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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
2,006,588 | 7.446 | 0.001 | 12.1722 | 0.0006 | 6.9261 | 0.0007 | 90 | null | 108.93 | 0.01 | 90 | null | 593.79 | 0.11 | 296 | null | 296 | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | 2-aminonicotinic acid | - C6 H6 N2 O2 - | - C6 H6 N2 O2 - | - C24 H24 N8 O8 - | 4 | 1 | FR1064 | Dobson, Allison J.; Gerkin, Roger E. | 2-Aminonicotinic Acid | Acta Crystallographica Section C | 1,997 | 53 | 10 | 1427 | 1429 | 10.1107/S0108270197008226 | 0.71073 | MoKα | null | 0.062 | null | null | null | 0.057 | null | null | null | null | null | 1.74 | null | null | has coordinates | Dobson, Allison J.; Gerkin, Roger E.
2-Aminonicotinic Acid
Acta Crystallographica Section C
53(10)
(1997)
1427-1429 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,006,589 | 7.667 | 0.001 | 6.862 | 0.001 | 14.608 | 0.002 | 90 | null | 90 | null | 90 | null | 768.54 | 0.18 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P n m a | -P 2ac 2n | 62 | Coppermolybdate | - Cu3 Mo2 O9 - | - Cu3 Mo2 O9 - | - Cu12 Mo8 O36 - | 4 | 0.5 | JZ1185 | Udo Steiner; Werner Reichelt | A Reinvestigation of Cu~3~Mo~2~O~9~, a Compound Containing Copper(II) in Compressed Octahedral Coordination | Acta Crystallographica Section C | 1,997 | 53 | 10 | 1371 | 1373 | 10.1107/S0108270197005751 | 0.71073 | MoKα | 0.0316 | 0.0307 | null | 0.0729 | 0.0724 | null | null | null | 1.338 | 1.344 | 1.344 | null | null | null | has coordinates | Udo Steiner; Werner Reichelt
A Reinvestigation of Cu~3~Mo~2~O~9~, a Compound Containing Copper(II) in Compressed Octahedral Coordination
Acta Crystallographica Section C
53(10)
(1997)
1371-1373 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/65/2006589.cif $
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2,006,590 | 12.079 | 0.003 | 12.15 | 0.003 | 17.641 | 0.004 | 87.02 | 0.03 | 78 | 0.03 | 60.87 | 0.03 | 2,208.4 | 1.2 | 300 | 1 | 300 | 1 | null | null | null | null | 6 | P -1 | -P 1 | 2 | [tetrakis(μ~3~tetrahydrofurfuroxo-O,O')-tetra(ethanol)-tetrachloro- tetra(magnesium(II),manganese(II))] ethanol solvent | - C29 H63 Cl4 Mg2 Mn2 O12.5 - | - C29 H62.5 Cl4 Mg2 Mn2 O12.5 - | - C58 H125 Cl8 Mg4 Mn4 O25 - | 2 | 1 | JZ1203 | Jerzykiewicz, Lucjan B.; Utko, Józef; Sobota, Piotr | [(Mg~0.5~,Mn~0.5~)~4~{μ~3~,η^2^-OCH~2~CH(CH~2~)~3~O}~4~(EtOH)~4~Cl~4~].0.5EtOH | Acta Crystallographica Section C | 1,997 | 53 | 10 | 1393 | 1396 | 10.1107/S0108270197007920 | 0.71073 | MoKα | 0.057 | 0.0442 | null | 0.12 | 0.1112 | null | null | null | null | 1.072 | 1.072 | null | null | null | has coordinates,has disorder | Jerzykiewicz, Lucjan B.; Utko, Józef; Sobota, Piotr
[(Mg~0.5~,Mn~0.5~)~4~{μ~3~,η^2^-OCH~2~CH(CH~2~)~3~O}~4~(EtOH)~4~Cl~4~].0.5EtOH
Acta Crystallographica Section C
53(10)
(1997)
1393-1396 | 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/2/00/65/2006590.cif $
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2,230,168 | 15.62 | 0.003 | 8.531 | 0.0017 | 12.739 | 0.003 | 90 | null | 97.07 | 0.03 | 90 | null | 1,684.6 | 0.6 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | Diaqua[5,5'-dicarboxy-2,2'-(propane-1,3-diyl)bis(1<i>H</i>-imidazole-4- carboxylato)]manganese(II) | - C13 H14 Mn N4 O10 - | - C13 H14 Mn N4 O10 - | - C52 H56 Mn4 N16 O40 - | 4 | 0.5 | WM2475 | Yang, Huai-Xia; Zhou, Xiaoli; Jin, Guanghua; Meng, Xiang-Ru | Diaqua[5,5'-dicarboxy-2,2'-(propane-1,3-diyl)bis(1<i>H</i>-imidazole-4-carboxylato)]manganese(II) | Acta Crystallographica Section E | 2,011 | 67 | 5 | m560 | 10.1107/S1600536811012566 | 0.71073 | MoKα | 0.0447 | 0.0371 | null | null | 0.0851 | 0.0895 | null | null | null | null | null | 1.089 | null | null | has coordinates,has Fobs | Yang, Huai-Xia; Zhou, Xiaoli; Jin, Guanghua; Meng, Xiang-Ru
Diaqua[5,5'-dicarboxy-2,2'-(propane-1,3-diyl)bis(1<i>H</i>-imidazole-4-carboxylato)]manganese(II)
Acta Crystallographica Section E
67(5)
(2011)
m560 | 301,806 | 2025-08-19 | 15:27:02 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301806 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/01/2230168.cif $
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2,006,591 | 10.766 | 0.002 | 10.825 | 0.002 | 11.857 | 0.003 | 71.88 | 0.02 | 63.47 | 0.02 | 73.18 | 0.02 | 1,156.5 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | 3-methyl-11,14,17,20-tetraoxa- 2,4,3-diazaphospha-tricyclo[20,3,1,1^5,9^]-heptacosa- 1(26),5,7,9(27),22,24-hexaene-3-sulfide | - C21 H31 N2 O5 P S - | - C21 H31 N2 O5 P S - | - C42 H62 N4 O10 P2 S2 - | 2 | 1 | JZ1208 | Declercq, Jean-Paul; Delangle, Pascale; Dutasta, Jean-Pierre; Van Oostenryck, Luc; Tinant, Bernard | 1:1 Molecular Complex Between Water and a Macrocyclic Crown Phosphonamide | Acta Crystallographica Section C | 1,997 | 53 | 10 | 1484 | 1486 | 10.1107/S0108270197006604 | 0.71069 | MoKα | 0.0687 | 0.0502 | null | 0.14 | null | 0.1322 | null | null | 1.022 | null | null | 1.13 | null | null | has coordinates | Declercq, Jean-Paul; Delangle, Pascale; Dutasta, Jean-Pierre; Van Oostenryck, Luc; Tinant, Bernard
1:1 Molecular Complex Between Water and a Macrocyclic Crown Phosphonamide
Acta Crystallographica Section C
53(10)
(1997)
1484-1486 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$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/2/00/65/2006591.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,592 | 14.954 | 0.002 | 12.157 | 0.001 | 9.701 | 0.001 | 90 | null | 100.76 | 0.01 | 90 | null | 1,732.6 | 0.3 | 293 | null | 293 | null | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | Bis(piperidinium) Tetrachloromercurate | - C10 H24 Cl4 Hg N2 - | - C10 H24 Cl4 Hg N2 - | - C40 H96 Cl16 Hg4 N8 - | 4 | 1 | JZ1222 | Spengler, Roland; Zouari, Fatma; Ben Salah, Abdelhamid; Burzlaff, Hans | Bis(piperidinium) Tetrachloromercurate | Acta Crystallographica Section C | 1,997 | 53 | 10 | 1407 | 1409 | 10.1107/S0108270197008512 | 0.70926 | MoKα~1~ | 0.048 | 0.039 | null | 0.042 | null | 0.04 | null | null | 1.31 | null | null | 1.38 | null | null | has coordinates,has Fobs | Spengler, Roland; Zouari, Fatma; Ben Salah, Abdelhamid; Burzlaff, Hans
