - C6 H12 Cl2 Hg N4 O3 - | - C12 H24 Cl4 Hg2 N8 O6 - | 2 | 1 | HA1073 | Skrzypczak-Jankun, Ewa; Smith, Douglas A. | Complexes of HgCl~2~ and HgBr~2~ with nitrilotriacetamide | Acta Crystallographica Section C | 1,994 | 50 | 10 | 1585 | 1588 | 10.1107/S0108270193014520 | 0.71073 | MoKα | null | 0.034 | null | null | 0.042 | null | null | null | null | 1.5 | 1.5 | null | null | null | has coordinates | Skrzypczak-Jankun, Ewa; Smith, Douglas A.
Complexes of HgCl~2~ and HgBr~2~ with nitrilotriacetamide
Acta Crystallographica Section C
50(10)
(1994)
1585-1588 | 191,061 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-01-29 14:26:36 +0200 (Sun, 29 Jan 2017) $
#$Revision: 191061 $
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2,010,103 | 8.135 | 0.002 | 8.558 | 0.003 | 10.337 | 0.003 | 78.94 | 0.03 | 78.81 | 0.02 | 64.92 | 0.02 | 634.5 | 0.3 | 294 | null | null | null | null | null | null | null | 6 | P -1 | -P 1 | 2 | nitrilotriacetamide : mercury (II) bromide | - C6 H12 Br2 Hg N4 O3 - | - C6 H12 Br2 Hg N4 O3 - | - C12 H24 Br4 Hg2 N8 O6 - | 2 | 1 | HA1073 | Skrzypczak-Jankun, Ewa; Smith, Douglas A. | Complexes of HgCl~2~ and HgBr~2~ with nitrilotriacetamide | Acta Crystallographica Section C | 1,994 | 50 | 10 | 1585 | 1588 | 10.1107/S0108270193014520 | 0.71073 | MoKα | null | 0.045 | null | null | 0.06 | null | null | null | null | 2.24 | 2.24 | null | null | null | has coordinates | Skrzypczak-Jankun, Ewa; Smith, Douglas A.
Complexes of HgCl~2~ and HgBr~2~ with nitrilotriacetamide
Acta Crystallographica Section C
50(10)
(1994)
1585-1588 | 191,061 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-01-29 14:26:36 +0200 (Sun, 29 Jan 2017) $
#$Revision: 191061 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/01/2010103.cif $
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2,010,104 | 6.432 | 0.001 | 14.237 | 0.002 | 23.034 | 0.002 | 90 | null | 90 | null | 90 | null | 2,109.3 | 0.5 | 291 | null | null | null | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | null | - C22 H33 N O4 - | - C22 H33 N O4 - | - C88 H132 N4 O16 - | 4 | 1 | KA1019 | Ngoan Dao, C.; Luger, P.; Ky, P.T.; Kim, V.N.; Dung, N.X. | Tuberostemonine L-G | Acta Crystallographica Section C | 1,994 | 50 | 10 | 1612 | 1615 | 10.1107/S010827019301251X | 1.54092 | CuKα | null | 0.038 | null | null | 0.032 | null | null | null | null | 5.11 | 5.11 | null | null | null | has coordinates | Ngoan Dao, C.; Luger, P.; Ky, P.T.; Kim, V.N.; Dung, N.X.
Tuberostemonine L-G
Acta Crystallographica Section C
50(10)
(1994)
1612-1615 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,105 | 13.875 | 0.004 | 11.701 | 0.003 | 8.289 | 0.002 | 73.85 | 0.02 | 83.6 | 0.02 | 76.86 | 0.03 | 1,257.1 | 0.6 | 298 | null | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C29 H27 N O4 S - | - C29 H27 N O4 S - | - C58 H54 N2 O8 S2 - | 2 | 1 | KA1061 | Urtiaga, M.K.; Arriortua, M.I.; Badía, D.; Domínguez, E.; González Cameno, A.M.; Solans, X. | Benzyl 2-[<i>N</i>-benzyl-<i>N</i>-(<i>p</i>-toluenesulfonyl)amino]-2-phenylacetate and its α-amino acid | Acta Crystallographica Section C | 1,994 | 50 | 10 | 1604 | 1608 | 10.1107/S0108270194002829 | 0.71069 | MoKα | null | 0.061 | null | null | 0.057 | null | null | null | null | 1.32 | 1.32 | null | null | null | has coordinates | Urtiaga, M.K.; Arriortua, M.I.; Badía, D.; Domínguez, E.; González Cameno, A.M.; Solans, X.
Benzyl 2-[<i>N</i>-benzyl-<i>N</i>-(<i>p</i>-toluenesulfonyl)amino]-2-phenylacetate and its α-amino acid
Acta Crystallographica Section C
50(10)
(1994)
1604-1608 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,106 | 13.801 | 0.003 | 12.307 | 0.003 | 6.417 | 0.002 | 76.74 | 0.02 | 82.18 | 0.02 | 72.84 | 0.03 | 1,010.9 | 0.5 | 298 | null | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C22 H21 N O4 S - | - C22 H21 N O4 S - | - C44 H42 N2 O8 S2 - | 2 | 1 | KA1061 | Urtiaga, M.K.; Arriortua, M.I.; Badía, D.; Domínguez, E.; González Cameno, A.M.; Solans, X. | Benzyl 2-[<i>N</i>-benzyl-<i>N</i>-(<i>p</i>-toluenesulfonyl)amino]-2-phenylacetate and its α-amino acid | Acta Crystallographica Section C | 1,994 | 50 | 10 | 1604 | 1608 | 10.1107/S0108270194002829 | 0.71069 | MoKα | null | 0.051 | null | null | 0.053 | null | null | null | null | 1.17 | 1.17 | null | null | null | has coordinates | Urtiaga, M.K.; Arriortua, M.I.; Badía, D.; Domínguez, E.; González Cameno, A.M.; Solans, X.
Benzyl 2-[<i>N</i>-benzyl-<i>N</i>-(<i>p</i>-toluenesulfonyl)amino]-2-phenylacetate and its α-amino acid
Acta Crystallographica Section C
50(10)
(1994)
1604-1608 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,107 | 14.174 | 0.003 | 12.132 | 0.002 | 3.828 | 0.001 | 90 | null | 90 | null | 90 | null | 658.3 | 0.2 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P n a 21 | P 2c -2n | 33 | γ-resorcylic acid | 2,6-Dihydroxybenzoic Acid | - C7 H6 O4 - | - C7 H6 O4 - | - C28 H24 O16 - | 4 | 1 | KA1067 | Gdaniec, M.; Gilski, M.; Denisov, G.S. | γ-Resorcylic acid, its monohydrate and its pyridinium complex | Acta Crystallographica Section C | 1,994 | 50 | 10 | 1622 | 1626 | 10.1107/S0108270194000557 | 1.54178 | CuKα | 0.0351 | 0.0326 | null | 0.0915 | 0.0901 | null | null | null | 1.157 | 1.189 | 1.189 | null | null | null | has coordinates | Gdaniec, M.; Gilski, M.; Denisov, G.S.
γ-Resorcylic acid, its monohydrate and its pyridinium complex
Acta Crystallographica Section C
50(10)
(1994)
1622-1626 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,108 | 6.778 | 0.001 | 9.411 | 0.001 | 11.89 | 0.002 | 90 | null | 90 | null | 90 | null | 758.44 | 0.19 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P n m a | -P 2ac 2n | 62 | γ-resorcylic acid hydrate | 2,6-Dihydroxybenzoic Acid Hydrate | - C7 H8 O5 - | - C7 H8 O5 - | - C28 H32 O20 - | 4 | 0.5 | KA1067 | Gdaniec, M.; Gilski, M.; Denisov, G.S. | γ-Resorcylic acid, its monohydrate and its pyridinium complex | Acta Crystallographica Section C | 1,994 | 50 | 10 | 1622 | 1626 | 10.1107/S0108270194000557 | 1.54178 | CuKα | 0.0704 | 0.0652 | null | 0.1558 | 0.1544 | null | null | null | 1.164 | 1.235 | 1.235 | null | null | null | has coordinates | Gdaniec, M.; Gilski, M.; Denisov, G.S.
γ-Resorcylic acid, its monohydrate and its pyridinium complex
Acta Crystallographica Section C
50(10)
(1994)
1622-1626 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
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2,010,109 | 8.206 | 0.002 | 10.182 | 0.002 | 13.313 | 0.003 | 90 | null | 100.94 | 0.03 | 90 | null | 1,092.1 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | Pyridinium 2,6-Dihydroxybenzoate | - C12 H11 N O4 - | - C12 H11 N O4 - | - C48 H44 N4 O16 - | 4 | 1 | KA1067 | Gdaniec, M.; Gilski, M.; Denisov, G.S. | γ-Resorcylic acid, its monohydrate and its pyridinium complex | Acta Crystallographica Section C | 1,994 | 50 | 10 | 1622 | 1626 | 10.1107/S0108270194000557 | 1.54178 | CuKα | 0.0706 | 0.0412 | null | 0.1148 | 0.1047 | null | null | null | 1.064 | 1.193 | 1.193 | null | null | null | has coordinates | Gdaniec, M.; Gilski, M.; Denisov, G.S.
γ-Resorcylic acid, its monohydrate and its pyridinium complex
Acta Crystallographica Section C
50(10)
(1994)
1622-1626 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,110 | 12.218 | 0.002 | 12.218 | 0.002 | 12.218 | 0.002 | 86.01 | 0.01 | 86.01 | 0.01 | 86.01 | 0.01 | 1,811.2 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 7 | R -3 :R | -P 3* | 148 | Bis[tris(2,2'-bipyridine)nickel(II)] tris(dicyanoargentate(I) chloride nonahydrate | - C66 H66 Ag3 Cl N18 Ni2 O9 - | - C66 H48 Ag3 Cl0.96 N18 Ni2 O9 - | - C66 H48 Ag3 Cl0.96 N18 Ni2 O9 - | 1 | 0.166667 | KA1082 | Černák, Juraj; Kaňuchová, Mária; Chomič, Jozef; Potočňák, Ivan; Kameníček, Jiří; Žák, Zdirad | Bis[tris(bipyridine)nickel(II)] tris[dicyanoargentate(I)] chloride <i>n</i>-hydrate (<i>n</i> = 9) | Acta Crystallographica Section C | 1,994 | 50 | 10 | 1563 | 1566 | 10.1107/S0108270194005500 | 0.71069 | MoKα | 0.1168 | 0.0383 | null | 0.1318 | 0.1121 | null | null | null | 0.943 | 1.164 | 1.164 | null | null | null | has coordinates | Černák, Juraj; Kaňuchová, Mária; Chomič, Jozef; Potočňák, Ivan; Kameníček, Jiří; Žák, Zdirad
Bis[tris(bipyridine)nickel(II)] tris[dicyanoargentate(I)] chloride <i>n</i>-hydrate (<i>n</i> = 9)
Acta Crystallographica Section C
50(10)
(1994)
1563-1566 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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2,010,111 | 9.68 | 0.001 | 13.552 | 0.002 | 17.794 | 0.003 | 90 | null | 100.36 | 0.01 | 90 | null | 2,296.2 | 0.6 | 298 | null | null | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | null | - C28 H24 Fe Sn - | - C28 H24 Fe Sn - | - C112 H96 Fe4 Sn4 - | 4 | 1 | LI1082 | Yamin, B.M.; Fun, H.-K.; Yip, B.-C.; Shawkataly, O.B.; Teoh, S.-G. | Triphenylstannylferrocene and 1,1'-bis(triphenylstannyl)ferrocene | Acta Crystallographica Section C | 1,994 | 50 | 10 | 1551 | 1555 | 10.1107/S0108270194002490 | 0.7107 | MoKα | null | 0.0241 | null | null | 0.0244 | null | null | null | null | 1.2 | 1.2 | null | null | null | has coordinates | Yamin, B.M.; Fun, H.-K.; Yip, B.-C.; Shawkataly, O.B.; Teoh, S.-G.
Triphenylstannylferrocene and 1,1'-bis(triphenylstannyl)ferrocene
Acta Crystallographica Section C
50(10)
(1994)
1551-1555 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
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2,010,112 | 10.86 | 0.002 | 11.497 | 0.003 | 15.868 | 0.003 | 85.86 | 0.02 | 81.56 | 0.02 | 84.59 | 0.02 | 1,947.6 | 0.7 | 298 | null | null | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C46 H38 Fe Sn2 - | - C46 H38 Fe Sn2 - | - C92 H76 Fe2 Sn4 - | 2 | 1 | LI1082 | Yamin, B.M.; Fun, H.-K.; Yip, B.-C.; Shawkataly, O.B.; Teoh, S.-G. | Triphenylstannylferrocene and 1,1'-bis(triphenylstannyl)ferrocene | Acta Crystallographica Section C | 1,994 | 50 | 10 | 1551 | 1555 | 10.1107/S0108270194002490 | 0.7107 | MoKα | null | 0.0289 | null | null | 0.0273 | null | null | null | null | 1.05 | 1.05 | null | null | null | has coordinates | Yamin, B.M.; Fun, H.-K.; Yip, B.-C.; Shawkataly, O.B.; Teoh, S.-G.
