file int64 | a float64 | siga float64 | b float64 | sigb float64 | c float64 | sigc float64 | alpha float64 | sigalpha float64 | beta float64 | sigbeta float64 | gamma float64 | siggamma float64 | vol float64 | sigvol float64 | celltemp float64 | sigcelltemp float64 | diffrtemp float64 | sigdiffrtemp float64 | cellpressure float64 | sigcellpressure float64 | diffrpressure float64 | sigdiffrpressure float64 | thermalhist string | pressurehist string | compoundsource string | nel string | sg string | sgHall string | sgNumber int64 | commonname string | chemname string | mineral string | formula string | calcformula string | cellformula string | Z int64 | Zprime float64 | acce_code string | authors string | title string | journal string | year int64 | volume int64 | issue string | firstpage string | lastpage string | doi string | method string | radiation string | wavelength float64 | radType string | radSymbol string | Rall float64 | Robs float64 | Rref float64 | wRall float64 | wRobs float64 | wRref float64 | RFsqd float64 | RI float64 | gofall float64 | gofobs float64 | gofgt float64 | gofref float64 | duplicateof int64 | optimal int64 | status string | flags string | text string | svnrevision int64 | date string | time string | onhold string | cif_text string |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
2,000,585 | 4.413 | 0.002 | 14.585 | 0.009 | 6.7 | 0.004 | 90 | null | 104.3 | 0.04 | 90 | null | 417.9 | 0.4 | null | null | null | null | null | null | null | null | 4 | P 1 21/m 1 | null | - B5 Ba2 Li O10 - | - B5 Ba2 Li O10 - | - B10 Ba4 Li2 O20 - | 2 | 0.5 | LI0114 | Huang, Q.; Lu, S.; Dai, G.; Liang, J. | A new type of borate double salt: structure of LiBa~2~B~5~O~10~ | Acta Crystallographica Section C | 1,992 | 48 | 9 | 1576 | 1578 | 10.1107/S0108270191013549 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Huang, Q.; Lu, S.; Dai, G.; Liang, J.
A new type of borate double salt: structure of LiBa~2~B~5~O~10~
Acta Crystallographica Section C
48(9)
(1992)
1576-1578 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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7,205,823 | 11.302 | 0.004 | 9.866 | 0.003 | 19.3 | 0.005 | 90 | null | 107.972 | 0.015 | 90 | null | 2,047.1 | 1.1 | 294 | 2 | 294 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C18 H20 Ag N7 O5 - | - C18 H20 Ag N7 O5 - | - C72 H80 Ag4 N28 O20 - | 4 | 1 | Tang, Xiao-Liang; Dou, Wei; Zhou, Ji-an; Zhang, Guo-Lin; Liu, Wei-Sheng; Yang, Li-Zi; Shao, Yong-Liang | Metallomacrocycle or coordination polymer: Spacer-directed self-assembly of transition-metal complexes based on flexible bis(benzotriazole) ligands | CrystEngComm | 2,011 | 13 | 8 | 2890 | 10.1039/c0ce00847h | 0.71073 | MoKα | 0.0427 | 0.029 | null | null | 0.0716 | 0.0783 | null | null | null | null | null | 1.034 | null | null | has coordinates | Tang, Xiao-Liang; Dou, Wei; Zhou, Ji-an; Zhang, Guo-Lin; Liu, Wei-Sheng; Yang, Li-Zi; Shao, Yong-Liang
Metallomacrocycle or coordination polymer: Spacer-directed self-assembly of transition-metal complexes based on flexible bis(benzotriazole) ligands
CrystEngComm
13(8)
(2011)
2890 | 180,389 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-26 17:21:16 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180389 $
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2,000,586 | 6.954 | 0.001 | 17.196 | 0.003 | 15.333 | 0.002 | 90 | null | 99.53 | 0.01 | 90 | null | 1,808.2 | 0.5 | null | null | null | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C40 H32 Fe2 N4 O8 - | - C40 H32 Fe2 N4 O8 - | - C80 H64 Fe4 N8 O16 - | 2 | 0.5 | AL0515 | Dušek, M.; Petříček, V.; Kameníček, J.; Šindelář, Z. | Structure of μ-(tetraphthalato)-bis[<i>N</i>,<i>N</i>'-ethylenebis(salicylaldiminato)iron(III)] | Acta Crystallographica Section C | 1,992 | 48 | 9 | 1579 | 1582 | 10.1107/S0108270192000982 | 1.54184 | Cu | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Dušek, M.; Petříček, V.; Kameníček, J.; Šindelář, Z.
Structure of μ-(tetraphthalato)-bis[<i>N</i>,<i>N</i>'-ethylenebis(salicylaldiminato)iron(III)]
Acta Crystallographica Section C
48(9)
(1992)
1579-1582 | 301,791 | 2025-08-18 | 23:14:59 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,000,587 | 9.536 | 0.004 | 11.221 | 0.002 | 11.613 | 0.001 | 62.55 | 0.01 | 65.81 | 0.02 | 73.05 | 0.02 | 997.8 | 0.5 | null | null | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C36 Cl2 F30 P2 Pt - | - C36 Cl2 F30 P2 Pt - | - C36 Cl2 F30 P2 Pt - | 1 | 0.5 | HH0588 | Schaefer, W. P.; Lyon, D. K.; Labinger, J. A.; Bercaw, J. E. | A platinum chloro (fluoroaryl)phosphine complex | Acta Crystallographica Section C | 1,992 | 48 | 9 | 1582 | 1584 | 10.1107/S0108270192001008 | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Schaefer, W. P.; Lyon, D. K.; Labinger, J. A.; Bercaw, J. E.
A platinum chloro (fluoroaryl)phosphine complex
Acta Crystallographica Section C
48(9)
(1992)
1582-1584 | 278,247 | 2022-09-28 | 15:09:31 | #------------------------------------------------------------------------------
#$Date: 2022-09-28 18:08:17 +0300 (Wed, 28 Sep 2022) $
#$Revision: 278247 $
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2,000,588 | 12.683 | 0.004 | 10.374 | 0.002 | 19.229 | 0.004 | 90 | null | 111.92 | 0.02 | 90 | null | 2,347.1 | 1 | null | null | null | null | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | - C16 H30 Cu N7 O8 - | - C16 H30 Cu N7 O8 - | - C64 H120 Cu4 N28 O32 - | 4 | 1 | LI0124 | Driessen, W. L.; Haanstra, W. G.; Reedijk, J. | Structure of the dinuclear copper(II) compound of <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetrakis[2-(3,5-dimethyl-1-pyrazolyl)ethyl]-1,2-ethylenediamine (tped), [Cu~2~(tped)(H~2~O)~2~(NO~3~)~2~](NO~3~)~2~.2CH~3~OH | Acta Crystallographica Section C | 1,992 | 48 | 9 | 1585 | 1587 | 10.1107/S0108270192001082 | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Driessen, W. L.; Haanstra, W. G.; Reedijk, J.
Structure of the dinuclear copper(II) compound of <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetrakis[2-(3,5-dimethyl-1-pyrazolyl)ethyl]-1,2-ethylenediamine (tped), [Cu~2~(tped)(H~2~O)~2~(NO~3~)~2~](NO~3~)~2~.2CH~3~OH
Acta Crystallographica Section C
48(9)
(1992)
1585-1587 | 301,791 | 2025-08-18 | 23:14:59 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,000,589 | 14.76 | 0.001 | 12.486 | 0.001 | 8.5623 | 0.0007 | 90 | null | 101.78 | 0.004 | 90 | null | 1,544.7 | 0.2 | null | null | null | null | null | null | null | null | 5 | C 1 2/c 1 | null | - C15 H15 Ga N2 O4 - | - C15 H18 Ga N2 O4 - | - C60 H72 Ga4 N8 O16 - | 4 | 0.5 | HH0599 | Rettig, S. J.; Storr, A.; Trotter, J. | Structure of methylbis(salicylaldoximato-<i>O</i>^1^,<i>N</i>)gallium(III) | Acta Crystallographica Section C | 1,992 | 48 | 9 | 1587 | 1590 | 10.1107/S0108270192001318 | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Rettig, S. J.; Storr, A.; Trotter, J.
Structure of methylbis(salicylaldoximato-<i>O</i>^1^,<i>N</i>)gallium(III)
Acta Crystallographica Section C
48(9)
(1992)
1587-1590 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/05/2000589.cif $
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7,205,822 | 15.282 | 0.002 | 15.282 | 0.002 | 40.377 | 0.004 | 90 | null | 90 | null | 120 | null | 8,166.3 | 1.7 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | R -3 c :H | -R 3 2"c | 167 | - C48 H48 Ag2 N20 O9 - | - C48 H48 Ag2 N20 O9 - | - C288 H288 Ag12 N120 O54 - | 6 | 0.166667 | Tang, Xiao-Liang; Dou, Wei; Zhou, Ji-an; Zhang, Guo-Lin; Liu, Wei-Sheng; Yang, Li-Zi; Shao, Yong-Liang | Metallomacrocycle or coordination polymer: Spacer-directed self-assembly of transition-metal complexes based on flexible bis(benzotriazole) ligands | CrystEngComm | 2,011 | 13 | 8 | 2890 | 10.1039/c0ce00847h | 0.71073 | MoKα | 0.0931 | 0.0704 | null | null | 0.1886 | 0.2109 | null | null | null | null | null | 1.013 | null | null | has coordinates,has disorder | Tang, Xiao-Liang; Dou, Wei; Zhou, Ji-an; Zhang, Guo-Lin; Liu, Wei-Sheng; Yang, Li-Zi; Shao, Yong-Liang
Metallomacrocycle or coordination polymer: Spacer-directed self-assembly of transition-metal complexes based on flexible bis(benzotriazole) ligands
CrystEngComm
13(8)
(2011)
2890 | 180,389 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-26 17:21:16 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180389 $
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2,000,590 | 7.214 | 0.002 | 19.554 | 0.004 | 10.877 | 0.004 | 90 | null | 103.82 | 0.03 | 90 | null | 1,489.9 | 0.8 | null | null | null | null | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | - C28 H20 Cl4 Cu2 O10 - | - C28 H20 Cl4 Cu2 O10 - | - C56 H40 Cl8 Cu4 O20 - | 2 | 0.5 | AS0583 | Kawata, T.; Ohba, S.; Tokii, T.; Muto, Y.; Kato, M. | Structures of aqua and pyridine adducts of dimeric copper(II) 2-chlorobenzoate | Acta Crystallographica Section C | 1,992 | 48 | 9 | 1590 | 1594 | 10.1107/S010827019200129X | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Kawata, T.; Ohba, S.; Tokii, T.; Muto, Y.; Kato, M.
Structures of aqua and pyridine adducts of dimeric copper(II) 2-chlorobenzoate
Acta Crystallographica Section C
48(9)
(1992)
1590-1594 | 301,791 | 2025-08-18 | 23:14:59 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/05/2000590.cif $
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2,000,591 | 23.365 | 0.003 | 10.688 | 0.001 | 20.542 | 0.002 | 90 | null | 100.03 | 0.01 | 90 | null | 5,051.5 | 1 | null | null | null | null | null | null | null | null | 6 | P 1 21/a 1 | -P 2yab | 14 | - C40 H26 Cl12 Cu2 N2 O8 - | - C40 H26 Cl12 Cu2 N2 O8 - | - C160 H104 Cl48 Cu8 N8 O32 - | 4 | 1 | AS0583 | Kawata, T.; Ohba, S.; Tokii, T.; Muto, Y.; Kato, M. | Structures of aqua and pyridine adducts of dimeric copper(II) 2-chlorobenzoate | Acta Crystallographica Section C | 1,992 | 48 | 9 | 1590 | 1594 | 10.1107/S010827019200129X | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Kawata, T.; Ohba, S.; Tokii, T.; Muto, Y.; Kato, M.
Structures of aqua and pyridine adducts of dimeric copper(II) 2-chlorobenzoate
Acta Crystallographica Section C
48(9)
(1992)
1590-1594 | 301,791 | 2025-08-18 | 23:14:59 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/05/2000591.cif $
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2,000,592 | 7.844 | 0.002 | 10.244 | 0.019 | 26.55 | 0.005 | 90 | null | 90 | null | 90 | null | 2,133 | 4 | null | null | null | null | null | null | null | null | 5 | P 21 c a | P -2ac 2a | 29 | - C17 H23 Cl2 Fe O6 - | - C17 H23 Cl2 Fe O6 - | - C68 H92 Cl8 Fe4 O24 - | 4 | 1 | BR0016 | Pang, L.; Hynes, R. C.; Whitehead, M. A. | Structure of the clathrate compound tris(2,4-pentanedionato)iron(III)-<i>trans</i>-1,2-dichloroethene (1/1) | Acta Crystallographica Section C | 1,992 | 48 | 9 | 1594 | 1597 | 10.1107/S0108270192001331 | 0.7093 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Pang, L.; Hynes, R. C.; Whitehead, M. A.
Structure of the clathrate compound tris(2,4-pentanedionato)iron(III)-<i>trans</i>-1,2-dichloroethene (1/1)
Acta Crystallographica Section C
48(9)
(1992)
1594-1597 | 205,966 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2018-01-31 17:02:53 +0200 (Wed, 31 Jan 2018) $
#$Revision: 205966 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/05/2000592.cif $
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2,000,593 | 7.692 | 0.002 | 11.351 | 0.002 | 16.89 | 0.003 | 90 | null | 97.98 | 0.02 | 90 | null | 1,460.4 | 0.5 | null | null | null | null | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | - C10 H18 Au Cl N4 O - | - C10 H16 Au Cl2 N4 O2 - | - C40 H64 Au4 Cl8 N16 O8 - | 4 | 1 | BR0015 | Britten, J. F.; Lock, C. J. L.; Wang, Z. | Bis(4,5-dimethylimidazol-2-ylidene)gold(I) chloride hydrate: an unexpected product from the reaction of tris(4,5-dimethylimidazol-2-yl)phosphine and tetrachloroauric acid | Acta Crystallographica Section C | 1,992 | 48 | 9 | 1600 | 1603 | 10.1107/S0108270192001513 | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Britten, J. F.; Lock, C. J. L.; Wang, Z.
Bis(4,5-dimethylimidazol-2-ylidene)gold(I) chloride hydrate: an unexpected product from the reaction of tris(4,5-dimethylimidazol-2-yl)phosphine and tetrachloroauric acid
Acta Crystallographica Section C
48(9)
(1992)
1600-1603 | 278,324 | 2022-10-03 | 14:41:52 | #------------------------------------------------------------------------------
#$Date: 2022-10-03 17:40:12 +0300 (Mon, 03 Oct 2022) $
#$Revision: 278324 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/05/2000593.cif $
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2,000,594 | 9.106 | 0.003 | 14.803 | 0.003 | 15.147 | 0.003 | 112.95 | 0.02 | 103.68 | 0.02 | 95.1 | 0.02 | 1,789 | 0.9 | null | null | null | null | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C14 H32 Co O9 P3 Pt - | - C14 H32 Co O9 P3 Pt - | - C42 H96 Co3 O27 P9 Pt3 - | 3 | 1.5 | HH0605 | Marsh, R. E.; Schaefer, W. P.; Lyon, D. K.; Labinger, J. A.; Bercaw, J. E. | Structure of trimethylplatinum(IV) with a tripod ligand | Acta Crystallographica Section C | 1,992 | 48 | 9 | 1603 | 1606 | 10.1107/S010827019200163X | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates,has disorder | Marsh, R. E.; Schaefer, W. P.; Lyon, D. K.; Labinger, J. A.; Bercaw, J. E.