Bis(piperidinium) Tetrachloromercurate
Acta Crystallographica Section C
53(10)
(1997)
1407-1409 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/65/2006592.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,593 | 5.932 | 0.001 | 15.12 | 0.005 | 23.564 | 0.006 | 90 | null | 90 | null | 90 | null | 2,113.5 | 1 | 173 | 2 | 173 | 2 | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | 19 | (1R,2R)-(-)-N,N'-bis(quinoline-2-methylene)-1,2-cyclohexyldiimine | - C26 H24 N4 - | - C26 H24 N4 - | - C104 H96 N16 - | 4 | 1 | KA1231 | Adnan S. Abu-Surrah; Timo V. Laine; Timo Repo; Riad Fawzi; Manfred Steimann; Bernhard Rieger | An Enantiomerically Pure Schiff Base Ligand | Acta Crystallographica Section C | 1,997 | 53 | 10 | 1458 | 1459 | 10.1107/S0108270197006148 | 0.71073 | MoKα | 0.045 | 0.0318 | null | 0.0715 | 0.0677 | null | null | null | 1.373 | 1.486 | 1.486 | null | null | null | has coordinates | Adnan S. Abu-Surrah; Timo V. Laine; Timo Repo; Riad Fawzi; Manfred Steimann; Bernhard Rieger
An Enantiomerically Pure Schiff Base Ligand
Acta Crystallographica Section C
53(10)
(1997)
1458-1459 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$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/2/00/65/2006593.cif $
#-------------------------------------------------------------------... | ||||||||||
2,230,167 | 18.906 | 0.003 | 7.9483 | 0.0011 | 9.9809 | 0.0013 | 90 | null | 90 | null | 90 | null | 1,499.8 | 0.4 | 296 | 2 | 296 | 2 | null | null | null | null | 5 | C m c 21 | C 2c -2 | 36 | Diammonium tricadmium tris(sulfate) dihydroxide dihydrate | - Cd3 H14 N2 O16 S3 - | - Cd3 H14 N2 O16 S3 - | - Cd12 H56 N8 O64 S12 - | 4 | 0.5 | WM2470 | Yin, Xin | Diammonium tricadmium tris(sulfate) dihydroxide dihydrate | Acta Crystallographica Section E | 2,011 | 67 | 5 | i31 | 10.1107/S1600536811012979 | 0.71073 | MoKα | 0.0278 | 0.0274 | null | null | 0.0654 | 0.0656 | null | null | null | null | null | 1.084 | null | null | has coordinates,has Fobs | Yin, Xin
Diammonium tricadmium tris(sulfate) dihydroxide dihydrate
Acta Crystallographica Section E
67(5)
(2011)
i31 | 176,798 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-21 02:03:34 +0200 (Sun, 21 Feb 2016) $
#$Revision: 176798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/01/2230167.cif $
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2,006,594 | 10.834 | 0.001 | 9.75 | 0.001 | 12.381 | 0.001 | 90 | null | 99 | 0.01 | 90 | null | 1,291.7 | 0.2 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | bis(salicylato)bis(nicotinamide)copper(II) | - C26 H22 Cu N4 O8 - | - C26 H22 Cu N4 O8 - | - C52 H44 Cu2 N8 O16 - | 2 | 0.5 | KA1233 | Leban, Ivan; Kozlevčar, Bojan; Sieler, Joachim; Šegedin, Primož | Bis(nicotinamide-<i>N</i>)bis(salicylato-<i>O</i>,<i>O</i>')copper(II), the Monoclinic Form | Acta Crystallographica Section C | 1,997 | 53 | 10 | 1420 | 1422 | 10.1107/S010827019700615X | 0.71073 | MoKα | 0.046 | 0.0365 | null | 0.0811 | 0.0757 | null | null | null | 1.088 | 1.106 | 1.106 | null | null | null | has coordinates | Leban, Ivan; Kozlevčar, Bojan; Sieler, Joachim; Šegedin, Primož
Bis(nicotinamide-<i>N</i>)bis(salicylato-<i>O</i>,<i>O</i>')copper(II), the Monoclinic Form
Acta Crystallographica Section C
53(10)
(1997)
1420-1422 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$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/2/00/65/2006594.cif $
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2,006,595 | 7.8931 | 0.0002 | 11.9354 | 0.0003 | 18.0705 | 0.0004 | 90 | null | 90 | null | 90 | null | 1,702.37 | 0.07 | 133 | null | 133 | null | null | null | null | null | 4 | P b c a | -P 2ac 2ab | 61 | 2-[3-Nitro-phenyl]-[1,3]dioxolane | - C9 H9 N O4 - | - C9 H9 N O4 - | - C72 H72 N8 O32 - | 8 | 1 | KA1235 | Bolte, Michael; Marx, Raimund; Scholtyssik, Maria | 2-(3-Nitrophenyl)-1,3-dioxolane at 150K | Acta Crystallographica Section C | 1,997 | 53 | 10 | 1464 | 1466 | 10.1107/S0108270197007166 | 0.71073 | MoKα | 0.0316 | 0.0286 | null | 0.08 | 0.0785 | null | null | null | 1.056 | 1.095 | 1.095 | null | null | null | has coordinates | Bolte, Michael; Marx, Raimund; Scholtyssik, Maria
2-(3-Nitrophenyl)-1,3-dioxolane at 150K
Acta Crystallographica Section C
53(10)
(1997)
1464-1466 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$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/2/00/65/2006595.cif $
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2,006,596 | 11.991 | 0.002 | 13.951 | 0.004 | 14.923 | 0.004 | 96.02 | 0.02 | 94.49 | 0.02 | 98.42 | 0.02 | 2,444.7 | 1.1 | 293 | 2 | 293 | 2 | null | null | null | null | 7 | P -1 | -P 1 | 2 | - C57 H49 Cl N6 O7 P2 Ru - | - C57 H43 Cl N6 O7 P2 Ru - | - C114 H86 Cl2 N12 O14 P4 Ru2 - | 2 | 1 | KH1147 | Lim, Jong Wan; Yeo, Hwan Jin; Jeong, Jong Hwa | <i>trans</i>-[Bis-2,6-(2-benzimidazolyl-κ<i>N</i>^2^)pyridine-κ<i>N</i>]nitrobis(triphenylphosphine-<i>P</i>)ruthenium(II) Perchlorate Ethanol Solvate | Acta Crystallographica Section C | 1,997 | 53 | 10 | 1405 | 1407 | 10.1107/S0108270197006082 | 0.71073 | MoKα | 0.0705 | 0.0661 | null | 0.1639 | 0.159 | null | null | null | 1.069 | 1.073 | 1.073 | null | null | null | has coordinates,has disorder | Lim, Jong Wan; Yeo, Hwan Jin; Jeong, Jong Hwa
<i>trans</i>-[Bis-2,6-(2-benzimidazolyl-κ<i>N</i>^2^)pyridine-κ<i>N</i>]nitrobis(triphenylphosphine-<i>P</i>)ruthenium(II) Perchlorate Ethanol Solvate
Acta Crystallographica Section C
53(10)
(1997)
1405-1407 | 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/2/00/65/2006596.cif $
#-------------------------------------------------------------------... | |||||||||||