Triphenylstannylferrocene and 1,1'-bis(triphenylstannyl)ferrocene
Acta Crystallographica Section C
50(10)
(1994)
1551-1555 | 278,247 | 2022-09-28 | 15:09:32 | #------------------------------------------------------------------------------
#$Date: 2022-09-28 18:08:17 +0300 (Wed, 28 Sep 2022) $
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2,010,113 | 9.078 | 0.002 | 7.518 | 0.005 | 9.78 | 0.002 | 90 | null | 112.71 | 0.01 | 90 | null | 615.7 | 0.5 | 290 | null | null | null | null | null | null | null | 5 | P 1 21 1 | P 2yb | 4 | - C9 H11 Cl N6 O2 - | - C9 H11 Cl N6 O2 - | - C18 H22 Cl2 N12 O4 - | 2 | 1 | LI1090 | Lowe, P.R.; Schwalbe, C.H. | DCMCIT, an analogue of the antitumour drugs mitozolomide and temozolomide | Acta Crystallographica Section C | 1,994 | 50 | 10 | 1629 | 1631 | 10.1107/S0108270194002507 | 0.71069 | MoKα | null | 0.0345 | null | null | 0.0405 | null | null | null | null | 0.8 | 0.8 | null | null | null | has coordinates | Lowe, P.R.; Schwalbe, C.H.
DCMCIT, an analogue of the antitumour drugs mitozolomide and temozolomide
Acta Crystallographica Section C
50(10)
(1994)
1629-1631 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/01/2010113.cif $
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2,010,114 | 19.749 | 0.003 | 3.9355 | 0.0005 | 15.649 | 0.002 | 90 | null | 101.66 | 0.01 | 90 | null | 1,191.2 | 0.3 | 150 | null | null | null | null | null | null | null | 3 | C 1 2/c 1 | -C 2yc | 15 | - C6 H8 O2 - | - C6 H8 O2 - | - C48 H64 O16 - | 8 | 1 | LI1092 | Cox, P.J. | Sorbic acid | Acta Crystallographica Section C | 1,994 | 50 | 10 | 1620 | 1622 | 10.1107/S0108270194002891 | 0.71069 | MoKα | null | null | null | null | 0.096 | null | null | null | null | 0.508 | 0.508 | null | null | null | has coordinates | Cox, P.J.
Sorbic acid
Acta Crystallographica Section C
50(10)
(1994)
1620-1622 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,115 | 10.052 | 0.005 | 17.349 | 0.008 | 8.518 | 0.005 | 90 | null | 109.5 | 0.1 | 90 | null | 1,400.3 | 1.5 | 293 | null | null | null | null | null | null | null | 6 | P 1 21 1 | P 2yb | 4 | - C12 H18 Cl N O2 Ru - | - C12 H18 Cl N O2 Ru - | - C48 H72 Cl4 N4 O8 Ru4 - | 4 | 2 | MU1096 | Carter, L.C.; Davies, D.L.; Duffy, K.T.; Fawcett, J.; Russell, D.R. | [(η^6^-C~6~H~3~Me~3~)Ru(<small>L</small>-Ala)Cl] | Acta Crystallographica Section C | 1,994 | 50 | 10 | 1559 | 1561 | 10.1107/S0108270194006220 | 0.71073 | MoKα | null | 0.0492 | null | null | 0.0522 | null | null | null | null | null | null | null | null | null | has coordinates | Carter, L.C.; Davies, D.L.; Duffy, K.T.; Fawcett, J.; Russell, D.R.
[(η^6^-C~6~H~3~Me~3~)Ru(<small>L</small>-Ala)Cl]
Acta Crystallographica Section C
50(10)
(1994)
1559-1561 | 176,432 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
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2,010,116 | 13.113 | 0.001 | 5.351 | 0.002 | 18.757 | 0.002 | 90 | null | 109.54 | 0.01 | 90 | null | 1,240.3 | 0.5 | 298 | 2 | null | null | null | null | null | null | 5 | P 1 21/a 1 | -P 2yab | 14 | - C18 H26 Co N4 O16 - | - C18 H26 Co N4 O16 - | - C36 H52 Co2 N8 O32 - | 2 | 0.5 | MU1099 | Saladini, Monica | <i>trans</i>-Tetraaquabis(<i>p</i>-nitrohippurato)cobalt(II) dihydrate | Acta Crystallographica Section C | 1,994 | 50 | 10 | 1561 | 1563 | 10.1107/S0108270194001769 | 0.71069 | MoKα | null | 0.04 | null | null | 0.041 | null | null | null | null | null | null | null | null | null | has coordinates | Saladini, Monica
<i>trans</i>-Tetraaquabis(<i>p</i>-nitrohippurato)cobalt(II) dihydrate
Acta Crystallographica Section C
50(10)
(1994)
1561-1563 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/01/2010116.cif $
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2,010,117 | 6.39 | 0.003 | 7.521 | 0.004 | 13.842 | 0.004 | 94.37 | 0.05 | 99.82 | 0.03 | 112.22 | 0.05 | 599.5 | 0.5 | 296 | 1 | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C22 H18 Cr2 Hg O10 - | - C22 H18 Cr2 Hg O10 - | - C22 H18 Cr2 Hg O10 - | 1 | 0.5 | MU1112 | Song, L.-C.; Hu, Q.-M.; Wang, R.-J.; Wang, H.-G. | Bis[(tricarbonyl)(η^5^-ethoxycarbonylcyclopentadienyl)chromio]mercury | Acta Crystallographica Section C | 1,994 | 50 | 10 | 1592 | 1594 | 10.1107/S0108270194005597 | 0.71073 | MoKα | null | 0.08 | null | null | 0.088 | null | null | null | null | 3.02 | 3.02 | null | null | null | has coordinates | Song, L.-C.; Hu, Q.-M.; Wang, R.-J.; Wang, H.-G.
Bis[(tricarbonyl)(η^5^-ethoxycarbonylcyclopentadienyl)chromio]mercury
Acta Crystallographica Section C
50(10)
(1994)
1592-1594 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/01/2010117.cif $
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2,010,118 | 8.369 | 0.008 | 8.899 | 0.007 | 9.501 | 0.012 | 96.4 | 0.08 | 114.53 | 0.09 | 115.5 | 0.06 | 543.5 | 1.3 | 230 | 2 | 230 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | Di-μ-fluoro-bis[bis(N,N-dimethylformamide)trifluorozirconium(IV)] | - C12 H28 F8 N4 O4 Zr2 - | - C12 H28 F8 N4 O4 Zr2 - | - C12 H28 F8 N4 O4 Zr2 - | 1 | 0.5 | MU1124 | Errington, William; Ismail, Matthew A. | Di-μ-fluoro-bis[bis(<i>N</i>,<i>N</i>-dimethylformamide)trifluorozirconium(IV)] | Acta Crystallographica Section C | 1,994 | 50 | 10 | 1540 | 1541 | 10.1107/S0108270194005974 | 0.71073 | MoKα | 0.0408 | 0.0382 | null | 0.1163 | 0.1115 | null | null | null | 1.048 | 1.064 | 1.064 | null | null | null | has coordinates | Errington, William; Ismail, Matthew A.
Di-μ-fluoro-bis[bis(<i>N</i>,<i>N</i>-dimethylformamide)trifluorozirconium(IV)]
Acta Crystallographica Section C
50(10)
(1994)
1540-1541 | 219,800 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2019-10-28 09:23:29 +0200 (Mon, 28 Oct 2019) $
#$Revision: 219800 $
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2,010,119 | 12.596 | 0.004 | 4.831 | 0.002 | 16.153 | 0.006 | 90 | null | 96.57 | 0.05 | 90 | null | 976.5 | 0.6 | 300 | null | null | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | - C10 H9 Br O3 - | - C10 H8 Br O3 - | - C40 H32 Br4 O12 - | 4 | 1 | PA1083 | Benmenni, L.; Eydoux, F.; Reglier, M. | <i>trans</i>-2-Bromo-5,6-methylenedioxy-1-indanol | Acta Crystallographica Section C | 1,994 | 50 | 10 | 1636 | 1638 | 10.1107/S0108270194001666 | 0.71069 | MoKα | null | 0.076 | null | null | 0.087 | null | null | null | null | 2.96 | 2.96 | null | null | null | has coordinates | Benmenni, L.; Eydoux, F.; Reglier, M.
<i>trans</i>-2-Bromo-5,6-methylenedioxy-1-indanol
Acta Crystallographica Section C
50(10)
(1994)
1636-1638 | 278,324 | 2022-10-03 | 14:41:53 | #------------------------------------------------------------------------------
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2,010,120 | 7.709 | 0.003 | 7.333 | 0.002 | 10.819 | 0.004 | 98.28 | 0.02 | 119.64 | 0.02 | 113.26 | 0.02 | 442.1 | 0.3 | 292 | null | null | null | null | null | null | null | 7 | P -1 | -P 1 | 2 | - C6 H18 Cl4 N4 O Pt S2 - | - C6 H20 Cl4 N4 O2 Pt S2 - | - C6 H20 Cl4 N4 O2 Pt S2 - | 1 | 0.5 | PA1087 | Nguyen-Huy Dung; Rodier, N.; Viossat, B.; Lancelot, J.C. | Sels de <i>S</i>,<i>S</i>'-(alcane-α,ω-diyle)bis(thiouronium). II. Tétrachloroplatinate(II) de <i>S</i>,<i>S</i>'-(butane-1,4-diyle)bis(thiouronium) monohydrate | Acta Crystallographica Section C | 1,994 | 50 | 10 | 1574 | 1576 | 10.1107/S010827019400168X | 0.7107 | MoKᾱ | null | 0.031 | null | null | 0.039 | null | null | null | null | 1.54 | 1.54 | null | null | null | has coordinates | Nguyen-Huy Dung; Rodier, N.; Viossat, B.; Lancelot, J.C.
Sels de <i>S</i>,<i>S</i>'-(alcane-α,ω-diyle)bis(thiouronium). II. Tétrachloroplatinate(II) de <i>S</i>,<i>S</i>'-(butane-1,4-diyle)bis(thiouronium) monohydrate
Acta Crystallographica Section C
50(10)
(1994)
1574-1576 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
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2,010,121 | 18.752 | 0.003 | 18.37 | 0.003 | 8.471 | 0.002 | 90 | null | 90 | null | 90 | null | 2,918 | 1 | 293 | 2 | null | null | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | 19 | - C30 H36 O9 - | - C32 H46 O9 - | - C128 H184 O36 - | 4 | 1 | SE1032 | Cuny, E.; Lichtenthaler, F.W.; Lindner, H.J. | Molecular geometry of a pyran‒dioxane‒cyclohexane tricycle with linear <i>cis</i>‒<i>trans</i>-fusion of rings | Acta Crystallographica Section C | 1,994 | 50 | 10 | 1599 | 1601 | 10.1107/S0108270193011485 | 1.54178 | CuKα | null | 0.0495 | null | null | 0.1481 | null | null | null | null | 1.076 | 1.076 | null | null | null | has coordinates | Cuny, E.; Lichtenthaler, F.W.; Lindner, H.J.