Structure of trimethylplatinum(IV) with a tripod ligand
Acta Crystallographica Section C
48(9)
(1992)
1603-1606 | 208,360 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2018-06-14 04:32:00 +0300 (Thu, 14 Jun 2018) $
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7,205,821 | 9.7616 | 0.0013 | 9.9673 | 0.0013 | 11.53 | 0.003 | 104.062 | 0.003 | 99.128 | 0.003 | 115.917 | 0.002 | 932.6 | 0.3 | 294 | 2 | 294 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C16 H15 Ag N8 O3 - | - C16 H15 Ag N8 O3 - | - C32 H30 Ag2 N16 O6 - | 2 | 1 | Tang, Xiao-Liang; Dou, Wei; Zhou, Ji-an; Zhang, Guo-Lin; Liu, Wei-Sheng; Yang, Li-Zi; Shao, Yong-Liang | Metallomacrocycle or coordination polymer: Spacer-directed self-assembly of transition-metal complexes based on flexible bis(benzotriazole) ligands | CrystEngComm | 2,011 | 13 | 8 | 2890 | 10.1039/c0ce00847h | 0.71073 | MoKα | 0.0408 | 0.0318 | null | null | 0.0755 | 0.0812 | null | null | null | null | null | 1.004 | null | null | has coordinates | Tang, Xiao-Liang; Dou, Wei; Zhou, Ji-an; Zhang, Guo-Lin; Liu, Wei-Sheng; Yang, Li-Zi; Shao, Yong-Liang
Metallomacrocycle or coordination polymer: Spacer-directed self-assembly of transition-metal complexes based on flexible bis(benzotriazole) ligands
CrystEngComm
13(8)
(2011)
2890 | 180,389 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-26 17:21:16 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180389 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/58/7205821.cif $
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2,000,595 | 14.23 | 0.004 | 19.283 | 0.004 | 14.628 | 0.004 | 90 | null | 90 | null | 90 | null | 4,013.9 | 1.8 | null | null | null | null | null | null | null | null | 6 | P b c a | -P 2ac 2ab | null | - C18 H26 F3 O3 S Ta - | - C18 H26 F3 O3 S Ta - | - C144 H208 F24 O24 S8 Ta8 - | 8 | 1 | HH0590 | Schaefer, W. P.; Quan, R. W.; Bercaw, J. E. | Cp,Cp*-dimethyltantalum triflate | Acta Crystallographica Section C | 1,992 | 48 | 9 | 1610 | 1612 | 10.1107/S0108270192001628 | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Schaefer, W. P.; Quan, R. W.; Bercaw, J. E.
Cp,Cp*-dimethyltantalum triflate
Acta Crystallographica Section C
48(9)
(1992)
1610-1612 | 190,975 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-01-26 13:41:26 +0200 (Thu, 26 Jan 2017) $
#$Revision: 190975 $
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2,000,596 | 16.428 | 0.004 | 12.721 | 0.003 | 12.526 | 0.006 | 90 | null | 114.53 | 0.03 | 90 | null | 2,381.4 | 1.5 | null | null | null | null | null | null | null | null | 7 | C 1 2/m 1 | -C 2y | null | - C28 H40 Cl Cu2 F18 N8 P3 - | - C28 H40 Cl Cu2 F18 N8 P3 - | - C56 H80 Cl2 Cu4 F36 N16 P6 - | 2 | 0.25 | PA0275 | Alilou, E. H.; Giorgi, M.; Pierrot, M.; Reglier, M. | Structure of μ-chloro-bis{bis[2-(2-pyridyl)ethylamine-<i>N</i>,<i>N</i>']copper(II)} trishexafluorophosphate | Acta Crystallographica Section C | 1,992 | 48 | 9 | 1612 | 1614 | 10.1107/S0108270192001549 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Alilou, E. H.; Giorgi, M.; Pierrot, M.; Reglier, M.
Structure of μ-chloro-bis{bis[2-(2-pyridyl)ethylamine-<i>N</i>,<i>N</i>']copper(II)} trishexafluorophosphate
Acta Crystallographica Section C
48(9)
(1992)
1612-1614 | 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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2,000,597 | 10.21 | 0.01 | 13.99 | 0.01 | 5.91 | 0.01 | 90 | null | 90 | null | 90 | null | 844.2 | 1.8 | null | null | null | null | null | null | null | null | 5 | P m m n | null | - C15 H25 F3 N2 O2 - | - C30 H50 F16 N4 O4 - | - C60 H100 F32 N8 O8 - | 2 | null | HU0404 | Patel, D.; Brown, D. S.; Traynor, J. R. | 3,3,6,9,9-Pentamethyl-2,10-diazabicyclo[4.4.0]dec-1-ene hydrogen trifluoroacetate | Acta Crystallographica Section C | 1,992 | 48 | 9 | 1614 | 1616 | 10.1107/S0108270192001732 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Patel, D.; Brown, D. S.; Traynor, J. R.
3,3,6,9,9-Pentamethyl-2,10-diazabicyclo[4.4.0]dec-1-ene hydrogen trifluoroacetate
Acta Crystallographica Section C
48(9)
(1992)
1614-1616 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
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2,000,598 | 21.335 | 0.002 | 8.516 | 0.001 | 9.273 | 0.001 | 90 | null | 93.645 | 0.001 | 90 | null | 1,681.4 | 0.3 | null | null | null | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | - C17 H18 N2 O5 - | - C17 H18 N2 O5 - | - C68 H72 N8 O20 - | 4 | 1 | CR0357 | Kokila, M. K.; Nirmala, K. A.; Puttaraja; Kulkarni, M. V.; Shivaprakash, N. C. | Structure of ethyl 2-(2-amino-3-ethoxycarbonyl-4<i>H</i>-chromen-4-yl)-2-cyanoacetate | Acta Crystallographica Section C | 1,992 | 48 | 9 | 1619 | 1622 | 10.1107/S0108270192000209 | 1.5418 | Cu | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Kokila, M. K.; Nirmala, K. A.; Puttaraja; Kulkarni, M. V.; Shivaprakash, N. C.
Structure of ethyl 2-(2-amino-3-ethoxycarbonyl-4<i>H</i>-chromen-4-yl)-2-cyanoacetate
Acta Crystallographica Section C
48(9)
(1992)
1619-1622 | 278,324 | 2022-10-03 | 14:41:52 | #------------------------------------------------------------------------------
#$Date: 2022-10-03 17:40:12 +0300 (Mon, 03 Oct 2022) $
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2,000,599 | 11.453 | 0.003 | 7.163 | 0.004 | 11.929 | 0.002 | 90 | null | 111.86 | 0.02 | 90 | null | 908.3 | 0.6 | null | null | null | null | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | (4S)-4-Benzyl-3-[(4S,5S)-(1-methoxy-5-methylcyclohexen-4-yl)carbonyl]-2-oxazolidinone | - C19 H23 N O4 - | - C19 H23 N O4 - | - C38 H46 N2 O8 - | 2 | 1 | HH0568 | Marsh, R. E.; Schaefer, W. P.; Kukkola, P. J.; Myers, A. G. | A chiral <i>N</i>-crontonyloxazolidinone Diels-Alder adduct | Acta Crystallographica Section C | 1,992 | 48 | 9 | 1622 | 1624 | 10.1107/S0108270192000738 | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Marsh, R. E.; Schaefer, W. P.; Kukkola, P. J.; Myers, A. G.
A chiral <i>N</i>-crontonyloxazolidinone Diels-Alder adduct
Acta Crystallographica Section C
48(9)
(1992)
1622-1624 | 301,791 | 2025-08-18 | 23:14:59 | #------------------------------------------------------------------------------
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7,205,820 | 10.599 | 0.005 | 12.238 | 0.005 | 13.468 | 0.005 | 73.105 | 0.005 | 70.024 | 0.005 | 88.139 | 0.005 | 1,566.6 | 1.1 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C16 H28 Mo4 N12 Ni O15 - | - C16 H26 Mo4 N12 Ni O15 - | - C32 H52 Mo8 N24 Ni2 O30 - | 2 | 1 | Wang, Xiuli; Li, Jin; Tian, Aixiang; Liu, Guocheng; Gao, Qiang; Lin, Hongyan; Zhao, Dan | A 3D organopolymolybdate polymer with unusual topology functionalized by 1,4-bis(1,2,4-triazol-1-yl)butane through Mo‒N bond | CrystEngComm | 2,011 | 13 | 7 | 2194 | 10.1039/c0ce00845a | 0.71069 | MoKα | 0.0467 | 0.0332 | null | null | 0.0936 | 0.1172 | null | null | null | null | null | 1.091 | null | null | has coordinates,has disorder | Wang, Xiuli; Li, Jin; Tian, Aixiang; Liu, Guocheng; Gao, Qiang; Lin, Hongyan; Zhao, Dan
A 3D organopolymolybdate polymer with unusual topology functionalized by 1,4-bis(1,2,4-triazol-1-yl)butane through Mo‒N bond
CrystEngComm
13(7)
(2011)
2194 | 180,389 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-26 17:21:16 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180389 $
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2,000,600 | 14.686 | 0.005 | 7.59 | 0.002 | 23.578 | 0.006 | 90 | null | 107.47 | 0.01 | 90 | null | 2,506.9 | 1.3 | null | null | null | null | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | - C23 H33 Cl2 N3 O3 - | - C23 H33 Cl2 N3 O3 - | - C92 H132 Cl8 N12 O12 - | 4 | 1 | CR0394 | Mehdi, S.; Ravikumar, K. | Crystal structure of a calcium channel antagonist: 4-(2,4-dichlorophenyl)-<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetraethyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide | Acta Crystallographica Section C | 1,992 | 48 | 9 | 1627 | 1630 | 10.1107/S0108270192001446 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Mehdi, S.; Ravikumar, K.
Crystal structure of a calcium channel antagonist: 4-(2,4-dichlorophenyl)-<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetraethyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide
Acta Crystallographica Section C
48(9)
(1992)
1627-1630 | 301,791 | 2025-08-18 | 23:14:59 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,000,601 | 9.304 | 0.002 | 10.987 | 0.002 | 11.833 | 0.002 | 90 | null | 109.65 | 0.01 | 90 | null | 1,139.2 | 0.4 | null | null | null | null | null | null | null | null | 5 | P 1 21 1 | P 2yb | 4 | - C25 H34 Cl N O3 - | - C25 H34 Cl N O3 - | - C50 H68 Cl2 N2 O6 - | 2 | 1 | AL0525 | Woudenberg, R. H.; Lie, T. S.; van Koningsveld, H.; Maat, L. | Structure of 5β,10α,10β-triethylthebaine hydrochloride | Acta Crystallographica Section C | 1,992 | 48 | 9 | 1630 | 1633 | 10.1107/S0108270192000994 | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Woudenberg, R. H.; Lie, T. S.; van Koningsveld, H.; Maat, L.
Structure of 5β,10α,10β-triethylthebaine hydrochloride
Acta Crystallographica Section C
48(9)
(1992)
1630-1633 | 301,791 | 2025-08-18 | 23:14:59 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,000,602 | 10.946 | 0.004 | 5.817 | 0.002 | 10.551 | 0.004 | 90 | null | 94.15 | 0.03 | 90 | null | 670.1 | 0.4 | null | null | null | null | null | null | null | null | 2 | P 1 21/c 1 | -P 2ybc | 14 | acenaphtho[1,2-a]acenaphthylene | - C22 H12 - | - C22 H12 - | - C44 H24 - | 2 | 0.5 | HA0107 | Jones, P. G.; Bubenitschek, P.; Sheldrick, G. M.; Dyker, G. | Acenaphtho[1,2-<i>a</i>]acenaphthylene at 178 K | Acta Crystallographica Section C | 1,992 | 48 | 9 | 1633 | 1635 | 10.1107/S0108270192001458 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Jones, P. G.; Bubenitschek, P.; Sheldrick, G. M.; Dyker, G.
Acenaphtho[1,2-<i>a</i>]acenaphthylene at 178 K
Acta Crystallographica Section C
48(9)
(1992)
1633-1635 | 206,334 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2018-02-09 13:16:36 +0200 (Fri, 09 Feb 2018) $
#$Revision: 206334 $
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2,000,603 | 10.482 | 0.003 | 8.084 | 0.001 | 18.081 | 0.004 | 90 | null | 92.59 | 0.02 | 90 | null | 1,530.6 | 0.6 | null | null | null | null | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | - C20 H16 O4 - | - C20 H16 O4 - | - C80 H64 O16 - | 4 | 1 | ST0570 | Valente, E. J.; Ruggiero, G.; Eggleston, D. S. | Structure of racemic (±)-6,8-dimethyl-6,12-methano-6<i>H</i>,12<i>H</i>,13<i>H</i>-[1]benzopyran[4,3-<i>d</i>][1,3]benzodioxocin-13-one | Acta Crystallographica Section C | 1,992 | 48 | 9 | 1635 | 1637 | 10.1107/S0108270192001471 | 0.7093 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Valente, E. J.; Ruggiero, G.; Eggleston, D. S.
Structure of racemic (±)-6,8-dimethyl-6,12-methano-6<i>H</i>,12<i>H</i>,13<i>H</i>-[1]benzopyran[4,3-<i>d</i>][1,3]benzodioxocin-13-one
Acta Crystallographica Section C
48(9)
(1992)
1635-1637 | 278,324 | 2022-10-03 | 14:41:52 | #------------------------------------------------------------------------------
#$Date: 2022-10-03 17:40:12 +0300 (Mon, 03 Oct 2022) $
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7,205,819 | 39.642 | 0.006 | 10.6741 | 0.0015 | 19.194 | 0.003 | 90 | null | 94.065 | 0.004 | 90 | null | 8,101 | 2 | 100 | 2 | 100 | 2 | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | - C34 H44 N4 Ni4 O15.38 - | - C34 H44 N4 Ni4 O15.416 - | - C272 H352 N32 Ni32 O123.328 - | 8 | 1 | Zhang, Wen-Hua; Sulaiman, Norlela Binte; Tio, P. X. Shaun; Hor, T. S. Andy | Nuclearity growth towards Ni(ii) cubane in self-assembly with 2-hydroxymethyl pyridine (hmpH) and 5-ethoxycarbonyl-2-hydroxymethyl pyridine (5-ehmpH) | CrystEngComm | 2,011 | 13 | 8 | 2915 | 10.1039/c0ce00831a | 0.71073 | MoKα | 0.0792 | 0.0562 | null | null | 0.131 | 0.1402 | null | null | null | null | null | 1.087 | null | null | has coordinates,has disorder | Zhang, Wen-Hua; Sulaiman, Norlela Binte; Tio, P. X. Shaun; Hor, T. S. Andy
Nuclearity growth towards Ni(ii) cubane in self-assembly with 2-hydroxymethyl pyridine (hmpH) and 5-ethoxycarbonyl-2-hydroxymethyl pyridine (5-ehmpH)
CrystEngComm
13(8)
(2011)
2915 | 180,389 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-26 17:21:16 +0200 (Sat, 26 Mar 2016) $
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2,000,604 | 18.055 | 0.003 | 15.048 | 0.003 | 17.173 | 0.003 | 90 | null | 91.7 | 0.1 | 90 | null | 4,663.7 | 1.5 | null | null | null | null | null | null | null | null | 4 | P 1 21/c 1 | null | - C20 H35 N3 O6 - | - C20.5 H34 N3 O6 - | - C164 H272 N24 O48 - | 8 | 2 | GE0294 | Bardi, R.; Piazzesi, A. M.; Crisma, M.; Toniolo, C.; Sukumar, M.; Balaram, P. | Structure of <i>N</i>-<i>tert</i>-butyloxycarbonyl-α-aminoisobutyryl-<small>DL</small>-pipecolyl-α-aminoisobutyric acid methyl ester | Acta Crystallographica Section C | 1,992 | 48 | 9 | 1645 | 1648 | 10.1107/S0108270192001070 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Bardi, R.; Piazzesi, A. M.; Crisma, M.; Toniolo, C.; Sukumar, M.; Balaram, P.