2,006,597 | 10.078 | 0.001 | 13.7748 | 0.0009 | 24.167 | 0.003 | 92.048 | 0.008 | 90.67 | 0.01 | 100.186 | 0.009 | 3,299.4 | 0.6 | 298 | 2 | 298 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | Acetatobis(triphenylphosphine)silver(I) | - C38 H33 Ag O2 P2 - | - C38 H33 Ag O2 P2 - | - C152 H132 Ag4 O8 P8 - | 4 | 2 | KH1148 | Ng, Seik Weng; Othman, A. Hamid | Silver Acetate‒Triphenylphosphine Complexes. Acetatobis(triphenylphosphine)silver(I) and its Sesquihydrate, and Bis[acetato(triphenylphosphine)silver(I)] Hydrate and its Hemihydrate | Acta Crystallographica Section C | 1,997 | 53 | 10 | 1396 | 1400 | 10.1107/S0108270197006690 | 0.71073 | MoKα | 0.0478 | 0.0378 | null | 0.1009 | 0.0937 | null | null | null | 1.071 | 1.099 | 1.099 | null | null | null | has coordinates,has disorder | Ng, Seik Weng; Othman, A. Hamid
Silver Acetate‒Triphenylphosphine Complexes. Acetatobis(triphenylphosphine)silver(I) and its Sesquihydrate, and Bis[acetato(triphenylphosphine)silver(I)] Hydrate and its Hemihydrate
Acta Crystallographica Section C
53(10)
(1997)
1396-1400 | 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/2/00/65/2006597.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,598 | 44.318 | 0.006 | 13.2622 | 0.0008 | 25.06 | 0.003 | 90 | null | 105.492 | 0.005 | 90 | null | 14,194 | 3 | 298 | 2 | 298 | 2 | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | Acetatobis(triphenylphosphine)silver(I) sesquihydrate | - C38 H36 Ag O3.5 P2 - | - C38 H36 Ag O3.5 P2 - | - C608 H576 Ag16 O56 P32 - | 16 | 2 | KH1148 | Ng, Seik Weng; Othman, A. Hamid | Silver Acetate‒Triphenylphosphine Complexes. Acetatobis(triphenylphosphine)silver(I) and its Sesquihydrate, and Bis[acetato(triphenylphosphine)silver(I)] Hydrate and its Hemihydrate | Acta Crystallographica Section C | 1,997 | 53 | 10 | 1396 | 1400 | 10.1107/S0108270197006690 | 0.71073 | MoKα | 0.0822 | 0.0482 | null | 0.1348 | 0.1162 | null | null | null | 1.059 | 1.118 | 1.118 | null | null | null | has coordinates | Ng, Seik Weng; Othman, A. Hamid
Silver Acetate‒Triphenylphosphine Complexes. Acetatobis(triphenylphosphine)silver(I) and its Sesquihydrate, and Bis[acetato(triphenylphosphine)silver(I)] Hydrate and its Hemihydrate
Acta Crystallographica Section C
53(10)
(1997)
1396-1400 | 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/2/00/65/2006598.cif $
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2,230,166 | 8.6495 | 0.0006 | 17.9486 | 0.0012 | 9.113 | 0.0006 | 90 | null | 110.603 | 0.001 | 90 | null | 1,324.27 | 0.15 | 296 | 2 | 296 | 2 | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | {2-[(η^5^-Cyclopentadienyl)diphenylmethyl]-1<i>H</i>-imidazolido- κ<i>N</i>}bis(<i>N</i>,<i>N</i>-diethylamido)titanium(IV) | - C29 H36 N4 Ti - | - C29 H36 N4 Ti - | - C58 H72 N8 Ti2 - | 2 | 1 | WM2469 | Cai, Xianfeng; Xu, Yingying; Nie, Wanli; Borzov, Maxim V. | {2-[(η^5^-Cyclopentadienyl)diphenylmethyl]-1<i>H</i>-imidazolido-κ<i>N</i>}bis(<i>N</i>,<i>N</i>-diethylamido)titanium(IV) | Acta Crystallographica Section E | 2,011 | 67 | 5 | m549 | m550 | 10.1107/S1600536811012396 | 0.71073 | MoKα | 0.056 | 0.0399 | null | null | 0.0956 | 0.1018 | null | null | null | null | null | 0.985 | null | null | has coordinates,has Fobs | Cai, Xianfeng; Xu, Yingying; Nie, Wanli; Borzov, Maxim V.
{2-[(η^5^-Cyclopentadienyl)diphenylmethyl]-1<i>H</i>-imidazolido-κ<i>N</i>}bis(<i>N</i>,<i>N</i>-diethylamido)titanium(IV)
Acta Crystallographica Section E
67(5)
(2011)
m549-m550 | 176,798 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-21 02:03:34 +0200 (Sun, 21 Feb 2016) $
#$Revision: 176798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/01/2230166.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,599 | 15.85 | 0.001 | 12.4271 | 0.0006 | 19.935 | 0.002 | 90 | null | 103.96 | 0.004 | 90 | null | 3,810.6 | 0.5 | 298 | 2 | 298 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | Bis(acetatotriphenylphosphinesilver(I)] hydrate | - C40 H38 Ag2 O5 P2 - | - C40 H38 Ag2 O5 P2 - | - C160 H152 Ag8 O20 P8 - | 4 | 1 | KH1148 | Ng, Seik Weng; Othman, A. Hamid | Silver Acetate‒Triphenylphosphine Complexes. Acetatobis(triphenylphosphine)silver(I) and its Sesquihydrate, and Bis[acetato(triphenylphosphine)silver(I)] Hydrate and its Hemihydrate | Acta Crystallographica Section C | 1,997 | 53 | 10 | 1396 | 1400 | 10.1107/S0108270197006690 | 0.71073 | MoKα | 0.0551 | 0.0449 | null | 0.1178 | 0.1107 | null | null | null | 1.138 | 1.18 | 1.18 | null | null | null | has coordinates | Ng, Seik Weng; Othman, A. Hamid
Silver Acetate‒Triphenylphosphine Complexes. Acetatobis(triphenylphosphine)silver(I) and its Sesquihydrate, and Bis[acetato(triphenylphosphine)silver(I)] Hydrate and its Hemihydrate
Acta Crystallographica Section C
53(10)
(1997)
1396-1400 | 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/2/00/65/2006599.cif $
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2,006,600 | 12.1443 | 0.0006 | 19.2794 | 0.0008 | 15.8815 | 0.0009 | 90 | null | 90 | null | 90 | null | 3,718.4 | 0.3 | 298 | 2 | 298 | 2 | null | null | null | null | 5 | P 21 21 2 | P 2 2ab | 18 | Bis[acetatotriphenylphosphinesilver(I)] hemihydrate | - C40 H37 Ag2 O4.5 P2 - | - C40 H37 Ag2 O4.5 P2 - | - C160 H148 Ag8 O18 P8 - | 4 | 1 | KH1148 | Ng, Seik Weng; Othman, A. Hamid | Silver Acetate‒Triphenylphosphine Complexes. Acetatobis(triphenylphosphine)silver(I) and its Sesquihydrate, and Bis[acetato(triphenylphosphine)silver(I)] Hydrate and its Hemihydrate | Acta Crystallographica Section C | 1,997 | 53 | 10 | 1396 | 1400 | 10.1107/S0108270197006690 | 0.71073 | MoKα | 0.0418 | 0.033 | null | 0.08 | 0.0755 | null | null | null | 1.048 | 1.065 | 1.065 | null | null | null | has coordinates | Ng, Seik Weng; Othman, A. Hamid
Silver Acetate‒Triphenylphosphine Complexes. Acetatobis(triphenylphosphine)silver(I) and its Sesquihydrate, and Bis[acetato(triphenylphosphine)silver(I)] Hydrate and its Hemihydrate
Acta Crystallographica Section C
53(10)
(1997)
1396-1400 | 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/2/00/66/2006600.cif $
#-------------------------------------------------------------------... | ||||||||||