Molecular geometry of a pyran‒dioxane‒cyclohexane tricycle with linear <i>cis</i>‒<i>trans</i>-fusion of rings
Acta Crystallographica Section C
50(10)
(1994)
1599-1601 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
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2,010,122 | 8.083 | 0.002 | 15.01 | 0.007 | 16.833 | 0.005 | 90 | null | 97.14 | 0.02 | 90 | null | 2,026.4 | 1.2 | 294 | null | 294 | null | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | Hexa(1-Methyl-1,3-Diaza-2,4-Cyclopentadien)-nickel(II)-bis(triiodid) | - C24 H36 I6 N12 Ni - | - C24 H36 I6 N12 Ni - | - C48 H72 I12 N24 Ni2 - | 2 | 0.5 | SE1042 | Tebbe, Karl-Friedrich; Nafepour, Shida | Hexakis(<i>N</i>-methylimidazol)-nickel(II)-bis(triiodid), [Ni(C~4~H~6~N~2~)~6~](I~3~)~2~ | Acta Crystallographica Section C | 1,994 | 50 | 10 | 1566 | 1569 | 10.1107/S0108270194000867 | 0.71069 | MoKα | 0.0877 | 0.048 | null | 0.0567 | 0.0475 | null | null | null | 1.5819 | 1.655 | 1.655 | null | null | null | has coordinates | Tebbe, Karl-Friedrich; Nafepour, Shida
Hexakis(<i>N</i>-methylimidazol)-nickel(II)-bis(triiodid), [Ni(C~4~H~6~N~2~)~6~](I~3~)~2~
Acta Crystallographica Section C
50(10)
(1994)
1566-1569 | 191,032 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-01-27 16:38:21 +0200 (Fri, 27 Jan 2017) $
#$Revision: 191032 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/01/2010122.cif $
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2,010,123 | 9.056 | 0.001 | 25.475 | 0.006 | 7.309 | 0.001 | 90 | null | 91.79 | 0.01 | 90 | null | 1,685.4 | 0.5 | 293 | null | 293 | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | bis((μ^2^-Chloro)-(ν^4^-cis,cis-1,5-cyclo-octadiene)-Rhodium(I)) | - C16 H24 Cl2 Rh2 - | - C16 H24 Cl2 M4 Rh2 - | - C64 H96 Cl8 M16 Rh8 - | 4 | 1 | SH1088 | De Ridder, Dirk J.A.; Imhoff, Pieter | Di-μ-chloro-bis[(<i>cis</i>,<i>cis</i>-η^4^-1,5-cyclooctadiene)rhodium(I)]: a redetermination | Acta Crystallographica Section C | 1,994 | 50 | 10 | 1569 | 1572 | 10.1107/S0108270194001459 | 0.71069 | MoKα | 0.075 | 0.038 | null | 0.091 | 0.063 | null | null | null | 1.239 | 1.057 | 1.057 | null | null | null | has coordinates | De Ridder, Dirk J.A.; Imhoff, Pieter
Di-μ-chloro-bis[(<i>cis</i>,<i>cis</i>-η^4^-1,5-cyclooctadiene)rhodium(I)]: a redetermination
Acta Crystallographica Section C
50(10)
(1994)
1569-1572 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
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2,010,124 | 13.564 | 0.001 | 16.812 | 0.002 | 22.887 | 0.002 | 90 | null | 106.25 | 0.01 | 90 | null | 5,010.6 | 0.9 | 153 | 2 | 153 | 2 | null | null | null | null | 7 | C 1 2/c 1 | -C 2yc | 15 | tetraisopropyl (bromo)(chloro)(methyl)stannylmethylmethanediphosphonate | - C15 H34 Br Cl O6 P2 Sn - | - C15 H34 Br Cl O6 P2 Sn - | - C120 H272 Br8 Cl8 O48 P16 Sn8 - | 8 | 1 | SH1099 | Freitag, Stefanie; Herbst-Irmer, Regine; Richter, Frank U.; Weichmann, Horst | Tetraisopropyl 2-[(bromo)(chloro)(methyl)stannyl]-1,1-ethanediphosphonate at 153 K | Acta Crystallographica Section C | 1,994 | 50 | 10 | 1588 | 1590 | 10.1107/S0108270194004105 | 0.71073 | MoKα | 0.0435 | 0.032 | null | 0.0804 | 0.0705 | null | null | null | 1.097 | 1.077 | 1.077 | null | null | null | has coordinates,has disorder | Freitag, Stefanie; Herbst-Irmer, Regine; Richter, Frank U.; Weichmann, Horst
Tetraisopropyl 2-[(bromo)(chloro)(methyl)stannyl]-1,1-ethanediphosphonate at 153 K
Acta Crystallographica Section C
50(10)
(1994)
1588-1590 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/01/2010124.cif $
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2,010,125 | 8.053 | 0.003 | 13.955 | 0.002 | 14.843 | 0.006 | 90 | null | 97.12 | 0.02 | 90 | null | 1,655.2 | 0.9 | 290 | null | null | null | null | null | null | null | 7 | P 1 21/n 1 | -P 2yn | 14 | - C16 H12 F6 Fe N O2 P - | - C16 H12 F6 Fe N O2 P - | - C64 H48 F24 Fe4 N4 O8 P4 - | 4 | 1 | ST1084 | Piórko, A.; Christie, S.; Zaworotko, M.J. | [(5a,6,7,8,9,9a-η^6^)-[1,4]Benzodioxino[2,3-<i>b</i>]pyridine](η^5^-cyclopentadienyl)iron(II) hexafluorophosphate | Acta Crystallographica Section C | 1,994 | 50 | 10 | 1544 | 1545 | 10.1107/S0108270194003288 | 0.7093 | MoKα | null | 0.051 | null | null | 0.046 | null | null | null | null | 2.42 | 2.42 | null | null | null | has coordinates | Piórko, A.; Christie, S.; Zaworotko, M.J.
[(5a,6,7,8,9,9a-η^6^)-[1,4]Benzodioxino[2,3-<i>b</i>]pyridine](η^5^-cyclopentadienyl)iron(II) hexafluorophosphate
Acta Crystallographica Section C
50(10)
(1994)
1544-1545 | 278,324 | 2022-10-03 | 14:41:53 | #------------------------------------------------------------------------------
#$Date: 2022-10-03 17:40:12 +0300 (Mon, 03 Oct 2022) $
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2,010,126 | 12.47 | 0.001 | 5.659 | 0.0006 | 17.7 | 0.002 | 90 | null | 91.43 | 0.09 | 90 | null | 1,248.7 | 0.2 | 287 | 1 | null | null | null | null | null | null | 4 | C 1 2 1 | C 2y | null | - C10 H13 N5 O5 - | - C10 H11 N5 O5 - | - C40 H44 N20 O20 - | 4 | 1 | ST1088 | Li, J.; Kumar, S.V.P.; Stuart, A.L.; Tourigny, G.; Delbaere, L.T.J.; Gupta, S.V. | 3'-Azido-2',3'-dideoxy-5-hydroxymethyluridine | Acta Crystallographica Section C | 1,994 | 50 | 10 | 1626 | 1629 | 10.1107/S0108270194001460 | 1.5418 | CuKα | null | 0.044 | null | null | 0.06 | null | null | null | null | 4.285 | 4.285 | null | null | null | has coordinates | Li, J.; Kumar, S.V.P.; Stuart, A.L.; Tourigny, G.; Delbaere, L.T.J.; Gupta, S.V.
3'-Azido-2',3'-dideoxy-5-hydroxymethyluridine
Acta Crystallographica Section C
50(10)
(1994)
1626-1629 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
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2,010,127 | 7.5238 | 0.0008 | 22.525 | 0.004 | 10.628 | 0.001 | 90 | null | 95.594 | 0.009 | 90 | null | 1,792.6 | 0.4 | 298 | null | null | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | null | - C15 H11 Au I2 S2 - | - C15 H10 Au I2 S2 - | - C60 H40 Au4 I8 S8 - | 4 | 1 | ST1091 | Staples, R.J.; Wang, S.; Fackler, J.P.Jr | 3,5-Diphenyl-1,2-dithiolium diiodoauride(I) | Acta Crystallographica Section C | 1,994 | 50 | 10 | 1580 | 1582 | 10.1107/S0108270194000582 | 0.71073 | MoKα | null | 0.0307 | null | null | 0.0336 | null | null | null | null | 1.01 | 1.01 | null | null | null | has coordinates | Staples, R.J.; Wang, S.; Fackler, J.P.Jr
3,5-Diphenyl-1,2-dithiolium diiodoauride(I)
Acta Crystallographica Section C
50(10)
(1994)
1580-1582 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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2,010,128 | 21.1 | 0.007 | 12.922 | 0.003 | 10.067 | 0.003 | 90 | null | 105.79 | 0.03 | 90 | null | 2,641.2 | 1.4 | 298 | null | null | null | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | null | - H16 K2 Mo6 O29 Pt - | - K3 Mo6 O29 Pt - | - K12 Mo24 O116 Pt4 - | 4 | 0.5 | AB1113 | Lee, U. | Dipotassium hexahydrogen-α-hexamolybdoplatinate(IV) pentahydrate, K~2~[H~6~α-PtMo~6~O~24~].5H~2~O | Acta Crystallographica Section C | 1,994 | 50 | 11 | 1657 | 1659 | 10.1107/S0108270194001484 | 0.71069 | MoKα | null | 0.055 | null | null | 0.055 | null | null | null | null | 3.26 | 3.26 | null | null | null | has coordinates | Lee, U.
Dipotassium hexahydrogen-α-hexamolybdoplatinate(IV) pentahydrate, K~2~[H~6~α-PtMo~6~O~24~].5H~2~O
Acta Crystallographica Section C
50(11)
(1994)
1657-1659 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
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2,010,129 | 8.524 | 0.001 | 16.607 | 0.002 | 16.209 | 0.001 | 90 | null | 99.66 | 0.01 | 90 | null | 2,262 | 0.4 | 290 | null | null | null | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | - C22 H66 Cl4 N18 P6 Pt - | - C22 H54 Cl4 N18 P6 Pt - | - C44 H108 Cl8 N36 P12 Pt2 - | 2 | 0.5 | AB1134 | Chandrasekaran, A. | A salt of a protonated (amino)spirocyclic cyclotriphosphazene | Acta Crystallographica Section C | 1,994 | 50 | 11 | 1692 | 1694 | 10.1107/S0108270194003859 | 0.71069 | MoKα | null | 0.038 | null | null | 0.0483 | null | null | null | null | 1.578 | 1.578 | null | null | null | has coordinates | Chandrasekaran, A.
A salt of a protonated (amino)spirocyclic cyclotriphosphazene
Acta Crystallographica Section C
50(11)
(1994)
1692-1694 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
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2,010,130 | 11.623 | 0.003 | 7.432 | 0.002 | 21.197 | 0.005 | 90 | null | 102.86 | 0.02 | 90 | null | 1,785.1 | 0.8 | 105 | 2 | 105 | 2 | null | null | null | null | 4 | P 1 2/n 1 | -P 2yac | 13 | Ethoxycarbonylcholine Picrate Hemihydrate | Ethoxycarbonylcholine Picrate Hemihydrate | - C14 H21 N4 O10.5 - | - C14 H21 N4 O10.5 - | - C56 H84 N16 O42 - | 4 | 1 | AB1157 | Frydenvang, Karla; Trickey, Peter; Jensen, Birthe | Ethoxycarbonylcholine picrate hemihydrate | Acta Crystallographica Section C | 1,994 | 50 | 11 | 1839 | 1841 | 10.1107/S0108270194002921 | 0.71073 | MoKα | 0.0672 | 0.0458 | null | 0.1287 | 0.1073 | null | null | null | 1.116 | 1.096 | 1.096 | null | null | null | has coordinates | Frydenvang, Karla; Trickey, Peter; Jensen, Birthe
Ethoxycarbonylcholine picrate hemihydrate
Acta Crystallographica Section C
50(11)
(1994)
1839-1841 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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2,010,131 | 10.016 | 0.007 | 10.734 | 0.01 | 11.348 | 0.009 | 102.52 | 0.07 | 104.16 | 0.06 | 112.1 | 0.06 | 1,029.3 | 1.7 | 170 | 1 | null | null | null | null | null | null | 3 | P -1 | -P 1 | 2 | - C25 H22 Pb - | - C25 H22 Pb - | - C50 H44 Pb2 - | 2 | 1 | AB1158 | Fahrenkampf, U.; Schürmann, M.; Huber, F. | Benzyltriphenyllead and dibenzyldiphenyllead | Acta Crystallographica Section C | 1,994 | 50 | 11 | 1707 | 1710 | 10.1107/S0108270194005032 | 0.71073 | MoKα | null | 0.0368 | null | null | 0.0901 | null | null | null | null | 1.05 | 1.05 | null | null | null | has coordinates | Fahrenkampf, U.; Schürmann, M.; Huber, F.
Benzyltriphenyllead and dibenzyldiphenyllead
Acta Crystallographica Section C
50(11)
(1994)
1707-1710 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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2,010,132 | 13.452 | 0.012 | 10.974 | 0.008 | 14.487 | 0.01 | 90 | null | 96.39 | 0.06 | 90 | null | 2,125 | 3 | 170 | 1 | null | null | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | - C26 H24 Pb - | - C26 H24 Pb - | - C104 H96 Pb4 - | 4 | 1 | AB1158 | Fahrenkampf, U.; Schürmann, M.; Huber, F. | Benzyltriphenyllead and dibenzyldiphenyllead | Acta Crystallographica Section C | 1,994 | 50 | 11 | 1707 | 1710 | 10.1107/S0108270194005032 | 0.71073 | MoKα | null | 0.0399 | null | null | 0.0962 | null | null | null | null | 1.05 | 1.05 | null | null | null | has coordinates | Fahrenkampf, U.; Schürmann, M.; Huber, F.