Structure of <i>N</i>-<i>tert</i>-butyloxycarbonyl-α-aminoisobutyryl-<small>DL</small>-pipecolyl-α-aminoisobutyric acid methyl ester
Acta Crystallographica Section C
48(9)
(1992)
1645-1648 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
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2,000,605 | 8.568 | 0.003 | 8.568 | 0.003 | 6.531 | 0.005 | 90 | null | 90 | null | 90 | null | 479.4 | 0.4 | null | null | null | null | null | null | null | null | 4 | P 4/n :2 | -P 4a | 85 | - Cl4 F6 P Sb - | - Cl4 F6 P Sb - | - Cl8 F12 P2 Sb2 - | 2 | 0.25 | BX0585 | Preut, H.; Lennhoff, D.; Minkwitz, R. | Structure of tetrachlorophosphonium hexafluoroantimonate | Acta Crystallographica Section C | 1,992 | 48 | 9 | 1648 | 1650 | 10.1107/S0108270192001173 | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Preut, H.; Lennhoff, D.; Minkwitz, R.
Structure of tetrachlorophosphonium hexafluoroantimonate
Acta Crystallographica Section C
48(9)
(1992)
1648-1650 | 206,022 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2018-02-01 14:52:20 +0200 (Thu, 01 Feb 2018) $
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2,000,606 | 8.311 | 0.004 | 7.363 | 0.004 | 4.902 | 0.003 | 99.67 | 0.02 | 81.77 | 0.02 | 114.48 | 0.01 | 268.2 | 0.3 | null | null | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - Al H3 Na2 O14 P4 - | - Al Na2 O14 P4 - | - Al Na2 O14 P4 - | 1 | 0.5 | MU0258 | Galí, S.; Cárdenas, A.; Byrappa, K.; Gopalakrishna, G. S. | Structure of aluminium disodium trihydrogenbis(diphosphate) | Acta Crystallographica Section C | 1,992 | 48 | 9 | 1650 | 1652 | 10.1107/S0108270192000611 | 0.7107 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Galí, S.; Cárdenas, A.; Byrappa, K.; Gopalakrishna, G. S.
Structure of aluminium disodium trihydrogenbis(diphosphate)
Acta Crystallographica Section C
48(9)
(1992)
1650-1652 | 278,247 | 2022-09-28 | 15:09:31 | #------------------------------------------------------------------------------
#$Date: 2022-09-28 18:08:17 +0300 (Wed, 28 Sep 2022) $
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2,000,607 | 10.41 | 0.01 | 10.63 | 0.02 | 13.63 | 0.02 | 81.8 | 0.1 | 76.6 | 0.1 | 69.8 | 0.1 | 1,374 | 4 | null | null | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C23 H45 N5 Ni S2 - | - C23 H45 N5 Ni S2 - | - C46 H90 N10 Ni2 S4 - | 2 | 1 | MU0254 | Koman, M.; Jóna, E.; Ďurčanská, E. | Structural investigations of nickel(II) complexes. X. Tris(3,5-dimethylpiperidine)bis(isothiocyanato)nickel(II), [Ni(NCS)~2~(3,5-diMepip)~3~] | Acta Crystallographica Section C | 1,992 | 48 | 9 | 1652 | 1654 | 10.1107/S0108270192000635 | 0.7107 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Koman, M.; Jóna, E.; Ďurčanská, E.
Structural investigations of nickel(II) complexes. X. Tris(3,5-dimethylpiperidine)bis(isothiocyanato)nickel(II), [Ni(NCS)~2~(3,5-diMepip)~3~]
Acta Crystallographica Section C
48(9)
(1992)
1652-1654 | 278,247 | 2022-09-28 | 15:09:31 | #------------------------------------------------------------------------------
#$Date: 2022-09-28 18:08:17 +0300 (Wed, 28 Sep 2022) $
#$Revision: 278247 $
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2,000,608 | 26.499 | 0.013 | 9.037 | 0.006 | 17.419 | 0.007 | 90 | null | 107.33 | 0.03 | 90 | null | 3,982 | 4 | null | null | null | null | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | - C42 H42 Ni2 P2 S4 - | - C42 H42 Ni2 P2 S4 - | - C168 H168 Ni8 P8 S16 - | 4 | 0.5 | AS0501 | Cao, R.; Huang, Z.; Lei, X.; Kang, B.; Hong, M.; Liu, H. | Structure of a dinuclear nickel compound, Ni~2~(PPh~3~)~2~(SC~3~H~6~S)~2~ | Acta Crystallographica Section C | 1,992 | 48 | 9 | 1654 | 1655 | 10.1107/S0108270192000647 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Cao, R.; Huang, Z.; Lei, X.; Kang, B.; Hong, M.; Liu, H.
Structure of a dinuclear nickel compound, Ni~2~(PPh~3~)~2~(SC~3~H~6~S)~2~
Acta Crystallographica Section C
48(9)
(1992)
1654-1655 | 206,336 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2018-02-09 13:44:25 +0200 (Fri, 09 Feb 2018) $
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7,205,818 | 18.0337 | 0.0019 | 20.674 | 0.002 | 14.831 | 0.0016 | 90 | null | 109.676 | 0.002 | 90 | null | 5,206.6 | 0.9 | 100 | 2 | 100 | 2 | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | - C44 H56 N4 Ni4 O22 - | - C44 H56 N4 Ni4 O22 - | - C176 H224 N16 Ni16 O88 - | 4 | 0.5 | Zhang, Wen-Hua; Sulaiman, Norlela Binte; Tio, P. X. Shaun; Hor, T. S. Andy | Nuclearity growth towards Ni(ii) cubane in self-assembly with 2-hydroxymethyl pyridine (hmpH) and 5-ethoxycarbonyl-2-hydroxymethyl pyridine (5-ehmpH) | CrystEngComm | 2,011 | 13 | 8 | 2915 | 10.1039/c0ce00831a | 0.71073 | MoKα | 0.0628 | 0.0452 | null | null | 0.1049 | 0.113 | null | null | null | null | null | 1.058 | null | null | has coordinates | Zhang, Wen-Hua; Sulaiman, Norlela Binte; Tio, P. X. Shaun; Hor, T. S. Andy
Nuclearity growth towards Ni(ii) cubane in self-assembly with 2-hydroxymethyl pyridine (hmpH) and 5-ethoxycarbonyl-2-hydroxymethyl pyridine (5-ehmpH)
CrystEngComm
13(8)
(2011)
2915 | 301,863 | 2025-08-22 | 13:07:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-22 15:50:14 +0300 (Fri, 22 Aug 2025) $
#$Revision: 301863 $
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2,000,609 | 16.149 | 0.001 | 7.205 | 0.005 | 15.358 | 0.005 | 90 | null | 115.09 | 0.05 | 90 | null | 1,618.3 | 1.4 | null | null | null | null | null | null | null | null | 5 | A 1 2/a 1 | -A 2ya | 15 | - C12 H22 Cu I N4 - | - C12 H22 Cu I N4 - | - C48 H88 Cu4 I4 N16 - | 4 | 0.5 | HH0580 | Bao, X.; Holt, E. M. | Structure of the condensation product formed by pyrrolidine, acetonitrile and copper(I) iodide | Acta Crystallographica Section C | 1,992 | 48 | 9 | 1655 | 1657 | 10.1107/S0108270192000684 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Bao, X.; Holt, E. M.
Structure of the condensation product formed by pyrrolidine, acetonitrile and copper(I) iodide
Acta Crystallographica Section C
48(9)
(1992)
1655-1657 | 206,034 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2018-02-01 18:39:22 +0200 (Thu, 01 Feb 2018) $
#$Revision: 206034 $
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2,000,610 | 9.7484 | 0.0007 | 10.3086 | 0.0006 | 19.2656 | 0.0008 | 90 | null | 90 | null | 90 | null | 1,936 | 0.2 | null | null | null | null | null | null | null | null | 5 | P 21 21 21 | P 2ac 2ab | 19 | - C21 H19 N O3 Sn - | - C21 H19 N O3 Sn - | - C84 H76 N4 O12 Sn4 - | 4 | 1 | AS0552 | Lo, K. M.; Ng, S. W.; Wei, C.; Kumar Das, V. G. | Structure of triphenyltin glyoxalate <i>O</i>-methyloxime | Acta Crystallographica Section C | 1,992 | 48 | 9 | 1657 | 1658 | 10.1107/S0108270192000945 | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Lo, K. M.; Ng, S. W.; Wei, C.; Kumar Das, V. G.
Structure of triphenyltin glyoxalate <i>O</i>-methyloxime
Acta Crystallographica Section C
48(9)
(1992)
1657-1658 | 208,466 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2018-06-17 18:45:41 +0300 (Sun, 17 Jun 2018) $
#$Revision: 208466 $
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2,000,611 | 14.5752 | 0.0017 | 9.7304 | 0.0008 | 15.163 | 0.005 | 90 | null | 97.454 | 0.015 | 90 | null | 2,132.3 | 0.8 | null | null | null | null | null | null | null | null | 7 | P 1 21/c 1 | null | - C13 H30 Cl3 Ir O2 P2 S - | - C15 H35 Cl3 Ir O2 P2 S - | - C60 H140 Cl12 Ir4 O8 P8 S4 - | 4 | 1 | HA0103 | Blake, A. J.; Cockman, R. W.; Ebsworth, E. A. V. | Structure of [IrCl~2~(CO)(PEt~3~)~2~(SOCl)] | Acta Crystallographica Section C | 1,992 | 48 | 9 | 1658 | 1660 | 10.1107/S0108270192001240 | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Blake, A. J.; Cockman, R. W.; Ebsworth, E. A. V.
Structure of [IrCl~2~(CO)(PEt~3~)~2~(SOCl)]
Acta Crystallographica Section C
48(9)
(1992)
1658-1660 | 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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2,000,612 | 21.077 | 0.005 | 13.296 | 0.003 | 11.525 | 0.002 | 90 | null | 112.24 | 0.02 | 90 | null | 2,989.5 | 1.2 | null | null | null | null | null | null | null | null | 7 | C 1 2/c 1 | -C 2yc | null | - C15 H35 B2 F8 N5 O7 U - | - C16 H36 B2 F8 N5 O7 U - | - C64 H144 B8 F32 N20 O28 U4 - | 4 | 0.5 | DU0327 | Deshayes, L.; Keller, N.; Lance, M.; Nierlich, M.; Vigner, D. | Structure of pentakis(<i>N</i>,<i>N</i>-dimethylformamide)dioxouranium(VI) tetrafluoroborate | Acta Crystallographica Section C | 1,992 | 48 | 9 | 1660 | 1661 | 10.1107/S0108270192001689 | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Deshayes, L.; Keller, N.; Lance, M.; Nierlich, M.; Vigner, D.
Structure of pentakis(<i>N</i>,<i>N</i>-dimethylformamide)dioxouranium(VI) tetrafluoroborate
Acta Crystallographica Section C
48(9)
(1992)
1660-1661 | 189,213 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-12-19 05:13:03 +0200 (Mon, 19 Dec 2016) $
#$Revision: 189213 $
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2,000,613 | 9.188 | 0.002 | 19.307 | 0.003 | 15.545 | 0.003 | 90 | null | 102.98 | 0.01 | 90 | null | 2,687.1 | 0.9 | null | null | null | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | - C32 H32 P2 Ru - | - C32 H32 P2 Ru - | - C128 H128 P8 Ru4 - | 4 | 1 | LI0120 | Litster, S. A.; Redhouse, A. D.; Simpson, S. J. | Structure of [1,3-bis(diphenylphosphino)propane](η^5^-cyclopentadienyl)hydridoruthenium(II) | Acta Crystallographica Section C | 1,992 | 48 | 9 | 1661 | 1663 | 10.1107/S010827019200132X | 0.7107 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Litster, S. A.; Redhouse, A. D.; Simpson, S. J.
Structure of [1,3-bis(diphenylphosphino)propane](η^5^-cyclopentadienyl)hydridoruthenium(II)
Acta Crystallographica Section C
48(9)
(1992)
1661-1663 | 278,324 | 2022-10-03 | 14:41:52 | #------------------------------------------------------------------------------
#$Date: 2022-10-03 17:40:12 +0300 (Mon, 03 Oct 2022) $
#$Revision: 278324 $
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7,205,817 | 17.1496 | 0.0004 | 17.1496 | 0.0004 | 16.3976 | 0.0008 | 90 | null | 90 | null | 90 | null | 4,822.7 | 0.3 | 100 | 2 | 100 | 2 | null | null | null | null | 6 | I 41/a :2 | -I 4ad | 88 | - C36 H48 Br4 N4 Ni4 O16 - | - C36 H48 Br4 N4 Ni4 O16 - | - C144 H192 Br16 N16 Ni16 O64 - | 4 | 0.25 | Zhang, Wen-Hua; Sulaiman, Norlela Binte; Tio, P. X. Shaun; Hor, T. S. Andy | Nuclearity growth towards Ni(ii) cubane in self-assembly with 2-hydroxymethyl pyridine (hmpH) and 5-ethoxycarbonyl-2-hydroxymethyl pyridine (5-ehmpH) | CrystEngComm | 2,011 | 13 | 8 | 2915 | 10.1039/c0ce00831a | 0.71073 | MoKα | 0.03 | 0.0264 | null | null | 0.0679 | 0.0696 | null | null | null | null | null | 1.08 | null | null | has coordinates | Zhang, Wen-Hua; Sulaiman, Norlela Binte; Tio, P. X. Shaun; Hor, T. S. Andy
Nuclearity growth towards Ni(ii) cubane in self-assembly with 2-hydroxymethyl pyridine (hmpH) and 5-ethoxycarbonyl-2-hydroxymethyl pyridine (5-ehmpH)
CrystEngComm
13(8)
(2011)
2915 | 180,389 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-26 17:21:16 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180389 $
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2,000,614 | 7.398 | 0.001 | 11.439 | 0.002 | 10.727 | 0.002 | 90 | null | 106.42 | 0.01 | 90 | null | 870.8 | 0.3 | null | null | null | null | null | null | null | null | 5 | P 1 21 1 | P 2yb | 4 | - C17 H28 Cl N2 Rh - | - C17 H28 Cl N2 Rh - | - C34 H56 Cl2 N4 Rh2 - | 2 | 1 | SE0084 | Flörke, U.; Ortmann, U.; Haupt, H.-J. | Rhodium(I)-cyclooctadiene (cod) complexes with the <i>N</i>-donor ligands 1,8-diazabicyclo[5.4.0]undec-7-ene (dbu) and 1,5-diazabicyclo[4.3.0]non-5-ene (dbn) | Acta Crystallographica Section C | 1,992 | 48 | 9 | 1663 | 1665 | 10.1107/S0108270191015111 | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Flörke, U.; Ortmann, U.; Haupt, H.-J.