2,230,165 | 8.34 | 0.004 | 8.34 | 0.004 | 24.007 | 0.008 | 90 | null | 90 | null | 120 | null | 1,446.1 | 1.1 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | R -3 :H | -R 3 | 148 | rubidium ditin(IV) tris(phosphate) | - O12 P3 Rb Sn2 - | - O12 P3 Rb Sn2 - | - O72 P18 Rb6 Sn12 - | 6 | 0.333333 | WM2466 | Zhao, Dan; Li, FeiFei; Qiu, Shen; Jiao, Jiali; Ren, Junran | RbSn~2~(PO~4~)~3~, a NASICON-type phosphate | Acta Crystallographica Section E | 2,011 | 67 | 5 | i32 | 10.1107/S1600536811014310 | 0.71073 | MoKα | 0.0285 | 0.0259 | null | null | 0.0426 | 0.0433 | null | null | null | null | null | 1.158 | null | null | has coordinates,has Fobs | Zhao, Dan; Li, FeiFei; Qiu, Shen; Jiao, Jiali; Ren, Junran
RbSn~2~(PO~4~)~3~, a NASICON-type phosphate
Acta Crystallographica Section E
67(5)
(2011)
i32 | 288,505 | 2023-12-22 | 15:12:01 | #------------------------------------------------------------------------------
#$Date: 2023-12-22 17:07:40 +0200 (Fri, 22 Dec 2023) $
#$Revision: 288505 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/01/2230165.cif $
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2,006,601 | 5.2894 | 0.0005 | 8.6106 | 0.0008 | 9.1884 | 0.0009 | 101.801 | 0.007 | 97.055 | 0.009 | 96.293 | 0.008 | 402.61 | 0.07 | 300 | 2 | 300 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | Bis-4,4'pyridiniumdiazomethane diperchlorate | - C12 H12 Cl2 N4 O8 - | - C12 H12 Cl2 N4 O8 - | - C12 H12 Cl2 N4 O8 - | 1 | 0.5 | KH1150 | Chen, Wei; Liu, Cai-ming; Li, Da-guang; You, Xiao-zeng | 4,4'-Azinodimethyldipyridinium Diperchlorate, C~12~H~12~N~4~^2+^.2ClO~4~^{-^} | Acta Crystallographica Section C | 1,997 | 53 | 10 | 1499 | 1501 | 10.1107/S0108270197005970 | 0.71073 | MoKα | 0.0584 | 0.0411 | null | 0.1099 | 0.1024 | null | null | null | 1.019 | 1.107 | 1.107 | null | null | null | has coordinates | Chen, Wei; Liu, Cai-ming; Li, Da-guang; You, Xiao-zeng
4,4'-Azinodimethyldipyridinium Diperchlorate, C~12~H~12~N~4~^2+^.2ClO~4~^{-^}
Acta Crystallographica Section C
53(10)
(1997)
1499-1501 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$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/2/00/66/2006601.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,602 | 6.193 | 0.001 | 9.077 | 0.001 | 15.882 | 0.0002 | 90.69 | 0.01 | 96.39 | 0.01 | 101.75 | 0.01 | 868.1 | 0.17 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | Tris(3-chlorophenyl)phosphine oxide. | - C18 H12 Cl3 O P - | - C18 H12 Cl3 O P - | - C36 H24 Cl6 O2 P2 - | 2 | 1 | MU1324 | Shawkataly, Omar bin; Ramalingam, Kuppukkannu; Selvakumar, Suppramanian; Fun, Hoong-Kun; Ibrahim, Abdul Razak | Tris(3-chlorophenyl)phosphine Oxide | Acta Crystallographica Section C | 1,997 | 53 | 10 | 1451 | 1452 | 10.1107/S0108270197006045 | 0.71073 | MoKα | 0.0958 | 0.0612 | null | 0.1746 | 0.159 | null | null | null | 0.908 | 1.084 | 1.084 | null | null | null | has coordinates | Shawkataly, Omar bin; Ramalingam, Kuppukkannu; Selvakumar, Suppramanian; Fun, Hoong-Kun; Ibrahim, Abdul Razak
Tris(3-chlorophenyl)phosphine Oxide
Acta Crystallographica Section C
53(10)
(1997)
1451-1452 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$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/2/00/66/2006602.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,603 | 7.957 | 0.001 | 10.677 | 0.001 | 14.909 | 0.002 | 90 | null | 100.51 | 0.01 | 90 | null | 1,245.4 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | - C13 H10 N4 O3 - | - C13 H10 N4 O3 - | - C52 H40 N16 O12 - | 4 | 1 | MU1325 | Hoong-Kun Fun; Zhong-Lin Lu; Chun-Ying Duan; Yu-Peng Tian; Xiao-Zeng You; Yu-Mei Guo; Xiao-Yang Gong | <i>p</i>-Nitrobenzaldehyde Isonicotinoylhydrazone | Acta Crystallographica Section C | 1,997 | 53 | 10 | 1452 | 1454 | 10.1107/S0108270197008135 | 0.71073 | MoKα | 0.0719 | 0.0407 | null | 0.1135 | 0.1034 | null | null | null | 0.903 | 1.079 | 1.079 | null | null | null | has coordinates | Hoong-Kun Fun; Zhong-Lin Lu; Chun-Ying Duan; Yu-Peng Tian; Xiao-Zeng You; Yu-Mei Guo; Xiao-Yang Gong
<i>p</i>-Nitrobenzaldehyde Isonicotinoylhydrazone
Acta Crystallographica Section C
53(10)
(1997)
1452-1454 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$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/2/00/66/2006603.cif $
#-------------------------------------------------------------------... | |||||||||||
2,006,604 | 13.531 | 0.001 | 11.766 | 0.001 | 10.272 | 0.003 | 90 | null | 106.71 | 0.01 | 90 | null | 1,566.3 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | - C16 H19 N3 O2 - | - C16 H19 N3 O2 - | - C64 H76 N12 O8 - | 4 | 1 | MU1326 | Hoong-Kun Fun; Zhong-Lin Lu; Chun-Ying Duan; Yu-Peng Tian; Xiao-Zeng You; Xiao-Yang Gong; Yu-Mei Guo | <i>p</i>-(Dimethylamino)benzaldehyde Benzoylhydrazone Monohydrate | Acta Crystallographica Section C | 1,997 | 53 | 10 | 1454 | 1455 | 10.1107/S0108270197008147 | 0.71073 | MoKα | 0.1472 | 0.0456 | null | 0.1258 | 0.0973 | null | null | null | 0.788 | 1.092 | 1.092 | null | null | null | has coordinates | Hoong-Kun Fun; Zhong-Lin Lu; Chun-Ying Duan; Yu-Peng Tian; Xiao-Zeng You; Xiao-Yang Gong; Yu-Mei Guo
<i>p</i>-(Dimethylamino)benzaldehyde Benzoylhydrazone Monohydrate
Acta Crystallographica Section C
53(10)
(1997)
1454-1455 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$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/2/00/66/2006604.cif $
#-------------------------------------------------------------------... | |||||||||||
2,006,605 | 9.035 | 0.001 | 12.501 | 0.001 | 6.9634 | 0.0005 | 96.62 | 0.01 | 102.08 | 0.01 | 73.56 | 0.01 | 736.31 | 0.12 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | 4-chloro-3-methoxycarbonyl-2-dimethoxyphosphoryl-2H-1-benzopyran | - C13 H14 Cl O6 P - | - C13 H14 Cl O8 P - | - C26 H28 Cl2 O16 P2 - | 2 | 1 | NA1207 | Olszak, Tomasz A.; Grabowski, Mieczysław J.; Stępień, Andrzej; Modranka, R.; Kostka, K. | 2H-1-Benzopyrans. 4-Chloro-3-methoxycarbonyl-2-dimethoxyphosphoryl-2H-1-benzopyran, (I) and 4-Chloro-2-dimethoxyphosphoryl-2H-1-benzopyran, (II) | Acta Crystallographica Section C | 1,997 | 53 | 1514 | 1516 | 10.1107/S010827019700735X | 1.54178 | CuKα | 0.0444 | 0.0328 | null | 0.0931 | 0.0901 | null | null | null | 1.038 | 1.195 | 1.195 | null | null | null | has coordinates | Olszak, Tomasz A.; Grabowski, Mieczysław J.; Stępień, Andrzej; Modranka, R.; Kostka, K.