Benzyltriphenyllead and dibenzyldiphenyllead
Acta Crystallographica Section C
50(11)
(1994)
1707-1710 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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2,010,133 | 12.923 | 0.002 | 7.5697 | 0.0011 | 13.743 | 0.002 | 90 | null | 113.749 | 0.012 | 90 | null | 1,230.5 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | 6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl-(1',2',3',4'-tetraacetoxy)- butane-2-oxide | - C23 H29 N O11 - | - C23 H30 N O11 - | - C46 H60 N2 O22 - | 2 | 1 | AB1162 | Czarnocki, Zbigniew; Maurin, Jan K.; Winnicka-Maurin, Małgorzata | Enantioselective synthesis of isoquinoline alkaloids from simple sugar. II. Structure of 1-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-1,2,3,4-butanetetrayl tetraacetate <i>N</i>-oxide | Acta Crystallographica Section C | 1,994 | 50 | 11 | 1779 | 1781 | 10.1107/S0108270194003094 | 1.5418 | CuKα | 0.0538 | 0.0515 | null | 0.1471 | 0.1439 | null | null | null | 1.03 | 1.043 | 1.043 | null | null | null | has coordinates | Czarnocki, Zbigniew; Maurin, Jan K.; Winnicka-Maurin, Małgorzata
Enantioselective synthesis of isoquinoline alkaloids from simple sugar. II. Structure of 1-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-1,2,3,4-butanetetrayl tetraacetate <i>N</i>-oxide
Acta Crystallographica Section C
50(11)
(1994)
1779-1781 | 176,432 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
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2,010,134 | 12.226 | 0.003 | 16.873 | 0.003 | 18.401 | 0.004 | 90 | null | 90 | null | 90 | null | 3,795.9 | 1.4 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P b c a | -P 2ac 2ab | 61 | eq-tert-butylnitrile-1κN-nonacarbonyl-1κ^4^C,2κ^5^C-manganeserhenium(Mn-Re) | - C14 H9 Mn N O9 Re - | - C14 Mn N O9 Re - | - C112 Mn8 N8 O72 Re8 - | 8 | 1 | AB1171 | Beckers, Hans-Günther; Flörke, Ulrich; Haupt, Hans-Jürgen | Nonacarbonyl-1κ^4^<i>C</i>,2κ^5^<i>C</i>-pivalonitrile-1κ<i>N</i>-manganeserhenium(<i>Mn</i>‒<i>Re</i>): unsymmetrical distortions of equatorial carbonyl ligands | Acta Crystallographica Section C | 1,994 | 50 | 11 | 1671 | 1673 | 10.1107/S0108270194003318 | 0.71073 | MoKα | 0.0883 | 0.0505 | null | 0.1492 | 0.1223 | null | null | null | 1.037 | 1.071 | 1.071 | null | null | null | has coordinates | Beckers, Hans-Günther; Flörke, Ulrich; Haupt, Hans-Jürgen
Nonacarbonyl-1κ^4^<i>C</i>,2κ^5^<i>C</i>-pivalonitrile-1κ<i>N</i>-manganeserhenium(<i>Mn</i>‒<i>Re</i>): unsymmetrical distortions of equatorial carbonyl ligands
Acta Crystallographica Section C
50(11)
(1994)
1671-1673 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
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2,010,135 | 7.781 | 0.003 | 26.726 | 0.009 | 12.781 | 0.008 | 90 | null | 103.71 | 0.04 | 90 | null | 2,582 | 2 | 170 | 1 | 170 | 1 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | Lead(IV) acetate | - C8 H12 O8 Pb - | - C8 H12 O8 Pb - | - C64 H96 O64 Pb8 - | 8 | 2 | AB1189 | Markus Schürmann; Friedo Huber | A redetermination of lead(IV) acetate | Acta Crystallographica Section C | 1,994 | 50 | 11 | 1710 | 1713 | 10.1107/S0108270194006438 | 0.71073 | MoKα | 0.0893 | 0.0585 | null | 0.1786 | 0.1542 | null | null | null | 0.94 | 1.077 | 1.077 | null | null | null | has coordinates | Markus Schürmann; Friedo Huber
A redetermination of lead(IV) acetate
Acta Crystallographica Section C
50(11)
(1994)
1710-1713 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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#$Revision: 176435 $
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2,010,136 | 5.8899 | 0.0006 | 11.7768 | 0.0012 | 15.2335 | 0.0016 | 72.611 | 0.009 | 88.277 | 0.012 | 82.632 | 0.012 | 1,000 | 0.19 | 293 | null | 293 | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | 4,4-Dimethyl-3-oxo-2-pivaloylpentylferrocene | - C22 H30 Fe O2 - | - C22 H30 Fe O2 - | - C44 H60 Fe2 O4 - | 2 | 1 | AB1202 | Ferguson, George; Glidewell, Christopher; Zakaria, Choudhury M. | 4-(Ferrocenylmethyl)-2,2,6,6-tetramethyl-3,5-heptanedione, a non-enolized 1,3-diketone | Acta Crystallographica Section C | 1,994 | 50 | 11 | 1673 | 1676 | 10.1107/S0108270194008486 | 0.71067 | MoKα | 0.0397 | 0.03 | null | 0.0837 | 0.0805 | null | null | null | 1.057 | 1.113 | 1.113 | null | null | null | has coordinates,has disorder | Ferguson, George; Glidewell, Christopher; Zakaria, Choudhury M.
4-(Ferrocenylmethyl)-2,2,6,6-tetramethyl-3,5-heptanedione, a non-enolized 1,3-diketone
Acta Crystallographica Section C
50(11)
(1994)
1673-1676 | 192,290 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-02-19 19:29:55 +0200 (Sun, 19 Feb 2017) $
#$Revision: 192290 $
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2,010,137 | 12.307 | 0.002 | 8.305 | null | 12.516 | 0.002 | 90 | null | 108.29 | 0.05 | 90 | null | 1,214.6 | 0.4 | null | null | null | null | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | - C12 H15 N O2 S - | - C12 H15 N O2 S - | - C48 H60 N4 O8 S4 - | 4 | 1 | AL0566 | Gibon, V.; Evrard, G.; Vercauteren, D.P.; Durant, F. | Molecular structure and electronic properties of a 1-sulfonylindolizine derivative, 2-isopropyl-1-methylsulfonylindolizine | Acta Crystallographica Section C | 1,994 | 50 | 11 | 1749 | 1753 | 10.1107/S0108270194000776 | 1.54178 | CuKα | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Gibon, V.; Evrard, G.; Vercauteren, D.P.; Durant, F.
Molecular structure and electronic properties of a 1-sulfonylindolizine derivative, 2-isopropyl-1-methylsulfonylindolizine
Acta Crystallographica Section C
50(11)
(1994)
1749-1753 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,138 | 8.217 | 0.003 | 8.477 | 0.005 | 12.045 | 0.003 | 99.16 | 0.03 | 104.23 | 0.02 | 95.41 | 0.05 | 795 | 0.6 | 298 | null | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | 6-bromo-1,4-dihydro-1,4-di(o-tolyl)-1,2,4,5-tetrazin-3(2H)one | - C16 H15 Br N4 O - | - C16 H15 Br N4 O - | - C32 H30 Br2 N8 O2 - | 2 | 1 | AL1011 | Ueng, C.-H.; Wang, Y.; Yeh, M.-Y. | Two heterocyclic 1,2,4,5-tetrazines | Acta Crystallographica Section C | 1,994 | 50 | 11 | 1781 | 1784 | 10.1107/S0108270194002192 | 0.7107 | MoKα | null | 0.044 | null | null | 0.026 | null | null | null | null | 1.77 | 1.77 | null | null | null | has coordinates | Ueng, C.-H.; Wang, Y.; Yeh, M.-Y.
Two heterocyclic 1,2,4,5-tetrazines
Acta Crystallographica Section C
50(11)
(1994)
1781-1784 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,139 | 18.975 | 0.003 | 10.327 | 0.002 | 8.569 | 0.003 | 90 | null | 90 | null | 90 | null | 1,679.1 | 0.7 | 298 | null | null | null | null | null | null | null | 5 | P b c n | -P 2n 2ab | null | 3,6-dibromo-1,4-dihydro-1,4-di(p-methoxyphenyl)-1,2,4,5-tetrazine | - C16 H14 Br2 N4 O2 - | - C16 H14 Br2 N4 O2 - | - C64 H56 Br8 N16 O8 - | 4 | 0.5 | AL1011 | Ueng, C.-H.; Wang, Y.; Yeh, M.-Y. | Two heterocyclic 1,2,4,5-tetrazines | Acta Crystallographica Section C | 1,994 | 50 | 11 | 1781 | 1784 | 10.1107/S0108270194002192 | 0.7107 | MoKα | null | 0.037 | null | null | 0.028 | null | null | null | null | 2.28 | 2.28 | null | null | null | has coordinates | Ueng, C.-H.; Wang, Y.; Yeh, M.-Y.
Two heterocyclic 1,2,4,5-tetrazines
Acta Crystallographica Section C
50(11)
(1994)
1781-1784 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,140 | 10.831 | 0.001 | 9.723 | 0.002 | 16.087 | 0.002 | 90 | null | 104.07 | 0.01 | 90 | null | 1,643.3 | 0.4 | 295 | null | null | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | null | - C17 H17 N3 O4 - | - C17 H17 N3 O4 - | - C68 H68 N12 O16 - | 4 | 1 | AL1059 | Joshi, K.C.; Bohra, R.; Jain, R.; Arora, S. | Structure of the (2-acetamidobenzoyl)formate anion as the benzamidinium salt | Acta Crystallographica Section C | 1,994 | 50 | 11 | 1792 | 1794 | 10.1107/S0108270193014179 | 0.71069 | MoKα | null | 0.062 | null | null | 0.06 | null | null | null | null | 0.68 | 0.68 | null | null | null | has coordinates | Joshi, K.C.; Bohra, R.; Jain, R.; Arora, S.
Structure of the (2-acetamidobenzoyl)formate anion as the benzamidinium salt
Acta Crystallographica Section C
50(11)
(1994)
1792-1794 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
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2,010,141 | 12.456 | 0.008 | 6.279 | 0.002 | 14.409 | 0.003 | 90 | null | 92.19 | 0.03 | 90 | null | 1,126.1 | 0.8 | 298 | null | null | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | - C14 H15 N O - | - C14 H15 N O - | - C56 H60 N4 O4 - | 4 | 1 | AL1074 | Thiruvalluvar, A.; Parthasarathi, V.; Nagarajan, A.; Pillay, M.K. | 5-Phenyl-3-oxa-4-azatricyclo[5.2.1.0^2,6^]dec-4-ene | Acta Crystallographica Section C | 1,994 | 50 | 11 | 1812 | 1814 | 10.1107/S0108270194001125 | 0.71069 | MoKα | null | 0.076 | null | null | 0.073 | null | null | null | null | 2.49 | 2.49 | null | null | null | has coordinates | Thiruvalluvar, A.; Parthasarathi, V.; Nagarajan, A.; Pillay, M.K.
5-Phenyl-3-oxa-4-azatricyclo[5.2.1.0^2,6^]dec-4-ene
Acta Crystallographica Section C
50(11)
(1994)
1812-1814 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,142 | 18.978 | 0.007 | 10.921 | 0.005 | 19.62 | 0.011 | 90 | null | 105.02 | 0.04 | 90 | null | 3,927 | 3 | 148 | null | null | null | null | null | null | null | 4 | P 1 2/n 1 | -P 2yac | null | - C26 H21 O P - | - C26 H21 O P - | - C208 H168 O8 P8 - | 8 | 2 | AL1075 | Kalyanasundari, M.; Panchanatheswaran, K.; Parthasarathi, V.; Robinson, W.T.; Wen, H. | Benzoylmethylenetriphenylphosphorane, C~26~H~21~OP | Acta Crystallographica Section C | 1,994 | 50 | 11 | 1738 | 1741 | 10.1107/S0108270194001137 | 0.71069 | MoKα | null | 0.0625 | null | null | 0.0476 | null | null | null | null | 1.5726 | 1.5726 | null | null | null | has coordinates | Kalyanasundari, M.; Panchanatheswaran, K.; Parthasarathi, V.; Robinson, W.T.; Wen, H.
Benzoylmethylenetriphenylphosphorane, C~26~H~21~OP
Acta Crystallographica Section C
50(11)
(1994)
1738-1741 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
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2,010,143 | 9.6339 | 0.0004 | 8.7413 | 0.0002 | 5.296 | 0.0003 | 90 | null | 106.905 | 0.002 | 90 | null | 426.72 | 0.03 | 296 | null | null | null | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | 15 | - Na O6 Si2 V - | - Na O6 Si2 V - | - Na4 O24 Si8 V4 - | 4 | 0.5 | AS1073 | Ohashi, Haruo; Osawa, Toshikazu; Sato, Akira | NaVSi~2~O~6~ | Acta Crystallographica Section C | 1,994 | 50 | 11 | 1652 | 1655 | 10.1107/S0108270194004567 | 0.71073 | MoKα | null | 0.017 | null | null | 0.022 | null | null | null | null | 0.8 | 0.8 | null | null | null | has coordinates | Ohashi, Haruo; Osawa, Toshikazu; Sato, Akira
NaVSi~2~O~6~
Acta Crystallographica Section C
50(11)
(1994)
1652-1655 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
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2,010,144 | 44.04 | 0.01 | 14.27 | 0.005 | 5.891 | 0.004 | 90 | null | 90 | null | 90 | null | 3,702 | 3 | 294 | null | null | null | null | null | null | null | 5 | P b c a | -P 2ac 2ab | null | - C22 H15 Br2 N O - | - C22 H15 Br2 N O - | - C176 H120 Br16 N8 O8 - | 8 | 1 | AS1086 | Li, Z.; Su, G.; Huang, X. | 1-[4-(4-Bromobenzylideneamino)phenyl]-3-(4-bromophenyl)-2-propen-1-one | Acta Crystallographica Section C | 1,994 | 50 | 11 | 1788 | 1790 | 10.1107/S0108270194001186 | 0.71069 | MoKα | null | 0.064 | null | null | 0.072 | null | null | null | null | 1.64 | 1.64 | null | null | null | has coordinates | Li, Z.; Su, G.; Huang, X.