Rhodium(I)-cyclooctadiene (cod) complexes with the <i>N</i>-donor ligands 1,8-diazabicyclo[5.4.0]undec-7-ene (dbu) and 1,5-diazabicyclo[4.3.0]non-5-ene (dbn)
Acta Crystallographica Section C
48(9)
(1992)
1663-1665 | 205,898 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2018-01-30 16:30:45 +0200 (Tue, 30 Jan 2018) $
#$Revision: 205898 $
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2,000,615 | 7.231 | 0.001 | 15.87 | 0.003 | 15.918 | 0.003 | 90 | null | 100.4 | 0.01 | 90 | null | 1,796.7 | 0.5 | null | null | null | null | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | null | - C17 H28 Cl N2 O Rh - | - C18 H26 Cl N2 O Rh - | - C72 H104 Cl4 N8 O4 Rh4 - | 4 | 1 | SE0084 | Flörke, U.; Ortmann, U.; Haupt, H.-J. | Rhodium(I)-cyclooctadiene (cod) complexes with the <i>N</i>-donor ligands 1,8-diazabicyclo[5.4.0]undec-7-ene (dbu) and 1,5-diazabicyclo[4.3.0]non-5-ene (dbn) | Acta Crystallographica Section C | 1,992 | 48 | 9 | 1663 | 1665 | 10.1107/S0108270191015111 | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Flörke, U.; Ortmann, U.; Haupt, H.-J.
Rhodium(I)-cyclooctadiene (cod) complexes with the <i>N</i>-donor ligands 1,8-diazabicyclo[5.4.0]undec-7-ene (dbu) and 1,5-diazabicyclo[4.3.0]non-5-ene (dbn)
Acta Crystallographica Section C
48(9)
(1992)
1663-1665 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/06/2000615.cif $
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2,000,616 | 9.272 | 0.002 | 13.031 | 0.003 | 15.24 | 0.003 | 80.04 | 0.03 | 79.15 | 0.03 | 73.46 | 0.03 | 1,719.6 | 0.7 | null | null | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C20 H40 Cl6 O7 U2 - | - C20 H40 Cl6 O7 U2 - | - C40 H80 Cl12 O14 U4 - | 2 | 1 | HH0562 | Noltemeyer, M.; Gilje, J. W.; Roesky, H. W. | Structure of chlorodioxotetrakis(tetrahydrofuran)uranium(VI) pentachloro(tetrahydrofuran)uranate(IV) | Acta Crystallographica Section C | 1,992 | 48 | 9 | 1665 | 1666 | 10.1107/S0108270192001896 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Noltemeyer, M.; Gilje, J. W.; Roesky, H. W.
Structure of chlorodioxotetrakis(tetrahydrofuran)uranium(VI) pentachloro(tetrahydrofuran)uranate(IV)
Acta Crystallographica Section C
48(9)
(1992)
1665-1666 | 278,247 | 2022-09-28 | 15:09:31 | #------------------------------------------------------------------------------
#$Date: 2022-09-28 18:08:17 +0300 (Wed, 28 Sep 2022) $
#$Revision: 278247 $
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2,000,617 | 13.2099 | 0.0009 | 12.1272 | 0.0012 | 21.847 | 0.002 | 90 | null | 107.4 | 0.006 | 90 | null | 3,339.7 | 0.5 | null | null | null | null | null | null | null | null | 8 | P 1 21/c 1 | -P 2ybc | 14 | - C13 H32 Co F12 N4 Na O16 S4 - | - C13 H32 Co F12 N4 Na O16 S4 - | - C52 H128 Co4 F48 N16 Na4 O64 S16 - | 4 | 1 | ST0558 | Rawji, G. H.; Lynch, V. M. | Structure of diaqua[tris(3-aminopropyl)amine]cobalt(III) aquatetrakis(trifluoromethanesulfonato)sodate(I) monohydrate | Acta Crystallographica Section C | 1,992 | 48 | 9 | 1667 | 1669 | 10.1107/S0108270192001574 | 0.7107 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Rawji, G. H.; Lynch, V. M.
Structure of diaqua[tris(3-aminopropyl)amine]cobalt(III) aquatetrakis(trifluoromethanesulfonato)sodate(I) monohydrate
Acta Crystallographica Section C
48(9)
(1992)
1667-1669 | 208,377 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2018-06-14 15:53:24 +0300 (Thu, 14 Jun 2018) $
#$Revision: 208377 $
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7,205,816 | 28.336 | 0.006 | 8.9991 | 0.0018 | 21.869 | 0.004 | 90 | null | 110.33 | 0.03 | 90 | null | 5,229 | 2 | 100 | 2 | 100 | 2 | null | null | null | null | 6 | C 1 2 1 | C 2y | 5 | - C82 H99 Br6 N9 Ni3 O28 - | - C82 H99 Br6 N9 Ni3 O28 - | - C164 H198 Br12 N18 Ni6 O56 - | 2 | 0.5 | Zhang, Wen-Hua; Sulaiman, Norlela Binte; Tio, P. X. Shaun; Hor, T. S. Andy | Nuclearity growth towards Ni(ii) cubane in self-assembly with 2-hydroxymethyl pyridine (hmpH) and 5-ethoxycarbonyl-2-hydroxymethyl pyridine (5-ehmpH) | CrystEngComm | 2,011 | 13 | 8 | 2915 | 10.1039/c0ce00831a | 0.71073 | MoKα | 0.1406 | 0.0802 | null | null | 0.1967 | 0.2377 | null | null | null | null | null | 0.992 | null | null | has coordinates,has disorder | Zhang, Wen-Hua; Sulaiman, Norlela Binte; Tio, P. X. Shaun; Hor, T. S. Andy
Nuclearity growth towards Ni(ii) cubane in self-assembly with 2-hydroxymethyl pyridine (hmpH) and 5-ethoxycarbonyl-2-hydroxymethyl pyridine (5-ehmpH)
CrystEngComm
13(8)
(2011)
2915 | 180,389 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-26 17:21:16 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180389 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/58/7205816.cif $
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2,000,618 | 12.8896 | 0.0005 | 12.8896 | 0.0005 | 19.1855 | 0.0007 | 90 | null | 90 | null | 120 | null | 2,760.47 | 0.18 | null | null | null | null | null | null | null | null | 4 | R -3 :H | -R 3 | 148 | tris(phenylseleno)phosphine | - C18 H15 P Se3 - | - C18 H15 P Se3 - | - C108 H90 P6 Se18 - | 6 | 0.333333 | HH0566 | Keder, N. L.; Shibao, R. K.; Eckert, H. | Structure of tris(phenylseleno)phosphine | Acta Crystallographica Section C | 1,992 | 48 | 9 | 1670 | 1671 | 10.1107/S010827019101497X | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Keder, N. L.; Shibao, R. K.; Eckert, H.
Structure of tris(phenylseleno)phosphine
Acta Crystallographica Section C
48(9)
(1992)
1670-1671 | 301,791 | 2025-08-18 | 23:14:59 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/06/2000618.cif $
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2,000,619 | 7.322 | 0.001 | 10.029 | 0.001 | 7.155 | 0.001 | 89.96 | 0.01 | 99.72 | 0.01 | 95.14 | 0.01 | 515.73 | 0.11 | null | null | null | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C9 H12 N4 O3 - | - C9 H12 N4 O3 - | - C18 H24 N8 O6 - | 2 | 1 | PA0265 | Gimeno, B.; Soto, L.; Sancho, A.; Dahan, F.; Legros, J.-P. | Structure of 3,3-bis(2-imidazolyl)propionic acid monohydrate | Acta Crystallographica Section C | 1,992 | 48 | 9 | 1671 | 1673 | 10.1107/S0108270191015068 | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Gimeno, B.; Soto, L.; Sancho, A.; Dahan, F.; Legros, J.-P.
Structure of 3,3-bis(2-imidazolyl)propionic acid monohydrate
Acta Crystallographica Section C
48(9)
(1992)
1671-1673 | 301,791 | 2025-08-18 | 23:14:59 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/06/2000619.cif $
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2,000,620 | 12.62 | 0.003 | 15.719 | 0.005 | 9.945 | 0.002 | 90 | null | 90.14 | 0.02 | 90 | null | 1,972.8 | 0.9 | null | null | null | null | null | null | null | null | 5 | P 1 21/a 1 | -P 2yab | null | - C8 H24 Cl6 N2 Te - | - C8 H24 Cl6 N2 Te - | - C32 H96 Cl24 N8 Te4 - | 4 | 1 | AS0574 | Ishida, H.; Kashino, S. | Structure of <i>tert</i>-butylammonium hexachlorotellurate(IV) | Acta Crystallographica Section C | 1,992 | 48 | 9 | 1673 | 1675 | 10.1107/S0108270191015147 | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Ishida, H.; Kashino, S.
Structure of <i>tert</i>-butylammonium hexachlorotellurate(IV)
Acta Crystallographica Section C
48(9)
(1992)
1673-1675 | 199,682 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-08-09 16:39:09 +0300 (Wed, 09 Aug 2017) $
#$Revision: 199682 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/06/2000620.cif $
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2,000,621 | 9.182 | 0.011 | 9.774 | 0.009 | 11.784 | 0.01 | 107.27 | 0.07 | 100.16 | 0.08 | 98.05 | 0.09 | 973 | 1.8 | null | null | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C32 H58 Ge2 N6 Si2 - | - C32 H58 Ge2 N6 Si2 - | - C32 H58 Ge2 N6 Si2 - | 1 | 0.5 | KA0016 | Preut, H.; Klein, B.; Neumann, W. P. | 1,3,7,9-Tetra-<i>tert</i>-butyl-2,2,8,8-tetramethyl-5,10-diphenyl-1,3,5,7,9,10-hexaaza-2,8-disila-4,6-digermadispiro[3.1.3.1]decane | Acta Crystallographica Section C | 1,992 | 48 | 9 | 1675 | 1677 | 10.1107/S0108270192000453 | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Preut, H.; Klein, B.; Neumann, W. P.
1,3,7,9-Tetra-<i>tert</i>-butyl-2,2,8,8-tetramethyl-5,10-diphenyl-1,3,5,7,9,10-hexaaza-2,8-disila-4,6-digermadispiro[3.1.3.1]decane
Acta Crystallographica Section C
48(9)
(1992)
1675-1677 | 301,791 | 2025-08-18 | 23:14:59 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/06/2000621.cif $
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2,000,622 | 9.762 | 0.004 | 10.689 | 0.005 | 8.387 | 0.003 | 96.97 | 0.04 | 102.26 | 0.03 | 76.74 | 0.04 | 830 | 0.6 | null | null | null | null | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C17 H11 Cl N2 O4 S - | - C17 H11 Cl N2 O4 S - | - C34 H22 Cl2 N4 O8 S2 - | 2 | 1 | ST0564 | Muir, J. A.; Cox, O.; Bernard, L. A.; Muir, M. M. | Structure of a twisted styrylbenzothiazole, 2-(α-acetoxy-2-chloro-5-nitrostyryl)benzothiazole | Acta Crystallographica Section C | 1,992 | 48 | 9 | 1677 | 1679 | 10.1107/S010827019200043X | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Muir, J. A.; Cox, O.; Bernard, L. A.; Muir, M. M.
Structure of a twisted styrylbenzothiazole, 2-(α-acetoxy-2-chloro-5-nitrostyryl)benzothiazole
Acta Crystallographica Section C
48(9)
(1992)
1677-1679 | 301,791 | 2025-08-18 | 23:14:59 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/06/2000622.cif $
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7,205,815 | 13.7506 | 0.0005 | 22.6852 | 0.0008 | 25.2982 | 0.0008 | 110.525 | 0.001 | 93.087 | 0.001 | 105.933 | 0.001 | 7,007.1 | 0.4 | 223 | 2 | 223 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C110 H139 Br12 N13 Ni6 O38 - | - C110 H139 Br12 N13 Ni6 O38 - | - C220 H278 Br24 N26 Ni12 O76 - | 2 | 1 | Zhang, Wen-Hua; Sulaiman, Norlela Binte; Tio, P. X. Shaun; Hor, T. S. Andy | Nuclearity growth towards Ni(ii) cubane in self-assembly with 2-hydroxymethyl pyridine (hmpH) and 5-ethoxycarbonyl-2-hydroxymethyl pyridine (5-ehmpH) | CrystEngComm | 2,011 | 13 | 8 | 2915 | 10.1039/c0ce00831a | 0.71073 | MoKα | 0.1121 | 0.0693 | null | null | 0.1866 | 0.2088 | null | null | null | null | null | 1.061 | null | null | has coordinates,has disorder | Zhang, Wen-Hua; Sulaiman, Norlela Binte; Tio, P. X. Shaun; Hor, T. S. Andy
Nuclearity growth towards Ni(ii) cubane in self-assembly with 2-hydroxymethyl pyridine (hmpH) and 5-ethoxycarbonyl-2-hydroxymethyl pyridine (5-ehmpH)
CrystEngComm
13(8)
(2011)
2915 | 301,863 | 2025-08-22 | 13:07:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-22 15:50:14 +0300 (Fri, 22 Aug 2025) $
#$Revision: 301863 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/58/7205815.cif $
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2,000,623 | 10.646 | 0.001 | 10.646 | 0.001 | 5.752 | 0.002 | 90 | null | 90 | null | 90 | null | 651.9 | 0.2 | null | null | null | null | null | null | null | null | 4 | P 41 | P 41 | null | - C3 H5 N3 O5 - | - C3 H5 N3 O5 - | - C12 H20 N12 O20 - | 4 | 1 | HH0586 | Gilardi, R.; George, C.; Flippen-Anderson, J. L. | Structure of 3-nitrato-1-nitroazetidine | Acta Crystallographica Section C | 1,992 | 48 | 9 | 1679 | 1680 | 10.1107/S0108270192000696 | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Gilardi, R.; George, C.; Flippen-Anderson, J. L.