2H-1-Benzopyrans. 4-Chloro-3-methoxycarbonyl-2-dimethoxyphosphoryl-2H-1-benzopyran, (I) and 4-Chloro-2-dimethoxyphosphoryl-2H-1-benzopyran, (II)
Acta Crystallographica Section C
53
(1997)
1514-1516 | 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/2/00/66/2006605.cif $
#-------------------------------------------------------------------... | |||||||||||
2,230,164 | 21.75 | 0.004 | 11.618 | 0.002 | 11.028 | 0.002 | 90 | null | 93.24 | 0.03 | 90 | null | 2,782.2 | 0.9 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | C 1 2/c 1 | -C 2yc | 15 | <i>catena</i>-Poly[[diaquabis[2-(4-tolylsulfanyl)acetato- κ<i>O</i>]manganese(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] | - C28 H30 Mn N2 O6 S2 - | - C28 H30 Mn N2 O6 S2 - | - C112 H120 Mn4 N8 O24 S8 - | 4 | 0.5 | WM2465 | Zheng, Xiao-Yong | <i>catena</i>-Poly[[diaquabis[2-(4-tolylsulfanyl)acetato-κ<i>O</i>]manganese(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] | Acta Crystallographica Section E | 2,011 | 67 | 5 | m524 | 10.1107/S1600536811011263 | 0.71073 | MoKα | 0.0378 | 0.0339 | null | null | 0.0915 | 0.0949 | null | null | null | null | null | 1.066 | null | null | has coordinates,has Fobs | Zheng, Xiao-Yong
<i>catena</i>-Poly[[diaquabis[2-(4-tolylsulfanyl)acetato-κ<i>O</i>]manganese(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>']
Acta Crystallographica Section E
67(5)
(2011)
m524 | 176,798 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-21 02:03:34 +0200 (Sun, 21 Feb 2016) $
#$Revision: 176798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/01/2230164.cif $
#-------------------------------------------------------------------... | |||||||||||
2,006,606 | 7.8864 | 0.0005 | 11.3138 | 0.001 | 7.2675 | 0.0006 | 108.444 | 0.007 | 92.736 | 0.007 | 82.8 | 0.007 | 610.26 | 0.09 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | 4-chloro-2-dimethoxyphosphoryl-2H-1-benzopyran | - C11 H12 Cl O4 P - | - C11 H12 Cl O4 P - | - C22 H24 Cl2 O8 P2 - | 2 | 1 | NA1207 | Olszak, Tomasz A.; Grabowski, Mieczysław J.; Stępień, Andrzej; Modranka, R.; Kostka, K. | 2H-1-Benzopyrans. 4-Chloro-3-methoxycarbonyl-2-dimethoxyphosphoryl-2H-1-benzopyran, (I) and 4-Chloro-2-dimethoxyphosphoryl-2H-1-benzopyran, (II) | Acta Crystallographica Section C | 1,997 | 53 | 1514 | 1516 | 10.1107/S010827019700735X | 1.54178 | CuKα | 0.0469 | 0.0325 | null | 0.091 | 0.0881 | null | null | null | 0.966 | 1.082 | 1.082 | null | null | null | has coordinates | Olszak, Tomasz A.; Grabowski, Mieczysław J.; Stępień, Andrzej; Modranka, R.; Kostka, K.
2H-1-Benzopyrans. 4-Chloro-3-methoxycarbonyl-2-dimethoxyphosphoryl-2H-1-benzopyran, (I) and 4-Chloro-2-dimethoxyphosphoryl-2H-1-benzopyran, (II)
Acta Crystallographica Section C
53
(1997)
1514-1516 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$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/2/00/66/2006606.cif $
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2,006,607 | 16.657 | 0.001 | 7.351 | 0.002 | 18.4 | 0.002 | 90 | null | 108.3 | 0.01 | 90 | null | 2,139.1 | 0.7 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | 9-(2-phenylethyl)-3,3,6,6 tetramethyl-3,4,6,7,910-hexahydro-1,8(2H,5H) acridine dione | - C25 H31 N O2 - | - C25 H31 N O2 - | - C100 H124 N4 O8 - | 4 | 1 | NA1284 | K. Gunasekaran; D. Velmurugan; P. Murugan | 3,3,6,6-Tetramethyl-9-(2-phenylethyl)-3,4,6,7,9,10-hexahydro-1,8(2<i>H</i>,5<i>H</i>)-acridinedione | Acta Crystallographica Section C | 1,997 | 53 | 10 | 1512 | 1514 | 10.1107/S0108270197006987 | 0.71073 | MoKα | 0.0583 | 0.0515 | null | 0.1604 | 0.1386 | null | null | null | 1.066 | 1.096 | 1.096 | null | null | null | has coordinates | K. Gunasekaran; D. Velmurugan; P. Murugan
3,3,6,6-Tetramethyl-9-(2-phenylethyl)-3,4,6,7,9,10-hexahydro-1,8(2<i>H</i>,5<i>H</i>)-acridinedione
Acta Crystallographica Section C
53(10)
(1997)
1512-1514 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$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/2/00/66/2006607.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,608 | 10.497 | 0.002 | 13.332 | 0.003 | 19.369 | 0.004 | 90 | null | 90 | null | 90 | null | 2,710.6 | 1 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 21 21 21 | P 2ac 2ab | 19 | (2S)-(+)-Dicarbonyl[h5-(2,6,6-trimethyl-cyclohepta-2,4-diene-1-on)] triphenylphosphan-iron | - C30 H29 Fe O3 P - | - C30 H29 Fe O3 P - | - C120 H116 Fe4 O12 P4 - | 4 | 1 | NA1298 | Petrowitsch, Tanja; Grosser, Rolf; Schürmann, Markus; Preut, Hans; Eilbracht, Peter | (2<i>S</i>)-(+)-Dicarbonyl(η^4^-2,6,6-trimethylcyclohepta-2,4-dienone)(triphenylphosphine-<i>P</i>)iron | Acta Crystallographica Section C | 1,997 | 53 | 10 | 1383 | 1384 | 10.1107/S010827019700718X | 0.71069 | MoKα | 0.087 | 0.034 | null | 0.05 | 0.044 | null | null | null | 0.825 | 0.952 | 0.952 | null | null | null | has coordinates | Petrowitsch, Tanja; Grosser, Rolf; Schürmann, Markus; Preut, Hans; Eilbracht, Peter
(2<i>S</i>)-(+)-Dicarbonyl(η^4^-2,6,6-trimethylcyclohepta-2,4-dienone)(triphenylphosphine-<i>P</i>)iron
Acta Crystallographica Section C
53(10)
(1997)
1383-1384 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/66/2006608.cif $
#-------------------------------------------------------------------... | ||||||||||
2,230,163 | 9.881 | 0.0001 | 19.679 | 0.0005 | 6.453 | 0.0003 | 90 | null | 108.26 | 0.02 | 90 | null | 1,191.59 | 0.15 | 293 | 2 | 293 | 2 | 98.6 | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | Rubidium 2,4,6-trioxo-1,3-diazinan-5-ide‒1,3-diazinane-2,4,6-trione‒water (1/1/1) | - C8 H9 N4 O7 Rb - | - C8 H9 N4 O7 Rb - | - C32 H36 N16 O28 Rb4 - | 4 | 1 | VM2087 | Gryl, Marlena; Stadnicka, Katarzyna | Rubidium 2,4,6-trioxo-1,3-diazinan-5-ide‒1,3-diazinane-2,4,6-trione‒water (1/1/1) | Acta Crystallographica Section E | 2,011 | 67 | 5 | m571 | m572 | 10.1107/S1600536811012657 | 0.71073 | MoKα | 0.0299 | 0.0239 | null | 0.0592 | null | 0.0592 | null | null | 1.033 | null | null | 1.033 | null | null | has coordinates,has Fobs | Gryl, Marlena; Stadnicka, Katarzyna
Rubidium 2,4,6-trioxo-1,3-diazinan-5-ide‒1,3-diazinane-2,4,6-trione‒water (1/1/1)
Acta Crystallographica Section E
67(5)
(2011)
m571-m572 | 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/2/23/01/2230163.cif $
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2,006,609 | 7.642 | 0.004 | 19.928 | 0.008 | 8.388 | 0.004 | 90 | null | 113.23 | 0.02 | 90 | null | 1,173.8 | 1 | 291 | 1 | 291 | 1 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | Dimethyl 2-iodobenzoylphosphonate | 2-iodobenzoylphosphonic acid dimethyl ester | - C9 H10 I O4 P - | - C9 H10 I O4 P - | - C36 H40 I4 O16 P4 - | 4 | 1 | NA1305 | Griffiths, D. Vaughan; Harris, Jayne E.; Miller, John R. | Dimethyl 2-Iodobenzoylphosphonate, an Unusual Example of a Crystalline α-Ketophosphonate | Acta Crystallographica Section C | 1,997 | 53 | 10 | 1462 | 1464 | 10.1107/S0108270197006252 | 0.71073 | MoKα | 0.0424 | 0.0335 | null | 0.0966 | 0.0906 | null | null | null | 1.147 | 1.173 | 1.173 | null | null | null | has coordinates | Griffiths, D. Vaughan; Harris, Jayne E.; Miller, John R.