1-[4-(4-Bromobenzylideneamino)phenyl]-3-(4-bromophenyl)-2-propen-1-one
Acta Crystallographica Section C
50(11)
(1994)
1788-1790 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/01/2010144.cif $
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2,010,145 | 10.049 | 0.002 | 4.679 | 0.001 | 14.429 | 0.001 | 90 | null | 107.28 | 0.03 | 90 | null | 647.8 | 0.2 | 296 | null | null | null | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | - C12 H15 I O6 - | - C12 H15 I O6 - | - C24 H30 I2 O12 - | 2 | 1 | AS1093 | Banerjee, R.; Das, K.; Ganesh, V.; Banerjee, P.; Surolia, A.; Vijayan, M. | 1-<i>O</i>-(2-Iodophenyl)-β-<small>D</small>-galactopyranose | Acta Crystallographica Section C | 1,994 | 50 | 11 | 1726 | 1728 | 10.1107/S0108270194001836 | 0.7107 | MoKα | null | 0.031 | null | null | 0.035 | null | null | null | null | 0.715 | 0.715 | null | null | null | has coordinates | Banerjee, R.; Das, K.; Ganesh, V.; Banerjee, P.; Surolia, A.; Vijayan, M.
1-<i>O</i>-(2-Iodophenyl)-β-<small>D</small>-galactopyranose
Acta Crystallographica Section C
50(11)
(1994)
1726-1728 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/01/2010145.cif $
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2,010,146 | 9.178 | 0.001 | 11.722 | 0.002 | 16.1 | 0.005 | 90 | null | 90.96 | 0.02 | 90 | null | 1,731.9 | 0.6 | 298 | 3 | null | null | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | - C12 H28 Cl3 Co N4 - | - C12 H32 Cl3 Co N4 - | - C48 H128 Cl12 Co4 N16 - | 4 | 0.5 | AS1107 | Tahirov, T.H.; Lu, T.-H.; Chen, B-H.; Chi, T.-Y.; Chung, C.-S. | <i>cis</i>-Dichloro(<i>C</i>-<i>rac</i>-5,12-dimethyl-1,4,8,11-tetraazacyclotetradecane-<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')cobalt(III) chloride, [CoCl~2~(C~12~H~28~N~4~)]Cl | Acta Crystallographica Section C | 1,994 | 50 | 11 | 1686 | 1687 | 10.1107/S0108270194004610 | 0.71073 | MoKα | null | 0.045 | null | null | 0.049 | null | null | null | null | 1.78 | 1.78 | null | null | null | has coordinates | Tahirov, T.H.; Lu, T.-H.; Chen, B-H.; Chi, T.-Y.; Chung, C.-S.
<i>cis</i>-Dichloro(<i>C</i>-<i>rac</i>-5,12-dimethyl-1,4,8,11-tetraazacyclotetradecane-<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')cobalt(III) chloride, [CoCl~2~(C~12~H~28~N~4~)]Cl
Acta Crystallographica Section C
50(11)
(1994)
1686-1687 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
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2,010,147 | 3.94 | 0.0002 | 8.9766 | 0.0004 | 13.0269 | 0.0008 | 90 | null | 93.578 | 0.004 | 90 | null | 459.83 | 0.04 | 128 | 2 | 128 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | Pseudothiohydantoin | 2-Aminothiazol-4-one | - C3 H4 N2 O S - | - C3 H4 N2 O S - | - C12 H16 N8 O4 S4 - | 4 | 1 | AS1121 | Steel, Peter J.; Guard, James A. M. | Heterocyclic tautomerism. VI. A redetermination and reassignment of the structure of 2-aminothiazol-4(5<i>H</i>)-one (pseudothiohydantoin) | Acta Crystallographica Section C | 1,994 | 50 | 11 | 1721 | 1723 | 10.1107/S0108270194004750 | 0.71073 | MoKα | 0.0221 | 0.0209 | null | 0.0549 | 0.0543 | null | null | null | 1.132 | 1.159 | 1.159 | null | null | null | has coordinates | Steel, Peter J.; Guard, James A. M.
Heterocyclic tautomerism. VI. A redetermination and reassignment of the structure of 2-aminothiazol-4(5<i>H</i>)-one (pseudothiohydantoin)
Acta Crystallographica Section C
50(11)
(1994)
1721-1723 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,148 | 15.818 | 0.002 | 30.39 | 0.001 | 10.5707 | 0.0009 | 90 | null | 90 | null | 90 | null | 5,081.4 | 0.8 | 293 | null | 293 | null | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | endo-(5R,6R,11S,12S)-5,6,11,12-tetrahydro-6-hydroxy-4,11,12-trimethoxy- 9,13,13-trimethyl-5-[(trimethylsilyl)oxy]-6,10-methano-8(7H)- benzocyclodecenone | - C24 H36 O6 Si - | - C24 H36 O6 Si - | - C192 H288 O48 Si8 - | 8 | 2 | AS1124 | Takenaka, Yasuyuki; Kubo, Sachiyo; Ohashi, Yuji; Nakamura, Takashi; Waizumi, Nobuaki; Horiguchi, Yoshiaki; Kuwajima, Isao | <i>endo</i>-(5<i>R</i>,6<i>R</i>,11<i>S</i>,12<i>S</i>)-5,6,11,12-Tetrahydro-6-hydroxy-4,11,12-trimethoxy-9,13,13-trimethyl-5-[(trimethylsilyl)oxy]-6,10-methano-8(7<i>H</i>)-benzocyclodecenone | Acta Crystallographica Section C | 1,994 | 50 | 11 | 1820 | 1821 | 10.1107/S0108270194007055 | 1.5418 | CuKα | 0.0958 | 0.058 | null | 0.1726 | 0.147 | null | null | null | 1.054 | 1.131 | 1.131 | null | null | null | has coordinates | Takenaka, Yasuyuki; Kubo, Sachiyo; Ohashi, Yuji; Nakamura, Takashi; Waizumi, Nobuaki; Horiguchi, Yoshiaki; Kuwajima, Isao
<i>endo</i>-(5<i>R</i>,6<i>R</i>,11<i>S</i>,12<i>S</i>)-5,6,11,12-Tetrahydro-6-hydroxy-4,11,12-trimethoxy-9,13,13-trimethyl-5-[(trimethylsilyl)oxy]-6,10-methano-8(7<i>H</i>)-benzocyclodecenone
Acta ... | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
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2,010,149 | 10.104 | 0.002 | 13.479 | 0.003 | 13.835 | 0.003 | 92.679 | 0.01 | 108.491 | 0.01 | 101.262 | 0.01 | 1,740.5 | 0.7 | 113 | 2 | 113 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | (Ozaphyrin)(TCNQ)~1/2~ | - C84 H84 N12 O2 - | - C84 H84 N12 O2 - | - C84 H84 N12 O2 - | 1 | 0.5 | BK1024 | Miller, Douglas C.; Ibers, James A. | (Ozaphyrin)(TCNQ)~1/2~ | Acta Crystallographica Section C | 1,994 | 50 | 11 | 1834 | 1837 | 10.1107/S0108270194002866 | 1.54056 | CuKα | 0.082 | 0.0487 | null | 0.122 | 0.111 | null | null | null | 1.48 | 1.64 | 1.64 | null | null | null | has coordinates | Miller, Douglas C.; Ibers, James A.
(Ozaphyrin)(TCNQ)~1/2~
Acta Crystallographica Section C
50(11)
(1994)
1834-1837 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,150 | 12.377 | 0.001 | 16.977 | 0.002 | 21.583 | 0.002 | 90 | null | 90.401 | 0.008 | 90 | null | 4,535 | 0.8 | 150 | null | 150 | null | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | - C52 H46 Cu N5 O4 P2 - | - C53 H40 Cu N5 O4 P2 - | - C212 H160 Cu4 N20 O16 P8 - | 4 | 1 | BK1053 | Brooks, Kregg T.; Finnen, Daniel C.; Kirchhoff, Jon R.; Pinkerton, A. Alan | [2,3-Di(2-pyridyl)pyrazine-<i>N</i>^1^,<i>N</i>^2^']bis(triphenylphosphine)copper(I) nitrate ethanol solvate | Acta Crystallographica Section C | 1,994 | 50 | 11 | 1696 | 1699 | 10.1107/S0108270194007080 | 0.71073 | MoKα | 0.067 | 0.042 | null | null | 0.053 | null | null | null | null | 1.588 | 1.588 | null | null | null | has coordinates | Brooks, Kregg T.; Finnen, Daniel C.; Kirchhoff, Jon R.; Pinkerton, A. Alan
[2,3-Di(2-pyridyl)pyrazine-<i>N</i>^1^,<i>N</i>^2^']bis(triphenylphosphine)copper(I) nitrate ethanol solvate
Acta Crystallographica Section C
50(11)
(1994)
1696-1699 | 278,324 | 2022-10-03 | 14:41:53 | #------------------------------------------------------------------------------
#$Date: 2022-10-03 17:40:12 +0300 (Mon, 03 Oct 2022) $
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2,010,151 | 8.702 | 0.001 | 9.889 | 0.001 | 23.968 | 0.003 | 90 | null | 90 | null | 90 | null | 2,062.5 | 0.4 | 298 | null | 298 | null | null | null | null | null | 4 | C 2 2 21 | C 2c 2 | 20 | Cadmium Iron Diphosphate | - Cd2.06 Fe1.44 O14 P4 - | - Cd2.5 Fe O14 P4 - | - Cd20 Fe8 O112 P32 - | 8 | 1 | BR1058 | ElBelghitti, Alaoui; Boukhari, Ali; Holt, Elizabeth M. | Cadmium iron(III) iron(II) diphosphate | Acta Crystallographica Section C | 1,994 | 50 | 11 | 1648 | 1650 | 10.1107/S0108270194006967 | 0.71073 | MoKα | null | 0.0489 | null | null | 0.0525 | null | null | null | null | 0.95 | 0.95 | null | null | null | has coordinates | ElBelghitti, Alaoui; Boukhari, Ali; Holt, Elizabeth M.
Cadmium iron(III) iron(II) diphosphate
Acta Crystallographica Section C
50(11)
(1994)
1648-1650 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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2,010,152 | 19.863 | 0.002 | 8.644 | 0.002 | 9.417 | 0.002 | 90 | null | 90 | null | 90 | null | 1,616.9 | 0.5 | 296 | null | null | null | null | null | null | null | 3 | P c a 21 | P 2c -2ac | null | - C18 H20 O4 - | - C18 H20 O4 - | - C72 H80 O16 - | 4 | 1 | BR1059 | Ala, P.; Yang, D.S.C. | 5-Ethoxy-6-[1-(4-methoxyphenyl)ethyl]-1,3-benzodioxole | Acta Crystallographica Section C | 1,994 | 50 | 11 | 1832 | 1834 | 10.1107/S0108270194000016 | 1.54178 | CuKα | null | 0.04 | null | null | 0.047 | null | null | null | null | 1.43 | 1.43 | null | null | null | has coordinates | Ala, P.; Yang, D.S.C.
5-Ethoxy-6-[1-(4-methoxyphenyl)ethyl]-1,3-benzodioxole
Acta Crystallographica Section C
50(11)
(1994)
1832-1834 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,153 | 20.093 | 0.004 | 4.897 | 0.002 | 13.808 | 0.002 | 90 | null | 124.06 | 0.01 | 90 | null | 1,125.6 | 0.6 | 296 | null | null | null | null | null | null | null | 4 | C 1 2 1 | C 2y | null | - C23 H28 N2 O5 - | - C23 H28 N2 O5 - | - C46 H56 N4 O10 - | 2 | 0.5 | BR1060 | Ala, P.; Asante-Appiah, E.; Chan, W. W.; Yang, D. S. C. | <i>N</i>,<i>N</i>'-Carbonylbis(<small>L</small>-phenylalanine ethyl ester) | Acta Crystallographica Section C | 1,994 | 50 | 11 | 1830 | 1832 | 10.1107/S0108270194000028 | 1.54178 | CuKα | null | 0.039 | null | null | 0.049 | null | null | null | null | 1.68 | 1.68 | null | null | null | has coordinates | Ala, P.; Asante-Appiah, E.; Chan, W. W.; Yang, D. S. C.
<i>N</i>,<i>N</i>'-Carbonylbis(<small>L</small>-phenylalanine ethyl ester)
Acta Crystallographica Section C
50(11)
(1994)
1830-1832 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,154 | 7.745 | 0.005 | 9.048 | 0.003 | 9.547 | 0.002 | 109.2 | 0.02 | 98.51 | 0.04 | 94.51 | 0.04 | 619 | 0.5 | 273 | null | null | null | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C12 H23 Cl6 N8 O6 Ru - | - C12 H27 Cl6 N8 O6 Ru - | - C12 H27 Cl6 N8 O6 Ru - | 1 | 0.5 | BR1065 | Leduc, M.; Beauchamp, A.L. | Bis(9-methylhypoxanthinium) oxonium hexachlororuthenate(III) trihydrate | Acta Crystallographica Section C | 1,994 | 50 | 11 | 1683 | 1686 | 10.1107/S0108270194004130 | 0.7093 | MoKα | null | 0.02 | null | null | 0.027 | null | null | null | null | 2.46 | 2.46 | null | null | null | has coordinates | Leduc, M.; Beauchamp, A.L.