Structure of 3-nitrato-1-nitroazetidine
Acta Crystallographica Section C
48(9)
(1992)
1679-1680 | 301,791 | 2025-08-18 | 23:14:59 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/06/2000623.cif $
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2,000,624 | 6.301 | 0.001 | 7.858 | 0.001 | 8.736 | 0.001 | 85.88 | 0.01 | 84.62 | 0.01 | 85.13 | 0.01 | 428.2 | 0.1 | null | null | null | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C4 H4 N4 O8 - | - C4 H4 N4 O8 - | - C8 H8 N8 O16 - | 2 | 1 | HH0587 | Gilardi, R.; George, C.; Flippen-Anderson, J. L. | Structure of 1,1,3,3-tetranitrocyclobutane | Acta Crystallographica Section C | 1,992 | 48 | 9 | 1680 | 1681 | 10.1107/S0108270192000702 | 1.54184 | Cu | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Gilardi, R.; George, C.; Flippen-Anderson, J. L.
Structure of 1,1,3,3-tetranitrocyclobutane
Acta Crystallographica Section C
48(9)
(1992)
1680-1681 | 301,791 | 2025-08-18 | 23:14:59 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/06/2000624.cif $
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2,000,625 | 8.67 | 0.001 | 17.149 | 0.001 | 9.224 | 0.001 | 90 | null | 95.88 | 0.01 | 90 | null | 1,364.2 | 0.2 | null | null | null | null | null | null | null | null | 4 | P 1 21 1 | null | - C20 H36 O5 S5 - | - C20 H36 O5 S5 - | - C40 H72 O10 S10 - | 2 | 1 | GE0300 | Divjaković, V.; Miljković, D.; Lajšić, S.; Klement, U. | Structure of 4,5-di-<i>O</i>-acetyl-6-<i>S</i>-acetyl-2,3-di-<i>S</i>-ethyl-2,3,6-trithio-<small>D</small>-allose diethyl dithioacetal | Acta Crystallographica Section C | 1,992 | 48 | 9 | 1685 | 1686 | 10.1107/S0108270192000775 | 1.54178 | Cu | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Divjaković, V.; Miljković, D.; Lajšić, S.; Klement, U.
Structure of 4,5-di-<i>O</i>-acetyl-6-<i>S</i>-acetyl-2,3-di-<i>S</i>-ethyl-2,3,6-trithio-<small>D</small>-allose diethyl dithioacetal
Acta Crystallographica Section C
48(9)
(1992)
1685-1686 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,000,626 | 16.8 | 0.002 | 20.071 | 0.002 | 9.429 | 0.001 | 90 | null | 90 | null | 90 | null | 3,179.4 | 0.6 | null | null | null | null | null | null | null | null | 3 | P b c a | null | - C18 H20 O5 - | - C18 H20 O5 - | - C144 H160 O40 - | 8 | 1 | BR0013 | Sicheri, F. V.; Derry, W. B.; Gupta, R. S.; Yang, D. S.-C. | Structure of 5-(2-hydroxyethoxy)-6-[1-(4-methoxyphenyl)ethyl]-1,3-benzodioxole | Acta Crystallographica Section C | 1,992 | 48 | 9 | 1687 | 1689 | 10.1107/S0108270192001197 | 1.54178 | Cu | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Sicheri, F. V.; Derry, W. B.; Gupta, R. S.; Yang, D. S.-C.
Structure of 5-(2-hydroxyethoxy)-6-[1-(4-methoxyphenyl)ethyl]-1,3-benzodioxole
Acta Crystallographica Section C
48(9)
(1992)
1687-1689 | 301,791 | 2025-08-18 | 23:14:59 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,000,627 | 7.598 | 0.003 | 25.635 | 0.002 | 5.774 | 0.003 | 90 | null | 90 | null | 90 | null | 1,124.6 | 0.7 | null | null | null | null | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | - C11 H14 O S2 - | - C11 H14 O S2 - | - C44 H56 O4 S8 - | 4 | 1 | LI0121 | Barkley, J.; Harding, M. M.; Kariuki, B. M.; Namwindwa, E. S.; Page, P. C. B. | <i>syn</i>-2-Benzyl-1,3-dithiane 1-oxide | Acta Crystallographica Section C | 1,992 | 48 | 9 | 1689 | 1690 | 10.1107/S0108270192000878 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Barkley, J.; Harding, M. M.; Kariuki, B. M.; Namwindwa, E. S.; Page, P. C. B.
<i>syn</i>-2-Benzyl-1,3-dithiane 1-oxide
Acta Crystallographica Section C
48(9)
(1992)
1689-1690 | 301,791 | 2025-08-18 | 23:14:59 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,000,628 | 8.633 | 0.001 | 9.966 | 0.002 | 13.317 | 0.004 | 92.01 | 0.02 | 102.9 | 0.02 | 106.25 | 0.01 | 1,066.4 | 0.4 | null | null | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C24 H20 N O4 P - | - C24 H20 N O4 P - | - C48 H40 N2 O8 P2 - | 2 | 1 | CD0076 | Fuquen, R. M.; Lechat, J. R. | Structure of the 1:1 complex formed by triphenylphosphine oxide and 4-nitrophenol | Acta Crystallographica Section C | 1,992 | 48 | 9 | 1690 | 1692 | 10.1107/S0108270192001227 | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Fuquen, R. M.; Lechat, J. R.
Structure of the 1:1 complex formed by triphenylphosphine oxide and 4-nitrophenol
Acta Crystallographica Section C
48(9)
(1992)
1690-1692 | 301,791 | 2025-08-18 | 23:14:59 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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7,205,814 | 17.2034 | 0.0008 | 12.6231 | 0.0007 | 16.8913 | 0.0009 | 90 | null | 105.234 | 0.001 | 90 | null | 3,539.2 | 0.3 | 100 | 2 | 100 | 2 | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | - C32 H36 N4 Ni4 O12 - | - C32 H36 N4 Ni4 O12 - | - C128 H144 N16 Ni16 O48 - | 4 | 0.5 | Zhang, Wen-Hua; Sulaiman, Norlela Binte; Tio, P. X. Shaun; Hor, T. S. Andy | Nuclearity growth towards Ni(ii) cubane in self-assembly with 2-hydroxymethyl pyridine (hmpH) and 5-ethoxycarbonyl-2-hydroxymethyl pyridine (5-ehmpH) | CrystEngComm | 2,011 | 13 | 8 | 2915 | 10.1039/c0ce00831a | 0.71073 | MoKα | 0.0362 | 0.0314 | null | null | 0.0803 | 0.0827 | null | null | null | null | null | 1.06 | null | null | has coordinates | Zhang, Wen-Hua; Sulaiman, Norlela Binte; Tio, P. X. Shaun; Hor, T. S. Andy
Nuclearity growth towards Ni(ii) cubane in self-assembly with 2-hydroxymethyl pyridine (hmpH) and 5-ethoxycarbonyl-2-hydroxymethyl pyridine (5-ehmpH)
CrystEngComm
13(8)
(2011)
2915 | 301,863 | 2025-08-22 | 13:07:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-22 15:50:14 +0300 (Fri, 22 Aug 2025) $
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2,000,629 | 7.6209 | 0.0002 | 9.1292 | 0.0003 | 9.6135 | 0.0005 | 90 | null | 90 | null | 90 | null | 668.84 | 0.04 | null | null | null | null | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | null | - C6 H10 O4 - | - C6 H10 O4 - | - C24 H40 O16 - | 4 | 1 | HH0600 | Garcia, J. G.; Voll, R. J.; Fronczek, F. R.; Younathan, E. S. | Structure of 2,5:3,4-dianhydro-<small>D</small>-altritol | Acta Crystallographica Section C | 1,992 | 48 | 9 | 1692 | 1694 | 10.1107/S0108270192001057 | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Garcia, J. G.; Voll, R. J.; Fronczek, F. R.; Younathan, E. S.
Structure of 2,5:3,4-dianhydro-<small>D</small>-altritol
Acta Crystallographica Section C
48(9)
(1992)
1692-1694 | 301,791 | 2025-08-18 | 23:14:59 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,000,630 | 3.8036 | 0.0007 | 7.643 | 0.001 | 22.818 | 0.005 | 90 | null | 91.36 | null | 90 | null | 663.2 | 0.2 | null | null | null | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | - C8 H5 N O2 - | - C8 H5 N O2 - | - C32 H20 N4 O8 - | 4 | 1 | AS0549 | Ng, S. W. | Structure of 1<i>H</i>-isoindole-1,3(2<i>H</i>)-dione (phthalimide) | Acta Crystallographica Section C | 1,992 | 48 | 9 | 1694 | 1695 | 10.1107/S0108270192000957 | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Ng, S. W.
Structure of 1<i>H</i>-isoindole-1,3(2<i>H</i>)-dione (phthalimide)
Acta Crystallographica Section C
48(9)
(1992)
1694-1695 | 301,791 | 2025-08-18 | 23:14:59 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,000,631 | 9.496 | 0.001 | 12.508 | 0.002 | 23.317 | 0.004 | 90 | null | 90 | null | 90 | null | 2,769.5 | 0.7 | null | null | null | null | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | - C24 H44 O7 Si - | - C24 H44 O7 Si - | - C96 H176 O28 Si4 - | 4 | 1 | ST0553 | Abboud, K. A.; Enholm, E. J.; Trivellas, A. | Structure of a densely oxygenated carbocycle | Acta Crystallographica Section C | 1,992 | 48 | 9 | 1695 | 1698 | 10.1107/S0108270192001033 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates,has disorder | Abboud, K. A.; Enholm, E. J.; Trivellas, A.
Structure of a densely oxygenated carbocycle
Acta Crystallographica Section C
48(9)
(1992)
1695-1698 | 301,791 | 2025-08-18 | 23:14:59 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,000,632 | 8.075 | 0.002 | 10.086 | 0.003 | 7.465 | 0.002 | 92.17 | 0.03 | 93.91 | 0.03 | 96.58 | 0.02 | 601.9 | 0.3 | null | null | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C9 H14 Cl N O6 - | - C9 H14 Cl N O6 - | - C18 H28 Cl2 N2 O12 - | 2 | 1 | AS0581 | Okabe, N.; Mori, S. | Structure of 3-methoxytyramine perchlorate | Acta Crystallographica Section C | 1,992 | 48 | 9 | 1698 | 1699 | 10.1107/S0108270192001367 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Okabe, N.; Mori, S.
Structure of 3-methoxytyramine perchlorate
Acta Crystallographica Section C
48(9)
(1992)
1698-1699 | 301,791 | 2025-08-18 | 23:14:59 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,000,633 | 29.512 | 0.005 | 9.142 | 0.001 | 10.872 | 0.002 | 90 | null | 92.46 | 0.01 | 90 | null | 2,930.5 | 0.8 | null | null | null | null | null | null | null | null | 4 | C 1 2/c 1 | null | - C12 H20 N6 O7 - | - C10.5 H17 N6 O6.5 - | - C84 H136 N48 O52 - | 8 | 1 | HH0607 | George, C.; Gilardi, R.; Flippen-Anderson, J. L. | Structure of an acetone solvate of 7,9-diacetyl-2,5-dinitro-2,5,7,9-tetraazabicyclo[4.3.0]nonane | Acta Crystallographica Section C | 1,992 | 48 | 9 | 1699 | 1701 | 10.1107/S0108270192000933 | 1.54184 | Cu | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | George, C.; Gilardi, R.; Flippen-Anderson, J. L.
Structure of an acetone solvate of 7,9-diacetyl-2,5-dinitro-2,5,7,9-tetraazabicyclo[4.3.0]nonane
Acta Crystallographica Section C
48(9)
(1992)
1699-1701 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
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2,000,634 | 8.1261 | 0.0011 | 14.4215 | 0.0009 | 7.6839 | 0.0006 | 90 | null | 103.173 | 0.009 | 90 | null | 876.79 | 0.15 | null | null | null | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | - C9 H9 Cl O2 - | - C9 H9 Cl O2 - | - C36 H36 Cl4 O8 - | 4 | 1 | ST0566 | Evans, K. L.; Fronczek, F. R.; Gandour, R. D. | 2-Chloro-2'-methoxyacetophenone and 2-chloro-4'-methoxyacetophenone | Acta Crystallographica Section C | 1,992 | 48 | 9 | 1701 | 1703 | 10.1107/S0108270192001586 | 1.54184 | Cu | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Evans, K. L.; Fronczek, F. R.; Gandour, R. D.
2-Chloro-2'-methoxyacetophenone and 2-chloro-4'-methoxyacetophenone
Acta Crystallographica Section C
48(9)
(1992)
1701-1703 | 301,791 | 2025-08-18 | 23:14:59 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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7,205,813 | 20.5097 | 0.0016 | 7.9119 | 0.0006 | 12.3903 | 0.001 | 90 | null | 123.334 | 0.001 | 90 | null | 1,679.8 | 0.2 | 223 | 2 | 223 | 2 | null | null | null | null | 6 | C 1 2/c 1 | -C 2yc | 15 | - C12 H18 Br2 N2 Ni O4 - | - C12 H18 Br2 N2 Ni O4 - | - C48 H72 Br8 N8 Ni4 O16 - | 4 | 0.5 | Zhang, Wen-Hua; Sulaiman, Norlela Binte; Tio, P. X. Shaun; Hor, T. S. Andy | Nuclearity growth towards Ni(ii) cubane in self-assembly with 2-hydroxymethyl pyridine (hmpH) and 5-ethoxycarbonyl-2-hydroxymethyl pyridine (5-ehmpH) | CrystEngComm | 2,011 | 13 | 8 | 2915 | 10.1039/c0ce00831a | 0.71073 | MoKα | 0.0427 | 0.0357 | null | null | 0.0898 | 0.1132 | null | null | null | null | null | 1.227 | null | null | has coordinates | Zhang, Wen-Hua; Sulaiman, Norlela Binte; Tio, P. X. Shaun; Hor, T. S. Andy
Nuclearity growth towards Ni(ii) cubane in self-assembly with 2-hydroxymethyl pyridine (hmpH) and 5-ethoxycarbonyl-2-hydroxymethyl pyridine (5-ehmpH)
CrystEngComm
13(8)
(2011)
2915 | 301,863 | 2025-08-22 | 13:07:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-22 15:50:14 +0300 (Fri, 22 Aug 2025) $
#$Revision: 301863 $
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2,000,635 | 7.6079 | 0.0007 | 12.296 | 0.002 | 9.924 | 0.0013 | 90 | null | 111.097 | 0.009 | 90 | null | 866.1 | 0.2 | null | null | null | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | - C9 H9 Cl O2 - | - C9 H9 Cl O2 - | - C36 H36 Cl4 O8 - | 4 | 1 | ST0566 | Evans, K. L.; Fronczek, F. R.; Gandour, R. D. | 2-Chloro-2'-methoxyacetophenone and 2-chloro-4'-methoxyacetophenone | Acta Crystallographica Section C | 1,992 | 48 | 9 | 1701 | 1703 | 10.1107/S0108270192001586 | 1.54184 | Cu | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Evans, K. L.; Fronczek, F. R.; Gandour, R. D.