Dimethyl 2-Iodobenzoylphosphonate, an Unusual Example of a Crystalline α-Ketophosphonate
Acta Crystallographica Section C
53(10)
(1997)
1462-1464 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$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/2/00/66/2006609.cif $
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2,006,610 | 9.097 | 0.002 | 13.94 | 0.002 | 8.933 | 0.003 | 98.89 | 0.02 | 114.81 | 0.02 | 83.16 | 0.02 | 1,014 | 0.5 | 296 | null | 296 | null | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C10 H26 K N2 O15 Yb - | - C10 H26 K N2 O15 Yb - | - C20 H52 K2 N4 O30 Yb2 - | 2 | 1 | OA1022 | Sakagami, Narumi; Homma, Jun-ichi; Konno, Takumi; Okamoto, Ken-ichi | Potassium Diaqua(ethylenediaminetetraacetato)ytterbate(III) Pentahydrate | Acta Crystallographica Section C | 1,997 | 53 | 10 | 1376 | 1378 | 10.1107/S0108270197006094 | 0.7107 | MoKα | null | 0.0262 | null | null | 0.038 | null | null | null | null | 1.007 | 1.007 | null | null | null | has coordinates | Sakagami, Narumi; Homma, Jun-ichi; Konno, Takumi; Okamoto, Ken-ichi
Potassium Diaqua(ethylenediaminetetraacetato)ytterbate(III) Pentahydrate
Acta Crystallographica Section C
53(10)
(1997)
1376-1378 | 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/2/00/66/2006610.cif $
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2,006,611 | 14.531 | 0.004 | 15.867 | 0.005 | 13.481 | 0.004 | 90 | null | 90 | null | 90 | null | 3,108.2 | 1.6 | 293.2 | null | 293.2 | null | null | null | null | null | 5 | P b c a | -P 2ac 2ab | 61 | - C14 H21 I N2 O - | - C14 H21 I N2 O - | - C112 H168 I8 N16 O8 - | 8 | 1 | OA1026 | Mikata, Yuji | Out-of-Plane Orientation of the Carbamoyl Group in an NAD Model Compound: Preferred 1,3-Diaxial Methyl Configuration | Acta Crystallographica Section C | 1,997 | 53 | 10 | 1486 | 1488 | 10.1107/S0108270197006926 | 0.7107 | MoKα | 0.129 | 0.051 | null | 0.096 | 0.071 | null | null | null | 0.988 | 1 | 1 | null | null | null | has coordinates | Mikata, Yuji
Out-of-Plane Orientation of the Carbamoyl Group in an NAD Model Compound: Preferred 1,3-Diaxial Methyl Configuration
Acta Crystallographica Section C
53(10)
(1997)
1486-1488 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$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/2/00/66/2006611.cif $
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2,230,162 | 11.215 | 0.002 | 9.393 | 0.002 | 19.655 | 0.003 | 90 | null | 98.61 | 0.02 | 90 | null | 2,047.2 | 0.7 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | <i>N</i>-(2-Chlorophenylsulfonyl)acetamide | - C8 H8 Cl N O3 S - | - C8 H8 Cl N O3 S - | - C64 H64 Cl8 N8 O24 S8 - | 8 | 2 | VM2086 | Shakuntala, K.; Foro, Sabine; Gowda, B. Thimme | <i>N</i>-(2-Chlorophenylsulfonyl)acetamide | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1097 | 10.1107/S1600536811012785 | 0.71073 | MoKα | 0.1541 | 0.0566 | null | null | 0.0792 | 0.0987 | null | null | null | null | null | 0.949 | null | null | has coordinates,has Fobs | Shakuntala, K.; Foro, Sabine; Gowda, B. Thimme
<i>N</i>-(2-Chlorophenylsulfonyl)acetamide
Acta Crystallographica Section E
67(5)
(2011)
o1097 | 301,806 | 2025-08-19 | 15:27:02 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301806 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/01/2230162.cif $
#-------------------------------------------------------------------... | |||||||||||
2,006,612 | 9.974 | 0.0002 | 6.752 | 0.0001 | 12.4097 | 0.0002 | 90 | null | 110.34 | 0.001 | 90 | null | 783.61 | 0.02 | 133 | null | 133 | null | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | 5,5-dimethyl-1,3-cyclohexanedione | - C8 H12 O2 - | - C8 H12 O2 - | - C32 H48 O8 - | 4 | 1 | QA0018 | Bolte, Michael; Scholtyssik, Maria | Dimedone at 133K | Acta Crystallographica Section C | 1,997 | 53 | 10 | IUC9700013 | 10.1107/S0108270197099423 | 0.71073 | MoKα | 0.0402 | 0.0335 | null | 0.091 | 0.0872 | null | null | null | 1.066 | 1.107 | 1.107 | null | null | null | has coordinates,has Fobs | Bolte, Michael; Scholtyssik, Maria
Dimedone at 133K
Acta Crystallographica Section C
53(10)
(1997)
IUC9700013 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$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/2/00/66/2006612.cif $
#-------------------------------------------------------------------... | |||||||||||
2,006,613 | 9.489 | 0.001 | 12.728 | 0.002 | 21.415 | 0.002 | 90 | null | 90 | null | 90 | null | 2,586.4 | 0.5 | 293 | null | 293 | null | null | null | null | null | 5 | P 21 21 21 | P 2ac 2ab | 19 | 4-Ethyl-3-(4-methyl-benzolsulfonyl)-2-(4-hydroxy-5- ((1'-hydroxy)-propyl)-2-phenyl-cyclohex-2-ene)-1,3-oxazolidine | - C27 H35 N O5 S - | - C27 H35 N O5 S - | - C108 H140 N4 O20 S4 - | 4 | 1 | QA0020 | Bolte, Michael; Monz, Sabine | 4-Ethyl-2-[4-hydroxy-5-(1-hydroxypropyl)-2-phenyl-2-cyclohexenyl]-3-tosyl-1,3-oxazolidine | Acta Crystallographica Section C | 1,997 | 53 | 10 | IUC9700014 | 10.1107/S0108270197099411 | 1.5418 | CuKα | 0.046 | 0.045 | null | 0.1188 | 0.1169 | null | null | null | 1.07 | 1.068 | 1.068 | null | null | null | has coordinates,has Fobs | Bolte, Michael; Monz, Sabine
4-Ethyl-2-[4-hydroxy-5-(1-hydroxypropyl)-2-phenyl-2-cyclohexenyl]-3-tosyl-1,3-oxazolidine
Acta Crystallographica Section C
53(10)
(1997)
IUC9700014 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$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/2/00/66/2006613.cif $
#-------------------------------------------------------------------... | |||||||||||
2,006,614 | 5.7263 | 0.001 | 6.5517 | 0.0012 | 8.8001 | 0.0007 | 92.647 | 0.011 | 95.889 | 0.01 | 105.474 | 0.014 | 315.57 | 0.09 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | Ethylene diammonium monohydrogenmaleate | - C10 H16 N2 O8 - | - C10 H16 N2 O8 - | - C10 H16 N2 O8 - | 1 | 0.5 | QB0015 | Barnes, John C.; Weakley, Timothy J.R. | Hydrogen Bond Network in Ethylenediammonium Bis(hydrogenmaleate) | Acta Crystallographica Section C | 1,997 | 53 | 10 | IUC9700018 | 10.1107/S0108270197099381 | 0.71069 | MoKα | 0.0355 | 0.0323 | null | null | null | 0.1025 | null | null | null | null | null | 1.124 | null | null | has coordinates,has Fobs | Barnes, John C.; Weakley, Timothy J.R.