Bis(9-methylhypoxanthinium) oxonium hexachlororuthenate(III) trihydrate
Acta Crystallographica Section C
50(11)
(1994)
1683-1686 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
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2,010,155 | 9.551 | 0.002 | 19.355 | 0.003 | 10.73 | 0.002 | 90 | null | 97.874 | 0.003 | 90 | null | 1,964.8 | 0.6 | 298 | null | 298 | null | null | null | null | null | 3 | I 1 c 1 | I -2yc | 9 | Monoclinic titanium metaphosphate | Titanium(III) Tris(metaphosphate) | - O27 P9 Ti3 - | - O9 P3 Ti - | - O108 P36 Ti12 - | 12 | 3 | BR1083 | Harrison, William T. A.; Gier, Thurman E.; Stucky, Galen D. | Titanium(III) tris(metaphosphate) | Acta Crystallographica Section C | 1,994 | 50 | 11 | 1643 | 1646 | 10.1107/S010827019400613X | 0.71073 | MolybdenumKα | null | 0.027 | null | null | 0.024 | null | null | null | null | 1.068 | 1.068 | null | null | null | has coordinates | Harrison, William T. A.; Gier, Thurman E.; Stucky, Galen D.
Titanium(III) tris(metaphosphate)
Acta Crystallographica Section C
50(11)
(1994)
1643-1646 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
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2,010,156 | 8.445 | 0.002 | 16.345 | 0.005 | 16.413 | 0.005 | 90 | null | 90 | null | 90 | null | 2,265.5 | 1.1 | 295 | null | null | null | null | null | null | null | 5 | P 21 21 21 | P 2ac 2ab | null | - C23 H24 B2 F8 Ru - | - C23 H24 B2 F8 Ru - | - C92 H96 B8 F32 Ru4 - | 4 | 1 | CD1066 | Suravajjala, S.; Cervantes-Lee, F.; Porter, L.C. | (η^6^-Fluorene)(η^6^-1-isopropyl-4-methylbenzene)ruthenium(II) bis(tetrafluoroborate), [Ru(C~10~H~14~)(C~13~H~10~)](BF~4~)~2~ | Acta Crystallographica Section C | 1,994 | 50 | 11 | 1678 | 1681 | 10.1107/S010827019400051X | 0.71073 | MoKα | null | 0.0275 | null | null | 0.0231 | null | null | null | null | 2.18 | 2.18 | null | null | null | has coordinates | Suravajjala, S.; Cervantes-Lee, F.; Porter, L.C.
(η^6^-Fluorene)(η^6^-1-isopropyl-4-methylbenzene)ruthenium(II) bis(tetrafluoroborate), [Ru(C~10~H~14~)(C~13~H~10~)](BF~4~)~2~
Acta Crystallographica Section C
50(11)
(1994)
1678-1681 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,157 | 10.275 | 0.006 | 11.073 | 0.004 | 8.292 | 0.003 | 71.94 | 0.03 | 66.57 | 0.03 | 64.41 | 0.03 | 769.7 | 0.6 | 296 | null | 296 | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | 9-pivaloylfluorene ap-anti-t-butyl oxime | - C18 H19 N O - | - C18 H19 N O - | - C36 H38 N2 O2 - | 2 | 1 | CR1097 | Robinson, Paul D.; Lutfi, Hisham G.; Lim, Louis W.; Meyers, Cal Y. | Formation and identification of rotameric 9-pivaloylfluorene oximes. Structure of <i>ap</i>-(<i>Z</i>)-9-pivaloylfluorene oxime | Acta Crystallographica Section C | 1,994 | 50 | 11 | 1728 | 1732 | 10.1107/S0108270193014040 | 0.71069 | MoKα | null | 0.04 | null | null | 0.046 | null | null | null | null | 1.62 | 1.62 | null | null | null | has coordinates | Robinson, Paul D.; Lutfi, Hisham G.; Lim, Louis W.; Meyers, Cal Y.
Formation and identification of rotameric 9-pivaloylfluorene oximes. Structure of <i>ap</i>-(<i>Z</i>)-9-pivaloylfluorene oxime
Acta Crystallographica Section C
50(11)
(1994)
1728-1732 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
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2,010,158 | 9.053 | 0.001 | 9.053 | 0.001 | 15.149 | 0.001 | 90 | null | 90 | null | 120 | null | 1,075.23 | 0.18 | 29 | 0.5 | null | null | null | null | null | null | 3 | R -3 :H | -R 3 | 148 | - H8 O12 Si8 - | - H8 O12 Si8 - | - H24 O36 Si24 - | 3 | 0.166667 | CR1105 | Törnroos, K.W. | Octahydridosilasesquioxane determined by neutron diffraction | Acta Crystallographica Section C | 1,994 | 50 | 11 | 1646 | 1648 | 10.1107/S0108270194005342 | neutron | 1.215 | neutron | null | 0.031 | null | null | 0.0526 | null | null | null | null | 1.122 | 1.122 | null | null | null | has coordinates | Törnroos, K.W.
Octahydridosilasesquioxane determined by neutron diffraction
Acta Crystallographica Section C
50(11)
(1994)
1646-1648 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,159 | 6.436 | 0.004 | 6.954 | 0.003 | 14.85 | 0.009 | 90 | null | 100.33 | 0.05 | 90 | null | 653.9 | 0.6 | 193 | null | 193 | 1 | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | 4,4,8,8-tetrachloro-1,3,5,7-tetramethyl-cis-transoid-cis- tricyclo[5.1.0.0^3,5^]octane | - C12 H16 Cl4 - | - C12 H16 Cl4 - | - C24 H32 Cl8 - | 2 | 0.5 | CR1110 | Lynch, V. M.; Baran Jr, J. R.; Lagow, R. J.; Davis, Brian E. | Three polyhalogenated tricyclo[5.1.0.0^3,5^]octane compounds | Acta Crystallographica Section C | 1,994 | 50 | 11 | 1765 | 1768 | 10.1107/S0108270194003513 | 0.71073 | MoKα | 0.0275 | 0.0243 | null | 0.0345 | 0.0333 | null | null | null | null | 1.361 | 1.361 | null | null | null | has coordinates | Lynch, V. M.; Baran Jr, J. R.; Lagow, R. J.; Davis, Brian E.
Three polyhalogenated tricyclo[5.1.0.0^3,5^]octane compounds
Acta Crystallographica Section C
50(11)
(1994)
1765-1768 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
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2,010,160 | 17.177 | 0.009 | 6.426 | 0.002 | 14.516 | 0.004 | 90 | null | 120.74 | 0.03 | 90 | null | 1,377.1 | 1 | 173 | null | 173 | 1 | null | null | null | null | 3 | C 1 2/c 1 | -C 2yc | 15 | 4,4,8,8-tetrabromo-1,3,5,7-tetramethyl-cis-transoid-cis-tricyclo- [5,1,0,0,3,5]octane | - C12 H16 Br4 - | - C12 H16 Br4 - | - C48 H64 Br16 - | 4 | 0.5 | CR1110 | Lynch, V. M.; Baran Jr, J. R.; Lagow, R. J.; Davis, Brian E. | Three polyhalogenated tricyclo[5.1.0.0^3,5^]octane compounds | Acta Crystallographica Section C | 1,994 | 50 | 11 | 1765 | 1768 | 10.1107/S0108270194003513 | 0.71073 | MoKα | 0.0629 | 0.0387 | null | 0.0444 | 0.0391 | null | null | null | null | 1.126 | 1.126 | null | null | null | has coordinates | Lynch, V. M.; Baran Jr, J. R.; Lagow, R. J.; Davis, Brian E.
Three polyhalogenated tricyclo[5.1.0.0^3,5^]octane compounds
Acta Crystallographica Section C
50(11)
(1994)
1765-1768 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,161 | 6.43 | 0.002 | 13.437 | 0.004 | 7.804 | 0.002 | 90 | null | 113.55 | 0.02 | 90 | null | 618.1 | 0.3 | 298 | null | 298 | 1 | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | 4,8-dibromo-1,3,5,7-tetramethyl-cis-transoid-cis-tricyclo[5.1.0.0^3,5^]octane | - C12 H18 Br2 - | - C12 H18 Br2 - | - C24 H36 Br4 - | 2 | 0.5 | CR1110 | Lynch, V. M.; Baran, J. R.; Lagow, R. J.; Davis, Brian E. | Three polyhalogenated tricyclo[5.1.0.0^3,5^]octane compounds | Acta Crystallographica Section C | 1,994 | 50 | 11 | 1765 | 1768 | 10.1107/S0108270194003513 | 0.71073 | MoKα | 0.0608 | 0.0346 | null | 0.0406 | 0.0346 | null | null | null | null | 1.025 | 1.025 | null | null | null | has coordinates | Lynch, V. M.; Baran, J. R.; Lagow, R. J.; Davis, Brian E.
Three polyhalogenated tricyclo[5.1.0.0^3,5^]octane compounds
Acta Crystallographica Section C
50(11)
(1994)
1765-1768 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,162 | 8.6548 | 0.0004 | 15.864 | 0.0007 | 14.9305 | 0.0012 | 90 | null | 94.338 | 0.005 | 90 | null | 2,044.1 | 0.2 | 296 | 1 | null | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | 1-acetoxy-14-pentafluorophenyl-13-oxa-bicyclo[10.2.0]tetradecane | - C21 H25 F5 O3 - | - C21 H25 F5 O3 - | - C84 H100 F20 O12 - | 4 | 1 | CR1120 | Brock, Carolyn Pratt; Watt, David S.; Hiroyuki Morita | Product of a Paterno‒Büchi reaction of pentafluorobenzaldehyde and 1-acetoxycyclododecene | Acta Crystallographica Section C | 1,994 | 50 | 11 | 1805 | 1807 | 10.1107/S0108270194003525 | 0.71073 | MoKα | 0.2083 | 0.0432 | null | 0.1627 | 0.1321 | null | null | null | 0.827 | 1.13 | 1.13 | null | null | null | has coordinates | Brock, Carolyn Pratt; Watt, David S.; Hiroyuki Morita
Product of a Paterno‒Büchi reaction of pentafluorobenzaldehyde and 1-acetoxycyclododecene
Acta Crystallographica Section C
50(11)
(1994)
1805-1807 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
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2,010,163 | 10.492 | 0.004 | 13.048 | 0.003 | 15.595 | 0.002 | 90 | null | 99.54 | 0.03 | 90 | null | 2,105.4 | 1 | 289 | null | 289 | null | null | null | null | null | 5 | P 1 21/a 1 | -P 2yab | 14 | 2-[2-(2'-hydroxy-1'-oxo-1',2',3',4'-tetrahydronaphthyl)ethyl]-1,2,3,4- tetrahydronaphthylone thiosemicarbazone | - C23 H25 N3 O2 S - | - C23 H25 N3 O2 S - | - C92 H100 N12 O8 S4 - | 4 | 1 | CR1128 | Yang, Jian; Pandeya, S.N.; Dimmock, Jonathan R.; Quail, J. Wilson | A novel bistetrahydronaphthyl thiosemicarbazone | Acta Crystallographica Section C | 1,994 | 50 | 11 | 1828 | 1830 | 10.1107/S0108270194006098 | 0.7093 | MolybdenumKα | 0.074 | 0.049 | null | 0.05 | 0.05 | null | null | null | null | 2.47 | 2.47 | null | null | null | has coordinates | Yang, Jian; Pandeya, S.N.; Dimmock, Jonathan R.; Quail, J. Wilson
A novel bistetrahydronaphthyl thiosemicarbazone
Acta Crystallographica Section C
50(11)
(1994)
1828-1830 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,164 | 9.523 | 0.002 | 12.849 | 0.003 | 17.079 | 0.003 | 90 | null | 92.67 | 0.03 | 90 | null | 2,087.5 | 0.8 | 291 | 1 | null | null | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | - C16 H18 N6 S3 Sn - | - C19 H27 N6 S3 Sn - | - C76 H108 N24 S12 Sn4 - | 4 | 1 | CR1153 | Marsh, R.E. | <i>n</i>-Butyltris(2-pyrimidinethiolato-<i>N</i>,<i>S</i>)tin(IV): change in space group | Acta Crystallographica Section C | 1,994 | 50 | 11 | 1713 | 1715 | 10.1107/S0108270194005767 | 0.71073 | MoKα | null | 0.0311 | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Marsh, R.E.