2-Chloro-2'-methoxyacetophenone and 2-chloro-4'-methoxyacetophenone
Acta Crystallographica Section C
48(9)
(1992)
1701-1703 | 301,791 | 2025-08-18 | 23:14:59 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,000,636 | 9.441 | 0.004 | 10.378 | 0.004 | 20.023 | 0.009 | 90 | null | 91.56 | 0.03 | 90 | null | 1,961.1 | 1.4 | null | null | null | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | - C20 H29 I N2 - | - C20 H29 I N2 - | - C80 H116 I4 N8 - | 4 | 1 | ST0569 | Lynch, V. M.; Liao, Y.; Martin, S. F.; Davis, B. E. | Structure of a tricyclic subunit of manzamine A | Acta Crystallographica Section C | 1,992 | 48 | 9 | 1703 | 1705 | 10.1107/S0108270192001045 | 0.7107 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Lynch, V. M.; Liao, Y.; Martin, S. F.; Davis, B. E.
Structure of a tricyclic subunit of manzamine A
Acta Crystallographica Section C
48(9)
(1992)
1703-1705 | 301,791 | 2025-08-18 | 23:14:59 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,000,637 | 10.4097 | 0.0007 | 22.186 | 0.002 | 12.742 | 0.001 | 90 | null | 101.51 | 0.01 | 90 | null | 2,883.6 | 0.4 | null | null | null | null | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | - C22 H29 F6 N8 O4 P - | - C22 H29 F6 N8 O4 P - | - C88 H116 F24 N32 O16 P4 - | 4 | 1 | PA0273 | Soto, L.; Garcia-Lozano, J.; Martinez, M.; Dahan, F.; Legros, J.-P. | Structure of mepirizole.H(mepirizole) hexafluorophosphate | Acta Crystallographica Section C | 1,992 | 48 | 9 | 1705 | 1707 | 10.1107/S0108270192001380 | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Soto, L.; Garcia-Lozano, J.; Martinez, M.; Dahan, F.; Legros, J.-P.
Structure of mepirizole.H(mepirizole) hexafluorophosphate
Acta Crystallographica Section C
48(9)
(1992)
1705-1707 | 301,791 | 2025-08-18 | 23:14:59 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,000,638 | 7.4783 | 0.0015 | 10.81 | 0.003 | 10.731 | 0.003 | 90 | null | 90 | null | 90 | null | 867.5 | 0.4 | 150 | 0.1 | null | null | null | null | null | null | 4 | C m c m | -C 2c 2 | null | - C5 I Mn O5 - | - C5 I Mn O5 - | - C20 I4 Mn4 O20 - | 4 | 0.25 | HA1007 | Blake, A. J.; Johnson, B. F. G.; Sieker, A. | Pentacarbonyliodomanganese(I) | Acta Crystallographica Section C | 1,992 | 48 | 9 | 1708 | 1709 | 10.1107/S0108270192005559 | 0.71073 | MoKα | null | 0.0117 | null | null | 0.0163 | null | null | null | null | 0.68 | 0.68 | null | null | null | has coordinates | Blake, A. J.; Johnson, B. F. G.; Sieker, A.
Pentacarbonyliodomanganese(I)
Acta Crystallographica Section C
48(9)
(1992)
1708-1709 | 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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2,000,639 | 6.462 | 0.001 | 6.278 | 0.001 | 18.72 | 0.003 | 90 | null | 95.89 | 0.01 | 90 | null | 755.4 | 0.2 | 293 | null | null | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | Bis-(pentacarbonylmanganese)-mercury | - C10 Hg Mn2 O10 - | - C10 Hg Mn2 O10 - | - C20 Hg2 Mn4 O20 - | 2 | 0.5 | NA1007 | Flörke, U.; Haupt, H.-J. | A new modification of Hg[Mn(CO)~5~]~2~ | Acta Crystallographica Section C | 1,992 | 48 | 9 | 1709 | 1710 | 10.1107/S010827019200581X | 0.71073 | MolybdenumKα | null | 0.027 | null | null | 0.029 | null | null | null | null | 1.543 | 1.543 | null | null | null | has coordinates | Flörke, U.; Haupt, H.-J.
A new modification of Hg[Mn(CO)~5~]~2~
Acta Crystallographica Section C
48(9)
(1992)
1709-1710 | 208,377 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2018-06-14 15:53:24 +0300 (Thu, 14 Jun 2018) $
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2,000,640 | 11.476 | 0.001 | 13.177 | 0.001 | 9.267 | 0.001 | 106.19 | 0.01 | 96.38 | 0.01 | 96 | 0.01 | 1,323.9 | 0.2 | 299 | null | 299 | 1 | null | null | null | null | 4 | P -1 | -P 1 | 2 | trans-1,3-bis(diphenylphosphinoyl)cyclohexane | - C30 H30 O2 P2 - | - C30 H30 O2 P2 - | - C60 H60 O4 P4 - | 2 | 1 | AS1010 | Morooka, M.; Hashimoto, T.; Maeta, H.; Matsumoto, T.; Suzuki, K.; Ohba, S. | <i>trans</i>-1,3-Bis(diphenylphosphinoyl)cyclohexane | Acta Crystallographica Section C | 1,992 | 48 | 9 | 1710 | 1712 | 10.1107/S010827019200605X | 0.71073 | MoKα | null | 0.046 | null | null | 0.037 | null | null | null | null | 2.787 | 2.787 | null | null | null | has coordinates | Morooka, M.; Hashimoto, T.; Maeta, H.; Matsumoto, T.; Suzuki, K.; Ohba, S.
<i>trans</i>-1,3-Bis(diphenylphosphinoyl)cyclohexane
Acta Crystallographica Section C
48(9)
(1992)
1710-1712 | 301,791 | 2025-08-18 | 23:14:59 | #------------------------------------------------------------------------------
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7,205,812 | 22.9431 | 0.0016 | 21.5429 | 0.001 | 20.9251 | 0.0014 | 90 | null | 117.282 | 0.009 | 90 | null | 9,192 | 1.2 | 291 | 2 | 291 | 2 | null | null | null | null | 4 | C 1 2 1 | C 2y | 5 | - C120 H198 O72 Tb14 - | - C120 H198 O72 Tb14 - | - C240 H396 O144 Tb28 - | 2 | 0.5 | Li, Xi-Li; He, Lai-Fu; Feng, Xiang-Li; Song, You; Hu, Min; Han, Li-Feng; Zheng, Xian-Jun; Zhang, Zhi-Hong; Fang, Shao-Ming | Two chiral tetradecanuclear hydroxo-lanthanide clusters with luminescent and magnetic properties | CrystEngComm | 2,011 | 13 | 11 | 3643 | 10.1039/c0ce00826e | 0.71073 | MoKα | 0.0504 | 0.0416 | null | null | 0.0924 | 0.0945 | null | null | null | null | null | 1.059 | null | null | has coordinates,has disorder | Li, Xi-Li; He, Lai-Fu; Feng, Xiang-Li; Song, You; Hu, Min; Han, Li-Feng; Zheng, Xian-Jun; Zhang, Zhi-Hong; Fang, Shao-Ming
Two chiral tetradecanuclear hydroxo-lanthanide clusters with luminescent and magnetic properties
CrystEngComm
13(11)
(2011)
3643 | 176,432 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,000,641 | 5.236 | 0.001 | 10.246 | 0.002 | 10.884 | 0.002 | 89.368 | 0.004 | 76.092 | 0.003 | 86.412 | 0.004 | 565.67 | 0.19 | 293 | null | null | null | null | null | null | null | 3 | P -1 | -P 1 | 2 | - C15 H10 O3 - | - C15 H10 O3 - | - C30 H20 O6 - | 2 | 1 | LI1005 | Seetharaman, J.; Rajan, S. S. | Structure of 6-hydroxyflavone | Acta Crystallographica Section C | 1,992 | 48 | 9 | 1714 | 1715 | 10.1107/S0108270192005456 | 1.5418 | CuKα | null | 0.057 | null | null | 0.056 | null | null | null | null | 0.783 | 0.783 | null | null | null | has coordinates | Seetharaman, J.; Rajan, S. S.
Structure of 6-hydroxyflavone
Acta Crystallographica Section C
48(9)
(1992)
1714-1715 | 301,791 | 2025-08-18 | 23:14:59 | #------------------------------------------------------------------------------
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2,000,642 | 6.532 | 0.004 | 7.387 | 0.006 | 8.743 | 0.007 | 70.23 | 0.06 | 83.25 | 0.06 | 66.32 | 0.05 | 363.5 | 0.5 | 293 | 1 | 293 | 1 | null | null | null | null | 3 | P -1 | -P 1 | 2 | 1,4-Dibenzoylbenzene | - C20 H14 O2 - | - C20 H14 O2 - | - C20 H14 O2 - | 1 | 0.5 | AL1018 | Kolev, T.; Preut, H.; Bleckmann, P.; Juchnovski, I. | 1,4-Dibenzoylbenzene | Acta Crystallographica Section C | 1,992 | 48 | 9 | 1715 | 1717 | 10.1107/S0108270192006887 | 0.71073 | MoKα | null | 0.039 | null | null | 0.062 | null | null | null | null | 0.85 | 0.85 | null | null | null | has coordinates | Kolev, T.; Preut, H.; Bleckmann, P.; Juchnovski, I.
1,4-Dibenzoylbenzene
Acta Crystallographica Section C
48(9)
(1992)
1715-1717 | 301,791 | 2025-08-18 | 23:14:59 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,000,643 | 16.636 | 0.004 | 16.873 | 0.003 | 8.881 | 0.002 | 90 | null | 90 | null | 90 | null | 2,492.9 | 0.9 | 296 | null | 296 | null | null | null | null | null | 4 | C c c a :2 | -C 2a 2ac | 68 | cyclen | 1,4,7,10-tetrazacyclododecane | - C8 H26 N4 O3 - | - C8 H26 N4 O3 - | - C64 H208 N32 O24 - | 8 | 0.5 | ST1013 | Reibenspies, J. H. | Structure of 1,4,7,10-tetraazacyclododecane trihydrate | Acta Crystallographica Section C | 1,992 | 48 | 9 | 1717 | 1718 | 10.1107/S0108270192006723 | 0.71073 | MoKα | 0.0715 | 0.052 | null | 0.0622 | 0.0586 | null | null | null | 1.302 | 1.452 | 1.452 | null | null | null | has coordinates | Reibenspies, J. H.
Structure of 1,4,7,10-tetraazacyclododecane trihydrate
Acta Crystallographica Section C
48(9)
(1992)
1717-1718 | 301,791 | 2025-08-18 | 23:14:59 | #------------------------------------------------------------------------------
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2,000,644 | 13.452 | 0.002 | 7.952 | 0.001 | 15.671 | 0.001 | 90 | null | 106.97 | 0.01 | 90 | null | 1,603.3 | 0.3 | 293 | null | 293 | null | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | 1-Benzenesulfonyl-3-acetoxy-1,3-dihydroindole-2-one | - C17 H15 N O5 S - | - C17 H15 N O5 S - | - C68 H60 N4 O20 S4 - | 4 | 1 | ST1011 | Grossie, D. A.; Ketcha, D. M. | 1-Benzenesulfonyl-3-methyl-2-oxo-2,3-dihydroindol-3-yl acetate | Acta Crystallographica Section C | 1,992 | 48 | 9 | 1718 | 1720 | 10.1107/S0108270192006334 | 0.71069 | MoKα | 0.052 | 0.041 | null | 0.052 | 0.04 | null | null | null | 1.179 | 1.015 | 1.015 | null | null | null | has coordinates | Grossie, D. A.; Ketcha, D. M.
1-Benzenesulfonyl-3-methyl-2-oxo-2,3-dihydroindol-3-yl acetate
Acta Crystallographica Section C
48(9)
(1992)
1718-1720 | 301,791 | 2025-08-18 | 23:14:59 | #------------------------------------------------------------------------------
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2,000,645 | 6.548 | 0.002 | 9.685 | 0.002 | 21.282 | 0.008 | 90 | null | 90 | null | 90 | null | 1,349.6 | 0.7 | 293 | null | 293 | null | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | 19 | 2α, 3α,-7α, 13α-diépoxyhimachalane | - C15 H24 O2 - | - C15 H24 O2 - | - C60 H96 O8 - | 4 | 1 | PA1001 | Chiaroni, A.; Riche, C.; Benharref, A.; Chekroun, A.; Lavergne, J.-P. | Structure du 2α,3α,7α,13α-diépoxyhimachalane | Acta Crystallographica Section C | 1,992 | 48 | 9 | 1720 | 1722 | 10.1107/S0108270192005316 | 1.5418 | CuKα | null | 0.054 | null | null | 0.071 | null | null | null | null | 0.96 | 0.96 | null | null | null | has coordinates | Chiaroni, A.; Riche, C.; Benharref, A.; Chekroun, A.; Lavergne, J.-P.
Structure du 2α,3α,7α,13α-diépoxyhimachalane
Acta Crystallographica Section C
48(9)
(1992)
1720-1722 | 301,791 | 2025-08-18 | 23:14:59 | #------------------------------------------------------------------------------
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2,000,646 | 14.932 | 0.003 | 14.85 | 0.002 | 7.173 | 0.002 | 90 | null | 90 | null | 90 | null | 1,590.5 | 0.6 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | 2'-S-Chloro-3',4'-dihydro-spiro[1,3-dioxolane-2,1'- (2'H)-naphthalene]-4,5-R,R-dicarboxylic Acid Dimethyl Ester | - C16 H17 Cl O6 - | - C16 H17 Cl O6 - | - C64 H68 Cl4 O24 - | 4 | 1 | KA1004 | Ianelli, S.; Nardelli, M.; Giordano, C.; Coppi, L.; Restelli, A. | Enantiomerically pure α-haloketals: structure and conformation of (2'<i>S</i>,4'<i>R</i>,5'<i>R</i>)-dimethyl 2'-halo-1',2',3',4'-tetrahydrospiro[1,3-dioxolane-2,1'-naphthalene]-4,5-dicarboxylates (halo = Cl, Br, I) | Acta Crystallographica Section C | 1,992 | 48 | 9 | 1722 | 1727 | 10.1107/S0108270192005699 | 0.7093 | Mo-Kα~1~ | null | 0.0318 | null | null | 0.0407 | null | null | null | null | 0.4548 | 0.4548 | null | null | null | has coordinates | Ianelli, S.; Nardelli, M.; Giordano, C.; Coppi, L.; Restelli, A.