Hydrogen Bond Network in Ethylenediammonium Bis(hydrogenmaleate)
Acta Crystallographica Section C
53(10)
(1997)
IUC9700018 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$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/2/00/66/2006614.cif $
#-------------------------------------------------------------------... | |||||||||||
2,006,615 | 25.4066 | 0.0003 | 20.9992 | 0.0001 | 15.2026 | 0.0002 | 90 | null | 109.024 | 0.001 | 90 | null | 7,667.87 | 0.15 | 133 | null | 133 | null | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | 15 | 1,3-Bis-(2,4,6-Triphenyl-pyrimidin-5-yl)-urea | - C48 H38 N6 O2 - | - C48 H38 N6 O2 - | - C384 H304 N48 O16 - | 8 | 1 | QB0016 | Bolte, Michael | 1,3-Bis(2,4,6-triphenylpyrimidin-5-yl)urea–Acetone (1/1) at 133K | Acta Crystallographica Section C | 1,997 | 53 | 10 | IUC9700015 | 10.1107/S010827019709940X | 0.71073 | MoKα | 0.0504 | 0.0397 | null | 0.1036 | 0.0954 | null | null | null | 1.046 | 1.057 | 1.057 | null | null | null | has coordinates,has Fobs | Bolte, Michael
1,3-Bis(2,4,6-triphenylpyrimidin-5-yl)urea–Acetone (1/1) at 133K
Acta Crystallographica Section C
53(10)
(1997)
IUC9700015 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$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/2/00/66/2006615.cif $
#-------------------------------------------------------------------... | |||||||||||
2,006,616 | 31.441 | 0.005 | 8.3824 | 0.0011 | 15.409 | 0.002 | 90 | null | 102.09 | 0.012 | 90 | null | 3,971 | 1 | 288 | 2 | 288 | 2 | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | Bis(N,N-dimethyl-2-pyridin-1H-iumamine) Tetrachlorocobaltate(II) | - C14 H22 Cl4 Co N4 - | - C14 H22 Cl4 Co N4 - | - C112 H176 Cl32 Co8 N32 - | 8 | 1 | QB0019 | Land, John M.; Baughman, Russell G.; Hester, Colin A. | Bis[2-(dimethylamino)pyridinium] Tetrachlorocobaltate(II) | Acta Crystallographica Section C | 1,997 | 53 | 10 | IUC9700016 | 10.1107/S0108270197099435 | 0.71073 | MoKα | 0.066 | 0.04 | null | 0.096 | 0.083 | null | null | null | 1.045 | 1.095 | 1.095 | null | null | null | has coordinates | Land, John M.; Baughman, Russell G.; Hester, Colin A.
Bis[2-(dimethylamino)pyridinium] Tetrachlorocobaltate(II)
Acta Crystallographica Section C
53(10)
(1997)
IUC9700016 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/66/2006616.cif $
#-------------------------------------------------------------------... | |||||||||||
2,006,617 | 22.874 | 0.006 | 5.101 | 0.001 | 18.261 | 0.004 | 90 | null | 122.87 | 0.01 | 90 | null | 1,789.6 | 0.7 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | C 1 2 1 | C 2y | 5 | (S,S)-2-methyl-4-phenyl-N-[(methoxycarbonyl)phenylmethyl]butanamide | - C20 H23 N O3 - | - C20 H23 N O3 - | - C80 H92 N4 O12 - | 4 | 1 | QB0020 | Yoshinobu Inouye; Tetsuya Yabuuti; Takenori Kusumi | Conformation of (<i>S</i>,<i>S</i>)-Methyl (2-Methyl-4-phenylbutanamido)(phenyl)acetate | Acta Crystallographica Section C | 1,997 | 53 | 10 | IUC9700017 | 10.1107/S0108270197099393 | 0.71073 | MoKα | 0.0981 | 0.0466 | null | 0.133 | 0.1107 | null | null | null | 1.043 | 1.092 | 1.092 | null | null | null | has coordinates | Yoshinobu Inouye; Tetsuya Yabuuti; Takenori Kusumi
Conformation of (<i>S</i>,<i>S</i>)-Methyl (2-Methyl-4-phenylbutanamido)(phenyl)acetate
Acta Crystallographica Section C
53(10)
(1997)
IUC9700017 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$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/2/00/66/2006617.cif $
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2,230,161 | 10.703 | 0.002 | 13.472 | 0.003 | 15.151 | 0.003 | 90 | null | 90 | null | 90 | null | 2,184.6 | 0.8 | 293 | 2 | 293 | 2 | 100 | null | null | null | 6 | P b c m | -P 2c 2b | 57 | Dicyanido[tris(2-pyridylmethyl)amine]cobalt(III) hexafluoridophosphate | - C20 H18 Co F6 N6 P - | - C20 H18 Co F6 N6 P - | - C80 H72 Co4 F24 N24 P4 - | 4 | 0.5 | VM2083 | Yu, Fan; Li, Bao | Dicyanido[tris(2-pyridylmethyl)amine]cobalt(III) hexafluoridophosphate | Acta Crystallographica Section E | 2,011 | 67 | 5 | m566 | 10.1107/S1600536811012001 | 0.71073 | MoKα | 0.0265 | 0.0253 | null | null | 0.069 | 0.0698 | null | null | null | null | null | 1.081 | null | null | has coordinates,has Fobs | Yu, Fan; Li, Bao
Dicyanido[tris(2-pyridylmethyl)amine]cobalt(III) hexafluoridophosphate
Acta Crystallographica Section E
67(5)
(2011)
m566 | 176,798 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-21 02:03:34 +0200 (Sun, 21 Feb 2016) $
#$Revision: 176798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/01/2230161.cif $
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2,006,618 | 8.493 | 0.001 | 11.253 | 0.002 | 11.368 | 0.002 | 90 | null | 108.46 | 0.02 | 90 | null | 1,030.6 | 0.3 | 153 | 2 | 293 | null | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | - C22 H33 N O3 - | - C22 H33 N O3 - | - C44 H66 N2 O6 - | 2 | 1 | SK1038 | Ertan, Mevlût; Yeşi̇lada, Akgül; Tozkoparan, Birsen; Tarimci, Çeli̇k; Krebs, Bernt; Läge, Mechtild | (1<i>R</i>,2<i>S</i>,4<i>S</i>,11<i>S</i>)-4-Isopropyl-1-methyl-2-(α-<i>N</i>-morpholino-3-methoxybenzyl)cyclohexan-3-one | Acta Crystallographica Section C | 1,997 | 53 | 10 | 1466 | 1468 | 10.1107/S0108270197005064 | 0.71073 | MoKα | 0.0367 | 0.0305 | null | 0.0704 | 0.0686 | null | null | null | null | 0.943 | 0.943 | null | null | null | has coordinates | Ertan, Mevlût; Yeşi̇lada, Akgül; Tozkoparan, Birsen; Tarimci, Çeli̇k; Krebs, Bernt; Läge, Mechtild
(1<i>R</i>,2<i>S</i>,4<i>S</i>,11<i>S</i>)-4-Isopropyl-1-methyl-2-(α-<i>N</i>-morpholino-3-methoxybenzyl)cyclohexan-3-one
Acta Crystallographica Section C
53(10)
(1997)
1466-1468 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$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/2/00/66/2006618.cif $