<i>n</i>-Butyltris(2-pyrimidinethiolato-<i>N</i>,<i>S</i>)tin(IV): change in space group
Acta Crystallographica Section C
50(11)
(1994)
1713-1715 | 282,086 | 2023-03-28 | 13:50:54 | #------------------------------------------------------------------------------
#$Date: 2023-03-28 16:50:48 +0300 (Tue, 28 Mar 2023) $
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2,010,165 | 3.719 | 0.001 | 12.395 | 0.002 | 34.147 | 0.005 | 90 | null | 90 | null | 90 | null | 1,574.1 | 0.5 | 293 | null | null | null | null | null | null | null | 3 | C m c m | -C 2c 2 | null | - Fe2 S11 Yb6 - | - S11 Yb8 - | - S44 Yb32 - | 4 | 0.25 | DU1060 | Chaqour, S.M.; Tomas, A.; Lemoine, P.; Palazzi, M.; Guittard, M. | l'Undecasulfure de difer et d'hexaytterbium, Fe~2~Yb~6~S~11~ | Acta Crystallographica Section C | 1,994 | 50 | 11 | 1655 | 1657 | 10.1107/S0108270194000971 | 0.71069 | MoKα | null | 0.0534 | null | null | 0.0532 | null | null | null | null | 1.77 | 1.77 | null | null | null | has coordinates | Chaqour, S.M.; Tomas, A.; Lemoine, P.; Palazzi, M.; Guittard, M.
l'Undecasulfure de difer et d'hexaytterbium, Fe~2~Yb~6~S~11~
Acta Crystallographica Section C
50(11)
(1994)
1655-1657 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
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2,010,166 | 10.636 | 0.002 | 12.041 | 0.002 | 10.567 | 0.001 | 113.68 | 0.01 | 110.54 | 0.01 | 81.97 | 0.01 | 1,160.6 | 0.3 | 298 | null | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - H8 K4 Mo6 O26 Pt - | - K4 Mo6 O26 Pt - | - K8 Mo12 O52 Pt2 - | 2 | 1 | DU1074 | Joo, H.C.; Park, K.M.; Lee, U. | Tetrapotassium tetrahydrogen-β-hexamolybdoplatinate(IV) dihydrate, K~4~[H~4~β-PtMo~6~O~24~].2H~2~O | Acta Crystallographica Section C | 1,994 | 50 | 11 | 1659 | 1661 | 10.1107/S0108270194004816 | 0.71069 | MoKα | null | 0.044 | null | null | 0.058 | null | null | null | null | 3.84 | 3.84 | null | null | null | has coordinates | Joo, H.C.; Park, K.M.; Lee, U.
Tetrapotassium tetrahydrogen-β-hexamolybdoplatinate(IV) dihydrate, K~4~[H~4~β-PtMo~6~O~24~].2H~2~O
Acta Crystallographica Section C
50(11)
(1994)
1659-1661 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
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2,010,167 | 8.0934 | 0.001 | 19.998 | 0.003 | 11.926 | 0.002 | 90 | null | 90 | null | 90 | null | 1,930.2 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P c a 21 | P 2c -2ac | 29 | CAROXAZONE | 2-oxo-2H-1, 3-benzoxazine 3(4H)-acetamide | - C10 H10 N2 O3 - | - C10 H10 N2 O3 - | - C80 H80 N16 O24 - | 8 | 2 | DU1075 | Wouters, Johan; Evrard, Guy; Durant, Francois | The molecular structure of caroxazone, a reversible monoamine oxidase inhibitor | Acta Crystallographica Section C | 1,994 | 50 | 11 | 1774 | 1777 | 10.1107/S0108270194001393 | 1.54178 | CuKα | 0.0398 | 0.0357 | null | 0.0944 | 0.0852 | null | null | null | 0.909 | 0.903 | 0.903 | null | null | null | has coordinates | Wouters, Johan; Evrard, Guy; Durant, Francois
The molecular structure of caroxazone, a reversible monoamine oxidase inhibitor
Acta Crystallographica Section C
50(11)
(1994)
1774-1777 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
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2,010,168 | 10.071 | 0.001 | 14.937 | 0.001 | 11.173 | 0.001 | 90 | null | 115.03 | 0.01 | 90 | null | 1,522.9 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | Bis-([1,1']-ferrocenyldimethylsilyl)ferrocene | - C34 H38 Fe3 Si2 - | - C34 H38 Fe3 Si2 - | - C68 H76 Fe6 Si4 - | 2 | 0.5 | FG1011 | Lough, Alan J.; Manners, Ian; Rulkens, Ron | A linear oligo(ferrocenylsilane) | Acta Crystallographica Section C | 1,994 | 50 | 11 | 1667 | 1669 | 10.1107/S010827019400658X | 0.71073 | MoKα | 0.0964 | 0.0431 | null | 0.1224 | 0.099 | null | null | null | 1.031 | 1.084 | 1.084 | null | null | null | has coordinates | Lough, Alan J.; Manners, Ian; Rulkens, Ron
A linear oligo(ferrocenylsilane)
Acta Crystallographica Section C
50(11)
(1994)
1667-1669 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,010,169 | 4.863 | 0.005 | 9.963 | 0.003 | 14.024 | 0.003 | 69.99 | 0.02 | 76.7 | 0.04 | 80.28 | 0.04 | 618.2 | 0.7 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | p-chlorophenylamidopentanoic acid | - C12 H14 Cl N O3 - | - C12 H13 Cl N O3 - | - C24 H26 Cl2 N2 O6 - | 2 | 1 | Wouters, Johan; Evrard, Guy; Durant, Francois | The Molecular Structure of Caroxazone, a Reversible Monoamine Oxidase Inhibitor | Acta Crystallographica Section C | 1,994 | 50 | 1774 | 1777 | null | null | 0.0432 | null | null | 0.136 | null | null | null | null | null | null | null | null | null | has coordinates | Wouters, Johan; Evrard, Guy; Durant, Francois
The Molecular Structure of Caroxazone, a Reversible Monoamine Oxidase Inhibitor
Acta Crystallographica Section C
50
(1994)
1774-1777 | 201,957 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,010,170 | 5.001 | 0.001 | 7.972 | 0.007 | 16.843 | 0.002 | 76.863 | 0.01 | 80.667 | 0.01 | 76.14 | 0.05 | 630.7 | 0.6 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | Phenylamidohexanoic acid | 7-oxo-7(phenylamino)heptanoic acid | - C13 H17 N O3 - | - C13 H16 N O3 - | - C26 H32 N2 O6 - | 2 | 1 | HA1070 | Feeder, N.; Jones, W. | Two ẹfλbar{ıfvmodeνoindentφi{ηboxλęrn-0.35emρaise0.7exηbox{-}ęrn0.2em}}λbar"-oxo-ẹfλbar{ıfvmodeνoindentφi{ηboxλęrn-0.35emρaise0.7exηbox{-}ęrn0.2em}}λbar"-(phenylamino) aliphatic acids | Acta Crystallographica Section C | 1,994 | 50 | 11 | 1732 | 1734 | 10.1107/S0108270194000995 | 0.71069 | MoKα | 0.0946 | 0.0468 | null | 0.1382 | 0.1283 | null | null | null | 1.001 | 1.25 | 1.25 | null | null | null | has coordinates | Feeder, N.; Jones, W.
Two ẹfλbar{ıfvmodeνoindentφi{ηboxλęrn-0.35emρaise0.7exηbox{-}ęrn0.2em}}λbar"-oxo-ẹfλbar{ıfvmodeνoindentφi{ηboxλęrn-0.35emρaise0.7exηbox{-}ęrn0.2em}}λbar"-(phenylamino) aliphatic acids
Acta Crystallographica Section C
50(11)
(1994)
1732-1734 | 201,957 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,010,171 | 14.727 | 0.007 | 10.123 | 0.005 | 20.361 | 0.01 | 90 | null | 105.02 | 0.03 | 90 | null | 2,932 | 3 | 296 | null | null | null | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | - C31 H38 Co N4 O2 P - | - C31 H38 Co N4 O2 P - | - C124 H152 Co4 N16 O8 P4 - | 4 | 1 | HA1096 | Weakley, T.J.R.; Marks, J.; Finke, R.G. | The cobalt(I) coenzyme B~12~ model complex [2,10-diethyl-3,9-dimethyl-1,4,8,11-tetraazaundeca-1,3,8,10-tetraene-1,11-diolato(1‒)](triphenylphosphine)cobalt(I) | Acta Crystallographica Section C | 1,994 | 50 | 11 | 1690 | 1692 | 10.1107/S0108270194004300 | 0.71073 | MoKα | null | 0.037 | null | null | 0.038 | null | null | null | null | 1.4 | 1.4 | null | null | null | has coordinates | Weakley, T.J.R.; Marks, J.; Finke, R.G.
The cobalt(I) coenzyme B~12~ model complex [2,10-diethyl-3,9-dimethyl-1,4,8,11-tetraazaundeca-1,3,8,10-tetraene-1,11-diolato(1‒)](triphenylphosphine)cobalt(I)
Acta Crystallographica Section C
50(11)
(1994)
1690-1692 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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2,010,172 | 10.752 | 0.005 | 7.652 | 0.005 | 11.11 | 0.002 | 90 | null | 111.8 | 0.05 | 90 | null | 848.7 | 0.8 | 293 | null | 293 | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | tricarbonyl(η^6^-pyridine)chromium(0) | - C8 H5 Cr N O3 - | - C8 H5 Cr N O3 - | - C32 H20 Cr4 N4 O12 - | 4 | 1 | HA1108 | Draper, Sylvia M.; Byrne, Janice J.; Breheny, Ciara J.; Long, Conor; Low, John N. | Tricarbonyl(η^6^-pyridine)chromium(0) | Acta Crystallographica Section C | 1,994 | 50 | 11 | 1669 | 1671 | 10.1107/S0108270194006803 | 0.7093 | MolybdenumKα | 0.045 | 0.044 | null | 0.063 | 0.061 | null | null | null | null | 2.17 | 2.17 | null | null | null | has coordinates | Draper, Sylvia M.; Byrne, Janice J.; Breheny, Ciara J.; Long, Conor; Low, John N.
Tricarbonyl(η^6^-pyridine)chromium(0)
Acta Crystallographica Section C
50(11)
(1994)
1669-1671 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,010,173 | 9.1105 | 0.001 | 16.512 | 0.002 | 17.96 | 0.0012 | 77.648 | 0.015 | 78.482 | 0.013 | 81.618 | 0.016 | 2,571 | 0.5 | 293 | null | 293 | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | tetrakis(2-methoxyphenyl)tin | tetrakis(2-methoxyphenyl)tin | - C28 H28 O4 Sn - | - C28 H28 O4 Sn - | - C112 H112 O16 Sn4 - | 4 | 2 | HA1113 | Ross, Jennifer-Nicola; Wardell, James L.; Ferguson, George; Low, John N. | Symmetrical tetrasubstituted tin compounds: tetrakis(2-methoxyphenyl)tin and tetrakis(2-methoxybenzyl)tin | Acta Crystallographica Section C | 1,994 | 50 | 11 | 1703 | 1707 | 10.1107/S0108270194006815 | 0.71067 | MolybdenumKα | 0.063 | 0.028 | null | 0.045 | 0.039 | null | null | null | null | 1.01 | 1.01 | null | null | null | has coordinates | Ross, Jennifer-Nicola; Wardell, James L.; Ferguson, George; Low, John N.
Symmetrical tetrasubstituted tin compounds: tetrakis(2-methoxyphenyl)tin and tetrakis(2-methoxybenzyl)tin
Acta Crystallographica Section C
50(11)
(1994)
1703-1707 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
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2,010,174 | 14.2266 | 0.0017 | 14.2266 | 0.0017 | 7.3943 | 0.0007 | 90 | null | 90 | null | 90 | null | 1,496.6 | 0.3 | 293 | null | 293 | null | null | null | null | null | 4 | P -4 21 c | P -4 2n | 114 | tetrakis(2-methoxybenzyl)tin | tetrakis(2-methoxybenzyl)tin | - C32 H36 O4 Sn - | - C32 H36 O4 Sn - | - C64 H72 O8 Sn2 - | 2 | 0.25 | HA1113 | Ross, Jennifer-Nicola; Wardell, James L.; Ferguson, George; Low, John N. | Symmetrical tetrasubstituted tin compounds: tetrakis(2-methoxyphenyl)tin and tetrakis(2-methoxybenzyl)tin | Acta Crystallographica Section C | 1,994 | 50 | 11 | 1703 | 1707 | 10.1107/S0108270194006815 | 0.71067 | MolybdenumKα | 0.049 | 0.025 | null | 0.047 | 0.037 | null | null | null | null | 1.05 | 1.05 | null | null | null | has coordinates | Ross, Jennifer-Nicola; Wardell, James L.; Ferguson, George; Low, John N.
Symmetrical tetrasubstituted tin compounds: tetrakis(2-methoxyphenyl)tin and tetrakis(2-methoxybenzyl)tin
Acta Crystallographica Section C
50(11)
(1994)
1703-1707 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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2,010,175 | 15.2742 | 0.0014 | 7.1069 | 0.0006 | 12.5036 | 0.0013 | 90 | null | 110.744 | 0.007 | 90 | null | 1,269.3 | 0.2 | 298 | 2 | 298 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | 5-phenylthiomethylene (Meldrum's acid) | 2,2-Dimethyl-5-(phenylthiomethylene)-1,3-dioxane-4,6-dione | - C13 H12 O4 S - | - C13 H12 O4 S - | - C52 H48 O16 S4 - | 4 | 1 | HA1114 | Blake, Alexander J.; McNab, Hamish; Morrow, Mark | 2,2-Dimethyl-5-(phenylthiomethylene)-1,3-dioxane-4,6-dione | Acta Crystallographica Section C | 1,994 | 50 | 11 | 1716 | 1717 | 10.1107/S0108270194004804 | 0.71073 | MoKα | 0.0975 | 0.0559 | null | 0.188 | 0.1356 | null | null | null | 1.072 | 1.146 | 1.146 | null | null | null | has coordinates,has Fobs | Blake, Alexander J.; McNab, Hamish; Morrow, Mark
2,2-Dimethyl-5-(phenylthiomethylene)-1,3-dioxane-4,6-dione
Acta Crystallographica Section C
50(11)
(1994)
1716-1717 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,176 | 6.2368 | 0.001 | 7.3286 | 0.001 | 21.438 | 0.003 | 95.834 | 0.01 | 97.413 | 0.01 | 89.533 | 0.01 | 966.6 | 0.2 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | Sodium p-chloro-trans-cinnamate monohydrate | sodium 4-chloro-(E)-3-phenyl-2-propenoate monohydrate | - C9 H8 Cl Na O3 - | - C9 H8 Cl Na O3 - | - C36 H32 Cl4 Na4 O12 - | 4 | 2 | HA1117 | Kariuki, B.M.; Valim, J.B.; Jones, W.; King, J. | Monohydrate sodium and hexaaquamagnesium <i>p</i>-chloro-<i>trans</i>-cinnamates | Acta Crystallographica Section C | 1,994 | 50 | 11 | 1665 | 1667 | 10.1107/S0108270194006839 | 0.71069 | MoKα | 0.0865 | 0.042 | null | 0.1327 | 0.111 | null | null | null | 1.012 | 1.203 | 1.203 | null | null | null | has coordinates | Kariuki, B.M.; Valim, J.B.; Jones, W.; King, J.