Enantiomerically pure α-haloketals: structure and conformation of (2'<i>S</i>,4'<i>R</i>,5'<i>R</i>)-dimethyl 2'-halo-1',2',3',4'-tetrahydrospiro[1,3-dioxolane-2,1'-naphthalene]-4,5-dicarboxylates (halo = Cl, Br, I)
Acta Crystallographica Section C
48(9)
... | 301,791 | 2025-08-18 | 23:14:59 | #------------------------------------------------------------------------------
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7,205,811 | 22.572 | 0.0013 | 21.1052 | 0.0012 | 20.6054 | 0.0013 | 90 | null | 117.648 | 0.013 | 90 | null | 8,695.3 | 1.4 | 291 | 2 | 291 | 2 | null | null | null | null | 4 | C 1 2 1 | C 2y | 5 | - C120 H198 Dy14 O72 - | - C120 H198 Dy14 O72 - | - C240 H396 Dy28 O144 - | 2 | 0.5 | Li, Xi-Li; He, Lai-Fu; Feng, Xiang-Li; Song, You; Hu, Min; Han, Li-Feng; Zheng, Xian-Jun; Zhang, Zhi-Hong; Fang, Shao-Ming | Two chiral tetradecanuclear hydroxo-lanthanide clusters with luminescent and magnetic properties | CrystEngComm | 2,011 | 13 | 11 | 3643 | 10.1039/c0ce00826e | 0.71073 | MoKα | 0.0554 | 0.0324 | null | null | 0.0849 | 0.1022 | null | null | null | null | null | 1.004 | null | null | has coordinates,has disorder | Li, Xi-Li; He, Lai-Fu; Feng, Xiang-Li; Song, You; Hu, Min; Han, Li-Feng; Zheng, Xian-Jun; Zhang, Zhi-Hong; Fang, Shao-Ming
Two chiral tetradecanuclear hydroxo-lanthanide clusters with luminescent and magnetic properties
CrystEngComm
13(11)
(2011)
3643 | 176,432 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
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2,000,647 | 15.054 | 0.003 | 14.924 | 0.002 | 7.207 | 0.002 | 90 | null | 90 | null | 90 | null | 1,619.2 | 0.6 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | 2'-S-Bromo-3',4'-dihydro-spiro[1,3-dioxolane-2,1'- (2'H)-naphthalene]-4,5-R,R-dicarboxylic Acid Dimethyl Ester | - C16 H17 Br O6 - | - C16 H17 Br O6 - | - C64 H68 Br4 O24 - | 4 | 1 | KA1004 | Ianelli, S.; Nardelli, M.; Giordano, C.; Coppi, L.; Restelli, A. | Enantiomerically pure α-haloketals: structure and conformation of (2'<i>S</i>,4'<i>R</i>,5'<i>R</i>)-dimethyl 2'-halo-1',2',3',4'-tetrahydrospiro[1,3-dioxolane-2,1'-naphthalene]-4,5-dicarboxylates (halo = Cl, Br, I) | Acta Crystallographica Section C | 1,992 | 48 | 9 | 1722 | 1727 | 10.1107/S0108270192005699 | 1.54056 | Cu-Kα~1~ | null | 0.0431 | null | null | 0.0558 | null | null | null | null | 0.7118 | 0.7118 | null | null | null | has coordinates | Ianelli, S.; Nardelli, M.; Giordano, C.; Coppi, L.; Restelli, A.
Enantiomerically pure α-haloketals: structure and conformation of (2'<i>S</i>,4'<i>R</i>,5'<i>R</i>)-dimethyl 2'-halo-1',2',3',4'-tetrahydrospiro[1,3-dioxolane-2,1'-naphthalene]-4,5-dicarboxylates (halo = Cl, Br, I)
Acta Crystallographica Section C
48(9)
... | 301,791 | 2025-08-18 | 23:14:59 | #------------------------------------------------------------------------------
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2,000,648 | 29.018 | 0.003 | 8.53 | 0.001 | 11.762 | 0.001 | 90 | null | 90 | null | 90 | null | 2,911.4 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P b c a | null | 1-Indanone-2-spiro-4'-N-phenylpiperidine | - C19 H19 N O - | - C19 H19 N O - | - C152 H152 N8 O8 - | 8 | 1 | KA1005 | Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Forconi, H.; Caubère, P. | Structure and conformation of 1'-phenylindan-2-spiro-4'-piperidin-1-one | Acta Crystallographica Section C | 1,992 | 48 | 9 | 1727 | 1730 | 10.1107/S0108270192005328 | 1.54178 | X-rayCuK-αmean | null | 0.0395 | null | null | 0.0566 | null | null | null | null | 0.8064 | 0.8064 | null | null | null | has coordinates | Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Forconi, H.; Caubère, P.
Structure and conformation of 1'-phenylindan-2-spiro-4'-piperidin-1-one
Acta Crystallographica Section C
48(9)
(1992)
1727-1730 | 301,791 | 2025-08-18 | 23:14:59 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,000,649 | 13.737 | 0.002 | 6.9879 | 0.0005 | 15.124 | 0.005 | 90 | null | 94.37 | 0.01 | 90 | null | 1,447.6 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | cis,anti,cis-4b,5,6,6a,10b,10c-hexahydro-4b-hydroxybenzo[3,4]cyclobuta- [1,2a]biphenylene-4-carboxaldehyde | - C19 H16 O2 - | - C19 H16 O2 - | - C76 H64 O8 - | 4 | 1 | KA1010 | Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Zouaoui, M. A.; Caubère, P. | Structure and conformation of <i>cis</i>,<i>anti</i>,<i>cis</i>-4b,4c,8b,9,10,10a-hexahydro-4b-hydroxybenzo[3,4]cyclobuta[1,2-<i>a</i>]biphenylene-4-carbaldehyde | Acta Crystallographica Section C | 1,992 | 48 | 9 | 1730 | 1733 | 10.1107/S0108270192005420 | 1.54178 | CuKα~1~ | null | 0.0453 | null | null | 0.0468 | null | null | null | null | 0.7321 | 0.7321 | null | null | null | has coordinates | Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Zouaoui, M. A.; Caubère, P.
Structure and conformation of <i>cis</i>,<i>anti</i>,<i>cis</i>-4b,4c,8b,9,10,10a-hexahydro-4b-hydroxybenzo[3,4]cyclobuta[1,2-<i>a</i>]biphenylene-4-carbaldehyde
Acta Crystallographica Section C
48(9)
(1992)
1730-1733 | 301,791 | 2025-08-18 | 23:14:59 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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7,205,810 | 22.2021 | 0.001 | 19.4371 | 0.0009 | 15.8554 | 0.0006 | 90 | null | 130.596 | 0.0009 | 90 | null | 5,195.5 | 0.4 | 173.1 | null | 173 | 2 | null | null | null | null | 5 | C 1 c 1 | C -2yc | 9 | - C100 H72 K8 O23 S16 - | - C100 H72 K8 O23 S16 - | - C200 H144 K16 O46 S32 - | 2 | 0.5 | Yamada, Manabu; Hamada, Fumio | Thiacalix[4]arene‒potassium assemblies: a supramolecular architecture based on coordination polymers and a dimeric structure based on triangular pyramidal arrangements | CrystEngComm | 2,011 | 13 | 7 | 2494 | 10.1039/c0ce00824a | 0.71075 | MoKα | 0.0661 | 0.0552 | null | null | 0.1577 | 0.1851 | null | null | null | null | null | 1.379 | null | null | has coordinates,has disorder | Yamada, Manabu; Hamada, Fumio
Thiacalix[4]arene‒potassium assemblies: a supramolecular architecture based on coordination polymers and a dimeric structure based on triangular pyramidal arrangements
CrystEngComm
13(7)
(2011)
2494 | 180,389 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,000,650 | 13.474 | 0.002 | 12.54 | 0.001 | 7.632 | 0.001 | 101.78 | 0.01 | 95.02 | 0.01 | 87.14 | 0.01 | 1,256.9 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | cis-9a-Methoxy-1,2,3,4,4a,9a,-hexahydrofluoren-9-one oxime | - C14 H17 N O2 - | - C14 H17 N O2 - | - C56 H68 N4 O8 - | 4 | 2 | KA1012 | Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Caubère, P. | Structure and conformation of <i>cis</i>-9a-methoxy-1,2,3,4,4a,9a-hexahydrofluoren-9-one oxime | Acta Crystallographica Section C | 1,992 | 48 | 9 | 1734 | 1737 | 10.1107/S0108270192005912 | 1.54056 | CuKα~1~ | null | 0.0846 | null | null | 0.0976 | null | null | null | null | 2.6728 | 2.6728 | null | null | null | has coordinates | Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Caubère, P.
Structure and conformation of <i>cis</i>-9a-methoxy-1,2,3,4,4a,9a-hexahydrofluoren-9-one oxime
Acta Crystallographica Section C
48(9)
(1992)
1734-1737 | 301,791 | 2025-08-18 | 23:14:59 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,000,651 | 9.279 | 0.001 | 14.035 | 0.001 | 9.123 | 0.001 | 90 | null | 117.37 | 0.01 | 90 | null | 1,055.1 | 0.2 | 295 | null | 295 | null | null | null | null | null | 5 | P 1 21 1 | P 2yb | 4 | meropenem | (1R,5S,6S)-2-[(3S,5S)-5-Dimethylaminocarbonylpyrrolidin-3-ylthio]- 6-[(R)-1-hydroxyethyl]-1-methylcarbapen-2-em-3-carboxylate trihydrate | - C17 H31 N3 O8 S - | - C17 H31 N3 O8 S - | - C34 H62 N6 O16 S2 - | 2 | 1 | AS1005 | Yanagi, K.; Takeuchi, Y.; Sunagawa, M. | Structure of a novel carbapenem antibiotic, meropenem | Acta Crystallographica Section C | 1,992 | 48 | 9 | 1737 | 1739 | 10.1107/S0108270192004608 | 1.5418 | CuKα | 0.036 | 0.034 | null | null | 0.046 | null | null | null | null | 1.82 | 1.82 | null | null | null | has coordinates | Yanagi, K.; Takeuchi, Y.; Sunagawa, M.
Structure of a novel carbapenem antibiotic, meropenem
Acta Crystallographica Section C
48(9)
(1992)
1737-1739 | 301,791 | 2025-08-18 | 23:14:59 | #------------------------------------------------------------------------------
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2,000,652 | 8.3806 | 0.0004 | 8.3806 | 0.0004 | 8.3806 | 0.0004 | 65.527 | 0.003 | 65.527 | 0.003 | 65.527 | 0.003 | 535.72 | 0.05 | null | null | null | null | null | null | null | null | 4 | R 3 c :R | P 3* -2n | 161 | - Al2 H6 O12 Se3 - | - Al2 O12 Se3 - | - Al4 O24 Se6 - | 2 | 0.333333 | CR0386 | Harrison, W. T. A.; Stucky, G. D.; Morris, R. E.; Cheetham, A. K. | Synthesis and structure of aluminium selenite trihydrate, Al~2~(SeO~3~)~3~.3H~2~O | Acta Crystallographica Section C | 1,992 | 48 | 8 | 1365 | 1367 | 10.1107/S0108270192000015 | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Harrison, W. T. A.; Stucky, G. D.; Morris, R. E.; Cheetham, A. K.
Synthesis and structure of aluminium selenite trihydrate, Al~2~(SeO~3~)~3~.3H~2~O
Acta Crystallographica Section C
48(8)
(1992)
1365-1367 | 277,834 | 2022-09-14 | 16:39:43 | #------------------------------------------------------------------------------
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7,205,809 | 12.7148 | 0.0006 | 13.1573 | 0.0005 | 23.569 | 0.0012 | 90 | null | 98.144 | 0.0017 | 90 | null | 3,903.2 | 0.3 | 120.1 | null | 120.1 | null | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | - C72 H84 K8 O14 S8 - | - C72 H84 K8 O14 S8 - | - C144 H168 K16 O28 S16 - | 2 | 0.5 | Yamada, Manabu; Hamada, Fumio | Thiacalix[4]arene‒potassium assemblies: a supramolecular architecture based on coordination polymers and a dimeric structure based on triangular pyramidal arrangements | CrystEngComm | 2,011 | 13 | 7 | 2494 | 10.1039/c0ce00824a | 0.71075 | MoKα | null | 0.0559 | null | null | null | 0.1884 | null | null | null | null | null | 1.047 | null | null | has coordinates | Yamada, Manabu; Hamada, Fumio
Thiacalix[4]arene‒potassium assemblies: a supramolecular architecture based on coordination polymers and a dimeric structure based on triangular pyramidal arrangements
CrystEngComm
13(7)
(2011)
2494 | 176,453 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
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2,000,653 | 9.501 | 0.001 | 7.14 | 0.001 | 13.47 | 0.002 | 90 | null | 94.27 | 0.01 | 90 | null | 911.2 | 0.2 | null | null | null | null | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | - C2 H6 N2 O3 S2 Sr - | - C2 H6 N2 O3 S2 Sr - | - C8 H24 N8 O12 S8 Sr4 - | 4 | 1 | SE0079 | Mereiter, K.; Preisinger, A. | Structure of strontium thiocyanate trihydrate, Sr(SCN)~2~.3H~2~O, at 295 and 125 K | Acta Crystallographica Section C | 1,992 | 48 | 8 | 1367 | 1370 | 10.1107/S0108270191015081 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Mereiter, K.; Preisinger, A.
Structure of strontium thiocyanate trihydrate, Sr(SCN)~2~.3H~2~O, at 295 and 125 K
Acta Crystallographica Section C
48(8)
(1992)
1367-1370 | 301,791 | 2025-08-18 | 23:14:59 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,000,654 | 9.452 | 0.002 | 7.103 | 0.002 | 13.373 | 0.003 | 90 | null | 94.51 | 0.02 | 90 | null | 895.1 | 0.4 | null | null | null | null | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | - C2 H6 N2 O6 S2 Sr - | - C2 H6 N2 O3 S2 Sr - | - C8 H24 N8 O12 S8 Sr4 - | 4 | 1 | SE0079 | Mereiter, K.; Preisinger, A. | Structure of strontium thiocyanate trihydrate, Sr(SCN)~2~.3H~2~O, at 295 and 125 K | Acta Crystallographica Section C | 1,992 | 48 | 8 | 1367 | 1370 | 10.1107/S0108270191015081 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Mereiter, K.; Preisinger, A.
Structure of strontium thiocyanate trihydrate, Sr(SCN)~2~.3H~2~O, at 295 and 125 K
Acta Crystallographica Section C
48(8)
(1992)
1367-1370 | 278,324 | 2022-10-03 | 14:41:52 | #------------------------------------------------------------------------------
#$Date: 2022-10-03 17:40:12 +0300 (Mon, 03 Oct 2022) $
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2,000,655 | 7.596 | 0.002 | 7.596 | 0.002 | 8.027 | 0.003 | 90 | null | 90 | null | 90 | null | 463.2 | 0.2 | null | null | null | null | null | null | null | null | 5 | P 42/m n m | -P 4n 2n | null | - Cl4 Cu H4 O2 Rb2 - | - Cl4 Cu H4 O2 Rb2 - | - Cl8 Cu2 H8 O4 Rb4 - | 2 | 0.125 | AS0559 | Waizumi, K.; Masuda, H.; Ohtaki, H.; Burkov, K. A.; Chernykh, L. | Structure of 2RbCl.CuCl~2~.2H~2~O | Acta Crystallographica Section C | 1,992 | 48 | 8 | 1374 | 1376 | 10.1107/S0108270192000180 | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Waizumi, K.; Masuda, H.; Ohtaki, H.; Burkov, K. A.; Chernykh, L.
Structure of 2RbCl.CuCl~2~.2H~2~O
Acta Crystallographica Section C
48(8)
(1992)
1374-1376 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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2,000,656 | 3.8268 | 0.0002 | 14.3142 | 0.0006 | 6.1724 | 0.0004 | 90 | null | 90 | null | 90 | null | 338.11 | 0.03 | null | null | null | null | null | null | null | null | 3 | C m c m | -C 2c 2 | null | - Bi2 O5 Sr2 - | - Bi2 O6 Sr2 - | - Bi4 O12 Sr4 - | 2 | 0.125 | MU0273 | Vente, J. F.; Helmholdt, R. B.; IJdo, D. J. W. | Structure of Sr~2~Bi~2~O~5~ from X-ray and neutron powder diffraction data | Acta Crystallographica Section C | 1,992 | 48 | 8 | 1380 | 1382 | 10.1107/S0108270192000581 | neutron | 2.57171 | neutron | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Vente, J. F.; Helmholdt, R. B.; IJdo, D. J. W.
Structure of Sr~2~Bi~2~O~5~ from X-ray and neutron powder diffraction data
Acta Crystallographica Section C
48(8)
(1992)
1380-1382 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,000,657 | 10 | 0.002 | 14.202 | 0.002 | 7.421 | 0.001 | 90 | null | 90 | null | 90 | null | 1,053.9 | 0.3 | null | null | null | null | null | null | null | null | 4 | C 2 2 21 | C 2c 2 | null | - B3 Cl O9 Sr5 - | - B3 Cl O9 Sr5 - | - B12 Cl4 O36 Sr20 - | 4 | 0.5 | HH0561 | Alekel, T.; Keszler, D. A. | Structure of Sr~5~(BO~3~)~3~Cl | Acta Crystallographica Section C | 1,992 | 48 | 8 | 1382 | 1386 | 10.1107/S0108270192000507 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Alekel, T.; Keszler, D. A.
Structure of Sr~5~(BO~3~)~3~Cl
Acta Crystallographica Section C
48(8)
(1992)
1382-1386 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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7,205,808 | 18.4041 | 0.0017 | 8.4011 | 0.0007 | 22.587 | 0.002 | 90 | null | 90 | null | 90 | null | 3,492.3 | 0.5 | 123 | 2 | 123 | 2 | null | null | null | null | 5 | P b c a | -P 2ac 2ab | 61 | - C16 H19 Cl N2 O6 - | - C16 H19 Cl N2 O6 - | - C128 H152 Cl8 N16 O48 - | 8 | 1 | Singh, Udai P.; Kashyap, Sujata; Singh, Hari Ji; Butcher, Ray J. | Anion directed supramolecular architecture of pyrazole based ionic salts | CrystEngComm | 2,011 | 13 | 12 | 4110 | 10.1039/c0ce00820f | 0.71073 | MoKα | 0.1002 | 0.0727 | null | null | 0.2103 | 0.2369 | null | null | null | null | null | 1.056 | null | null | has coordinates,has disorder | Singh, Udai P.; Kashyap, Sujata; Singh, Hari Ji; Butcher, Ray J.
Anion directed supramolecular architecture of pyrazole based ionic salts
CrystEngComm
13(12)
(2011)
4110 | 301,863 | 2025-08-22 | 13:07:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-22 15:50:14 +0300 (Fri, 22 Aug 2025) $
#$Revision: 301863 $
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2,000,658 | 28.865 | 0.01 | 13.787 | 0.007 | 14.733 | 0.004 | 90 | null | 104.67 | 0.02 | 90 | null | 5,671.86 | null | null | null | null | null | null | null | null | null | 5 | C 1 2/c 1 | null | - C15 H8 Fe4 O12 Te4 - | - C15 Fe4 O12 Te4 - | - C120 Fe32 O96 Te32 - | 8 | 1 | AL0505 | Das, K.; Sinha, U. C.; Mathur, P. | Structure of a Te-methylene-Te bridged double-butterfly complex | Acta Crystallographica Section C | 1,992 | 48 | 8 | 1386 | 1389 | 10.1107/S0108270191014488 | 0.7107 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Das, K.; Sinha, U. C.; Mathur, P.
Structure of a Te-methylene-Te bridged double-butterfly complex
Acta Crystallographica Section C
48(8)
(1992)
1386-1389 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
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2,000,659 | 28.865 | 0.01 | 13.787 | 0.007 | 14.733 | 0.004 | 90 | null | 104.67 | 0.02 | 90 | null | 5,671.86 | null | null | null | null | null | null | null | null | null | 5 | C 1 2/c 1 | null | - C15 H8 Fe4 O12 Te4 - | - C15 Fe4 O12 Te4 - | - C120 Fe32 O96 Te32 - | 8 | 1 | AL0505 | Das, K.; Sinha, U. C.; Mathur, P. | Structure of a Te-methylene-Te bridged double-butterfly complex | Acta Crystallographica Section C | 1,992 | 48 | 8 | 1386 | 1389 | 10.1107/S0108270191014488 | 0.7107 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Das, K.; Sinha, U. C.; Mathur, P.
Structure of a Te-methylene-Te bridged double-butterfly complex
Acta Crystallographica Section C
48(8)
(1992)
1386-1389 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
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2,000,660 | 9.217 | 0.001 | 9.998 | 0.001 | 7.365 | 0.001 | 90 | null | 117.07 | 0.01 | 90 | null | 604.35 | 0.13 | null | null | null | null | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | null | - C4 H4 Na O4 - | - C4 H6 Na O4 - | - C16 H24 Na4 O16 - | 4 | 0.5 | AB0263 | Kalsbeek, N. | Structures of partially deuterated sodium hydrogen succinate at 295 and 120 K and rubidium hydrogen succinate at 120 K | Acta Crystallographica Section C | 1,992 | 48 | 8 | 1389 | 1394 | 10.1107/S0108270191014865 | 1.54184 | Cu | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Kalsbeek, N.
Structures of partially deuterated sodium hydrogen succinate at 295 and 120 K and rubidium hydrogen succinate at 120 K
Acta Crystallographica Section C
48(8)
(1992)
1389-1394 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,000,661 | 8.844 | 0.002 | 10.284 | 0.003 | 7.349 | 0.002 | 90 | null | 117.33 | 0.02 | 90 | null | 593.8 | 0.3 | null | null | null | null | null | null | null | null | 4 | C 1 2/c 1 | null | - C4 H4 Na O4 - | - C4 H6 Na O4 - | - C16 H24 Na4 O16 - | 4 | 0.5 | AB0263 | Kalsbeek, N. | Structures of partially deuterated sodium hydrogen succinate at 295 and 120 K and rubidium hydrogen succinate at 120 K | Acta Crystallographica Section C | 1,992 | 48 | 8 | 1389 | 1394 | 10.1107/S0108270191014865 | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Kalsbeek, N.
Structures of partially deuterated sodium hydrogen succinate at 295 and 120 K and rubidium hydrogen succinate at 120 K
Acta Crystallographica Section C
48(8)
(1992)
1389-1394 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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7,205,807 | 14.7258 | 0.0007 | 20.1708 | 0.0008 | 20.1033 | 0.0007 | 90 | null | 104.689 | 0.001 | 90 | null | 5,776.1 | 0.4 | 123 | 2 | 123 | 2 | null | null | null | null | 5 | P 1 21 1 | P 2yb | 4 | - C120 H114 N16 O27 S6 - | - C120 H114 N16 O27 S6 - | - C240 H228 N32 O54 S12 - | 2 | 1 | Singh, Udai P.; Kashyap, Sujata; Singh, Hari Ji; Butcher, Ray J. | Anion directed supramolecular architecture of pyrazole based ionic salts | CrystEngComm | 2,011 | 13 | 12 | 4110 | 10.1039/c0ce00820f | 0.71073 | MoKα | 0.1144 | 0.0588 | null | null | 0.1041 | 0.1235 | null | null | null | null | null | 1.022 | null | null | has coordinates | Singh, Udai P.; Kashyap, Sujata; Singh, Hari Ji; Butcher, Ray J.
Anion directed supramolecular architecture of pyrazole based ionic salts
CrystEngComm
13(12)
(2011)
4110 | 301,863 | 2025-08-22 | 13:07:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-22 15:50:14 +0300 (Fri, 22 Aug 2025) $
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2,000,662 | 16.927 | 0.003 | 6.105 | 0.0006 | 6.3343 | 0.0009 | 90 | null | 109.17 | 0.01 | 90 | null | 618.28 | 0.16 | null | null | null | null | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | null | - C4 H5 O4 Rb - | - C4 H6 O4 Rb - | - C16 H24 O16 Rb4 - | 4 | 0.5 | AB0263 | Kalsbeek, N. | Structures of partially deuterated sodium hydrogen succinate at 295 and 120 K and rubidium hydrogen succinate at 120 K | Acta Crystallographica Section C | 1,992 | 48 | 8 | 1389 | 1394 | 10.1107/S0108270191014865 | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Kalsbeek, N.
Structures of partially deuterated sodium hydrogen succinate at 295 and 120 K and rubidium hydrogen succinate at 120 K
Acta Crystallographica Section C
48(8)
(1992)
1389-1394 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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2,000,663 | 12.855 | 0.002 | 13.501 | 0.002 | 5.8864 | 0.0006 | 102.6 | 0.01 | 103.24 | 0.01 | 110.235 | 0.009 | 882.2 | 0.2 | null | null | null | null | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C6 H8 Cd Cl O3 P - | - C6 Cd Cl O3 P - | - C24 Cd4 Cl4 O12 P4 - | 4 | 2 | HH0583 | Du, J.-L.; Rettig, S. J.; Thompson, R. C.; Trotter, J. | Structure of a polymeric cadmium complex containing triply bridging monophenylphosphinate ligands | Acta Crystallographica Section C | 1,992 | 48 | 8 | 1394 | 1397 | 10.1107/S0108270191014841 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Du, J.-L.; Rettig, S. J.; Thompson, R. C.; Trotter, J.
Structure of a polymeric cadmium complex containing triply bridging monophenylphosphinate ligands
Acta Crystallographica Section C
48(8)
(1992)
1394-1397 | 278,247 | 2022-09-28 | 15:09:31 | #------------------------------------------------------------------------------
#$Date: 2022-09-28 18:08:17 +0300 (Wed, 28 Sep 2022) $
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2,000,664 | 9.772 | 0.003 | 15.366 | 0.004 | 20.973 | 0.005 | 90 | null | 102.53 | 0.02 | 90 | null | 3,074.2 | 1.5 | null | null | null | null | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | - C26.84 H48 Au2 Br1.16 N0.84 P2 - | - C28 H48 Au2 Br2 N2 P2 - | - C112 H192 Au8 Br8 N8 P8 - | 4 | 1 | HH0581 | Schaefer, W. P.; McCleskey, T. M.; Gray, H. B. | A μ-bis(phosphino)ethane gold(I) dimer | Acta Crystallographica Section C | 1,992 | 48 | 8 | 1397 | 1399 | 10.1107/S010827019101507X | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Schaefer, W. P.; McCleskey, T. M.; Gray, H. B.
A μ-bis(phosphino)ethane gold(I) dimer
Acta Crystallographica Section C
48(8)
(1992)
1397-1399 | 278,324 | 2022-10-03 | 14:41:52 | #------------------------------------------------------------------------------
#$Date: 2022-10-03 17:40:12 +0300 (Mon, 03 Oct 2022) $
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2,000,665 | 9.306 | 0.003 | 16.247 | 0.003 | 8.972 | 0.002 | 104.72 | 0.02 | 96.38 | 0.02 | 80.44 | 0.02 | 1,290.4 | 0.6 | null | null | null | null | null | null | null | null | 7 | P -1 | -P 1 | 2 | - C18 H24 Cl4 Co Fe N6 O4 - | - C18 H24 Cl4 Co Fe N6 O4 - | - C36 H48 Cl8 Co2 Fe2 N12 O8 - | 2 | 1 | AS0557 | Xu, D.; Lei, L.; Xu, Y.; Cheng, C.; Chen, J. | Structure of <i>trans</i>-bis[dimethylglyoximato(1-)-<i>N</i>,<i>N</i>']bis(pyridine-<i>N</i>)cobalt(III) tetrachloroferrate(III) | Acta Crystallographica Section C | 1,992 | 48 | 8 | 1399 | 1402 | 10.1107/S0108270192000088 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Xu, D.; Lei, L.; Xu, Y.; Cheng, C.; Chen, J.
Structure of <i>trans</i>-bis[dimethylglyoximato(1-)-<i>N</i>,<i>N</i>']bis(pyridine-<i>N</i>)cobalt(III) tetrachloroferrate(III)
Acta Crystallographica Section C
48(8)
(1992)
1399-1402 | 206,341 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2018-02-09 15:27:00 +0200 (Fri, 09 Feb 2018) $
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7,205,806 | 8.1846 | 0.0002 | 17.0013 | 0.0004 | 9.4108 | 0.0002 | 90 | null | 99.507 | 0.001 | 90 | null | 1,291.52 | 0.05 | 123 | 2 | 123 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | - C15 H13 Cl N2 - | - C15 H13 Cl N2 - | - C60 H52 Cl4 N8 - | 4 | 1 | Singh, Udai P.; Kashyap, Sujata; Singh, Hari Ji; Butcher, Ray J. | Anion directed supramolecular architecture of pyrazole based ionic salts | CrystEngComm | 2,011 | 13 | 12 | 4110 | 10.1039/c0ce00820f | 0.71073 | MoKα | 0.048 | 0.0363 | null | null | 0.0907 | 0.0986 | null | null | null | null | null | 1.032 | null | null | has coordinates | Singh, Udai P.; Kashyap, Sujata; Singh, Hari Ji; Butcher, Ray J.
Anion directed supramolecular architecture of pyrazole based ionic salts
CrystEngComm
13(12)
(2011)
4110 | 301,863 | 2025-08-22 | 13:07:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-22 15:50:14 +0300 (Fri, 22 Aug 2025) $
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2,000,666 | 13.489 | 0.0005 | 9.6913 | 0.0007 | 16.6847 | 0.0005 | 90 | null | 112.365 | 0.003 | 90 | null | 2,017.06 | 0.18 | null | null | null | null | null | null | null | null | 6 | C 1 2/c 1 | -C 2yc | null | - C12 H24 Cl2 N6 O6 Ru - | - C12 H24 Cl2 N6 O6 Ru - | - C48 H96 Cl8 N24 O24 Ru4 - | 4 | 0.5 | HE0033 | Taqui Khan, M. M.; Venkatasubramanian, K.; Abdi, S. H. R.; Bhadbhade, M. M.; Tyagi, B. | Structure of tris(dimethylglyoxime)ruthenium(II) dichloride | Acta Crystallographica Section C | 1,992 | 48 | 8 | 1402 | 1405 | 10.1107/S010827019101510X | 1.5418 | Cu | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Taqui Khan, M. M.; Venkatasubramanian, K.; Abdi, S. H. R.; Bhadbhade, M. M.; Tyagi, B.
Structure of tris(dimethylglyoxime)ruthenium(II) dichloride
Acta Crystallographica Section C
48(8)
(1992)
1402-1405 | 301,791 | 2025-08-18 | 23:14:59 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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