Monohydrate sodium and hexaaquamagnesium <i>p</i>-chloro-<i>trans</i>-cinnamates
Acta Crystallographica Section C
50(11)
(1994)
1665-1667 | 183,154 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,010,177 | 5.779 | 0.001 | 5.3 | 0.003 | 35.811 | 0.005 | 90 | null | 95.06 | 0.02 | 90 | null | 1,092.6 | 0.7 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | hexa-aqua-magnesium bis(p-chloro-trans-cinnamate) | hexa-aqua-magnesium bis(4-chloro-(E)-3-phenyl-2-propenoate | - C18 H24 Cl2 Mg O10 - | - C18 H24 Cl2 Mg O10 - | - C36 H48 Cl4 Mg2 O20 - | 2 | 0.5 | HA1117 | Kariuki, B.M.; Valim, J.B.; Jones, W.; King, J. | Monohydrate sodium and hexaaquamagnesium <i>p</i>-chloro-<i>trans</i>-cinnamates | Acta Crystallographica Section C | 1,994 | 50 | 11 | 1665 | 1667 | 10.1107/S0108270194006839 | 0.71069 | MoKα | 0.0446 | 0.031 | null | 0.0996 | 0.0903 | null | null | null | 1.094 | 1.18 | 1.18 | null | null | null | has coordinates | Kariuki, B.M.; Valim, J.B.; Jones, W.; King, J.
Monohydrate sodium and hexaaquamagnesium <i>p</i>-chloro-<i>trans</i>-cinnamates
Acta Crystallographica Section C
50(11)
(1994)
1665-1667 | 219,800 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,010,178 | 9.439 | 0.003 | 12.979 | 0.004 | 13.773 | 0.005 | 90 | null | 90 | null | 90 | null | 1,687.3 | 1 | 298 | null | null | null | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | 19 | (7R,8S,9R)-5,6-seco-neo-clerodane-1,3,5(10),13(16),14-pentaene-12-oxo-15, 16-epoxy-18,19;20(7)-diolide | - C20 H18 O6 - | - C20 H18 O6 - | - C80 H72 O24 - | 4 | 1 | HH1055 | Toscano, R.A.; Sanchez, A.A.; Esquivel, B.; Esquivel, O.; Rodriguez-Hahn, L. | Salvireptanolide | Acta Crystallographica Section C | 1,994 | 50 | 11 | 1794 | 1796 | 10.1107/S0108270194000181 | 1.54178 | CuKα | null | 0.039 | null | null | 0.045 | null | null | null | null | 1.08 | 1.08 | null | null | null | has coordinates | Toscano, R.A.; Sanchez, A.A.; Esquivel, B.; Esquivel, O.; Rodriguez-Hahn, L.
Salvireptanolide
Acta Crystallographica Section C
50(11)
(1994)
1794-1796 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
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2,010,179 | 15.75 | 0.003 | 13.47 | 0.002 | 13.356 | 0.002 | 90 | null | 90 | null | 90 | null | 2,833.5 | 0.8 | 291 | null | null | null | null | null | null | null | 4 | A b a 2 | A 2 -2ab | null | - C16 H15 N O3 - | - C16 H15 N O3 - | - C128 H120 N8 O24 - | 8 | null | HL1045 | Suh, I-H.; Lim, S-S.; Lee, J-H.; Ryu, B-Y; Kim, M-J.; Yoon, C.S.; Hong, H-K.; Lee, K.S. | 4-Methoxy-3-methyl-4'-nitrostilbene, C~16~H~15~NO~3~ | Acta Crystallographica Section C | 1,994 | 50 | 11 | 1768 | 1770 | 10.1107/S0108270194000533 | 0.71069 | MoKα | null | 0.0414 | null | null | 0.0415 | null | null | null | null | 1.067 | 1.067 | null | null | null | has coordinates | Suh, I-H.; Lim, S-S.; Lee, J-H.; Ryu, B-Y; Kim, M-J.; Yoon, C.S.; Hong, H-K.; Lee, K.S.
4-Methoxy-3-methyl-4'-nitrostilbene, C~16~H~15~NO~3~
Acta Crystallographica Section C
50(11)
(1994)
1768-1770 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,180 | 32.108 | 0.006 | 9.244 | 0.002 | 12.043 | 0.003 | 90 | null | 103.63 | 0.02 | 90 | null | 3,473.8 | 1.3 | 295 | null | null | null | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | null | - C16 H19 Br N2 O4 - | - C16 H19 Br N2 O4 - | - C128 H152 Br8 N16 O32 - | 8 | 1 | HL1048 | Chen, X.-M.; Mak, T.C.W. | Bis(pyridiniopropionate) hydrogen bromide | Acta Crystallographica Section C | 1,994 | 50 | 11 | 1807 | 1809 | 10.1107/S0108270194001150 | 0.71073 | MoKα | null | 0.061 | null | null | 0.076 | null | null | null | null | 1.35 | 1.35 | null | null | null | has coordinates | Chen, X.-M.; Mak, T.C.W.
Bis(pyridiniopropionate) hydrogen bromide
Acta Crystallographica Section C
50(11)
(1994)
1807-1809 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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2,010,181 | 7.763 | 0.001 | 7.751 | 0.001 | 17.071 | 0.004 | 90 | null | 96.26 | 0.02 | 90 | null | 1,021.1 | 0.3 | 300 | null | null | null | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | - C11 H11 N O2 S - | - C11 H11 N O2 S - | - C44 H44 N4 O8 S4 - | 4 | 1 | HL1049 | Chen, W.; Teo, S.-B.; Teoh, S.-G.; Okechuwu, R.C. | 2-Acetyl-3-methyl-4<i>H</i>-1,4-benzothiazine 1-oxide | Acta Crystallographica Section C | 1,994 | 50 | 11 | 1756 | 1758 | 10.1107/S0108270194001897 | 0.71073 | MoKα | null | 0.041 | null | null | 0.047 | null | null | null | null | 0.75 | 0.75 | null | null | null | has coordinates | Chen, W.; Teo, S.-B.; Teoh, S.-G.; Okechuwu, R.C.
2-Acetyl-3-methyl-4<i>H</i>-1,4-benzothiazine 1-oxide
Acta Crystallographica Section C
50(11)
(1994)
1756-1758 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,182 | 9.265 | 0.001 | 9.354 | 0.001 | 17.399 | 0.002 | 90 | null | 94.39 | 0.01 | 90 | null | 1,503.5 | 0.3 | null | null | null | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | - C12 H24 N2 O4 - | - C12 H24 N2 O4 - | - C48 H96 N8 O16 - | 4 | 1 | HL1050 | Wong, W.-T. | <i>N</i>,<i>N</i>'-Bis(methoxycarbonyl)-2,5-dimethylhexane-2,5-diamine | Acta Crystallographica Section C | 1,994 | 50 | 11 | 1796 | 1798 | 10.1107/S0108270194001162 | 0.71073 | MoKα | null | 0.048 | null | null | 0.055 | null | null | null | null | 1.33 | 1.33 | null | null | null | has coordinates | Wong, W.-T.
<i>N</i>,<i>N</i>'-Bis(methoxycarbonyl)-2,5-dimethylhexane-2,5-diamine
Acta Crystallographica Section C
50(11)
(1994)
1796-1798 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,183 | 8.22 | 0.001 | 16.579 | 0.002 | 11.192 | 0.001 | 90 | null | 93.4 | 0.01 | 90 | null | 1,522.6 | 0.3 | 294 | null | null | null | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | - C12 H36 Cl8 P4 Zr2 - | - C12 H36 Cl8 P4 Zr2 - | - C24 H72 Cl16 P8 Zr4 - | 2 | 0.5 | HR1002 | Cotton, F.A.; Wojtczak, W.A. | Two zirconium(IV) complexes, [Zr~2~Cl~8~(PMe~3~)~4~] and <i>trans</i>-[ZrI~4~(PMe~2~Ph)~2~] | Acta Crystallographica Section C | 1,994 | 50 | 11 | 1662 | 1664 | 10.1107/S0108270194003963 | 0.71073 | MoKα | null | 0.0288 | null | null | 0.0376 | null | null | null | null | 0.801 | 0.801 | null | null | null | has coordinates | Cotton, F.A.; Wojtczak, W.A.
Two zirconium(IV) complexes, [Zr~2~Cl~8~(PMe~3~)~4~] and <i>trans</i>-[ZrI~4~(PMe~2~Ph)~2~]
Acta Crystallographica Section C
50(11)
(1994)
1662-1664 | 278,324 | 2022-10-03 | 14:41:53 | #------------------------------------------------------------------------------
#$Date: 2022-10-03 17:40:12 +0300 (Mon, 03 Oct 2022) $
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2,010,184 | 20.598 | 0.004 | 9.431 | 0.001 | 15.307 | 0.003 | 90 | null | 122.06 | 0.01 | 90 | null | 2,520 | 0.8 | 294 | null | null | null | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | null | - C16 H22 I4 P2 Zr - | - C16 I4 P2 Zr - | - C64 I16 P8 Zr4 - | 4 | 0.5 | HR1002 | Cotton, F.A.; Wojtczak, W.A. | Two zirconium(IV) complexes, [Zr~2~Cl~8~(PMe~3~)~4~] and <i>trans</i>-[ZrI~4~(PMe~2~Ph)~2~] | Acta Crystallographica Section C | 1,994 | 50 | 11 | 1662 | 1664 | 10.1107/S0108270194003963 | 0.71073 | MoKα | null | 0.0399 | null | null | 0.0616 | null | null | null | null | 1.423 | 1.423 | null | null | null | has coordinates | Cotton, F.A.; Wojtczak, W.A.
Two zirconium(IV) complexes, [Zr~2~Cl~8~(PMe~3~)~4~] and <i>trans</i>-[ZrI~4~(PMe~2~Ph)~2~]
Acta Crystallographica Section C
50(11)
(1994)
1662-1664 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,010,185 | 14.214 | 0.001 | 6.593 | 0.001 | 16.543 | 0.001 | 90 | null | 99.51 | 0.01 | 90 | null | 1,529 | 0.3 | 291 | 1 | 291 | 1 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | Methyl 3-[(tert-butyloxycarbonyl)amino]-4-hydroxy-cyclohexane-1-carboxylate | - C13 H23 N O5 - | - C13 H23 N O5 - | - C52 H92 N4 O20 - | 4 | 1 | HR1005 | Mackay, M.F.; McLeish, M.J.; Campbell, M. | Two nitrogen-containing analogues of chorismic acid | Acta Crystallographica Section C | 1,994 | 50 | 11 | 1734 | 1738 | 10.1107/S010827019400212X | 1.5418 | CopperKα | null | 0.07 | null | null | 0.075 | null | null | null | null | 3.79 | 3.79 | null | null | null | has coordinates | Mackay, M.F.; McLeish, M.J.; Campbell, M.
Two nitrogen-containing analogues of chorismic acid
Acta Crystallographica Section C
50(11)
(1994)
1734-1738 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
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2,010,186 | 6.843 | 0.001 | 10.205 | 0.001 | 11.642 | 0.001 | 94.81 | 0.01 | 100.1 | 0.01 | 105.96 | 0.01 | 762.02 | 0.16 | 291 | 1 | 291 | 1 | null | null | null | null | 4 | P -1 | -P 1 | 2 | Methyl 4-[(tert-butyloxycarbonyl)amino]-3-hydroxy-cyclohexane-1-carboxylate | - C13 H23 N O5 - | - C13 H23 N O5 - | - C26 H46 N2 O10 - | 2 | 1 | HR1005 | Mackay, M.F.; McLeish, M.J.; Campbell, M. | Two nitrogen-containing analogues of chorismic acid | Acta Crystallographica Section C | 1,994 | 50 | 11 | 1734 | 1738 | 10.1107/S010827019400212X | 1.5418 | CopperKα | null | 0.054 | null | null | 0.075 | null | null | null | null | 3.14 | 3.14 | null | null | null | has coordinates | Mackay, M.F.; McLeish, M.J.; Campbell, M.
Two nitrogen-containing analogues of chorismic acid
Acta Crystallographica Section C
50(11)
(1994)
1734-1738 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/01/2010186.cif $
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