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2,006,619 | 8.962 | 0.003 | 9.651 | 0.004 | 10.009 | 0.004 | 68.45 | 0.03 | 71.46 | 0.03 | 81.52 | 0.03 | 762.9 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | Methyl 9-Methyl-11-thioxo-8-oxa-12-acetyl-10,12-diazatricyclo[7.3.1.0^2,7^] trideca-2,4,6-triene-13-carboxylate | - C15 H16 N2 O4 S - | - C15 H16 N2 O4 S - | - C30 H32 N4 O8 S2 - | 2 | 1 | SK1098 | Kettmann, Viktor; Svetlík, Ján | Methyl 12-Acetyl-9-methyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0^2,7^]trideca-2,4,6-triene-13-carboxylate | Acta Crystallographica Section C | 1,997 | 53 | 10 | 1493 | 1495 | 10.1107/S010827019700557X | 0.71073 | MoKα | 0.0713 | 0.0505 | null | 0.1453 | 0.1133 | null | null | null | 1.041 | 1.132 | 1.132 | null | null | null | has coordinates | Kettmann, Viktor; Svetlík, Ján
Methyl 12-Acetyl-9-methyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0^2,7^]trideca-2,4,6-triene-13-carboxylate
Acta Crystallographica Section C
53(10)
(1997)
1493-1495 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$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/2/00/66/2006619.cif $
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2,006,620 | 13.891 | 0.002 | 15.426 | 0.003 | 11.014 | 0.002 | 102.81 | 0.02 | 104.94 | 0.02 | 102.71 | 0.02 | 2,125.2 | 0.8 | 291 | null | 291 | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C48 H34 F6 N2 O7 - | - C48 H34 F6 N2 O7 - | - C96 H68 F12 N4 O14 - | 2 | 1 | SX1009 | Swenson, Dale C.; Yamamoto, Michiharu; Burton, Donald J. | A <i>trans</i>-1,2-Diarylhexafluorocyclobutane | Acta Crystallographica Section C | 1,997 | 53 | 10 | 1445 | 1447 | 10.1107/S0108270197003764 | 0.71073 | MoKα | 0 | 0.054 | null | null | 0.078 | null | null | null | null | 1.469 | 1.469 | null | null | null | has coordinates | Swenson, Dale C.; Yamamoto, Michiharu; Burton, Donald J.
A <i>trans</i>-1,2-Diarylhexafluorocyclobutane
Acta Crystallographica Section C
53(10)
(1997)
1445-1447 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$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/2/00/66/2006620.cif $
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2,006,621 | 22.212 | 0.005 | 11.646 | 0.004 | 19.681 | 0.004 | 90 | null | 90 | null | 90 | null | 5,091 | 2 | 291 | null | 291 | null | null | null | null | null | 5 | C 2 2 21 | C 2c 2 | 20 | - C28.5 H35.5 Cl1.5 N O - | - C28.518 H35 Cl1.554 N O - | - C228.144 H280 Cl12.432 N8 O8 - | 8 | 1 | SX1011 | Swenson, Dale C.; TePaske, Mark R.; Baenziger, Norman C.; Gloer, James B. | Tubingensin B, a Cytotoxic Carbazole Alkaloid from the Sclerotia of <i>Aspergillus tubingensis</i> | Acta Crystallographica Section C | 1,997 | 53 | 10 | 1447 | 1449 | 10.1107/S0108270197003776 | 0.71073 | MoKα | 0.0496 | 0.0403 | null | 0.1116 | 0.1023 | null | null | null | 1.166 | 1.144 | 1.144 | null | null | null | has coordinates | Swenson, Dale C.; TePaske, Mark R.; Baenziger, Norman C.; Gloer, James B.
Tubingensin B, a Cytotoxic Carbazole Alkaloid from the Sclerotia of <i>Aspergillus tubingensis</i>
Acta Crystallographica Section C
53(10)
(1997)
1447-1449 | 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/2/00/66/2006621.cif $
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2,230,160 | 11.8208 | 0.0013 | 27.896 | 0.003 | 22.875 | 0.003 | 90 | null | 99.723 | 0.002 | 90 | null | 7,434.7 | 1.5 | 100 | 2 | 100 | 2 | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | 4,4'-Bis[2-(3,5-dimethoxyphenyl)ethenyl]biphenyl | - C32 H30 O4 - | - C32 H30 O4 - | - C384 H360 O48 - | 12 | 3 | VM2079 | Collas, Alain; Zeller, Matthias; Blockhuys, Frank | 4,4'-Bis[2-(3,5-dimethoxyphenyl)ethenyl]biphenyl | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1112 | o1113 | 10.1107/S1600536811012888 | 0.71073 | MoKα | 0.0843 | 0.0596 | null | null | 0.158 | 0.1808 | null | null | null | null | null | 1.033 | null | null | has coordinates,has Fobs | Collas, Alain; Zeller, Matthias; Blockhuys, Frank
4,4'-Bis[2-(3,5-dimethoxyphenyl)ethenyl]biphenyl
Acta Crystallographica Section E
67(5)
(2011)
o1112-o1113 | 301,806 | 2025-08-19 | 15:27:02 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301806 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/01/2230160.cif $
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2,006,622 | 11.871 | 0.001 | 21.586 | 0.002 | 8.484 | 0.001 | 90 | 0.01 | 102.58 | 0.01 | 90 | 0.01 | 2,121.8 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C18 H28 N4 O7 Si - | - C18 H28 N4 O7 Si - | - C72 H112 N16 O28 Si4 - | 4 | 1 | SX1022 | White, Jonathan M.; Tham, Wai-Ying | 9a-Trimethylsilyloctahydroquinolizinium Picrate | Acta Crystallographica Section C | 1,997 | 53 | 10 | 1471 | 1472 | 10.1107/S0108270197006100 | 0.71069 | MoKα | 0.0587 | 0.05 | null | 0.1392 | 0.1331 | null | null | null | 1.034 | 1.089 | 1.089 | null | null | null | has coordinates,has Fobs | White, Jonathan M.; Tham, Wai-Ying
9a-Trimethylsilyloctahydroquinolizinium Picrate
Acta Crystallographica Section C
53(10)
(1997)
1471-1472 | 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/2/00/66/2006622.cif $
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2,006,623 | 6.5362 | 0.0006 | 12.4737 | 0.0012 | 32.056 | 0.003 | 90 | null | 90 | null | 90 | null | 2,613.5 | 0.4 | 122 | 1 | 122 | 1 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | quininium (S)-mandelate | - C28 H32 N2 O5 - | - C28 H32 N2 O5 - | - C112 H128 N8 O20 - | 4 | 1 | SX1027 | Gjerløv, Anne B.; Larsen, Sine | Quininium (<i>S</i>)-Mandelate | Acta Crystallographica Section C | 1,997 | 53 | 10 | 1505 | 1508 | 10.1107/S0108270197006112 | 1.54184 | CuKα | 0.0291 | 0.027 | null | 0.0708 | 0.07 | null | null | null | 1.059 | 1.074 | 1.074 | null | null | null | has coordinates | Gjerløv, Anne B.; Larsen, Sine
Quininium (<i>S</i>)-Mandelate
Acta Crystallographica Section C
53(10)
(1997)
1505-1508 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$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/2/00/66/2006623.cif $
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2,006,624 | 9.006 | 0.002 | 6.6905 | 0.0013 | 10.963 | 0.002 | 90 | null | 97.415 | 0.014 | 90 | null | 655 | 0.2 | 158 | null | 158 | null | null | null | null | null | 3 | P 1 21 1 | P 2yb | 4 | Aloperine | (6R,7R,9R,11S)–16,17-Didehydro–9–de–2–piperidinylormosanine | - C15 H24 N2 - | - C15 H24 N2 - | - C30 H48 N4 - | 2 | 1 | SX1032 | Brosius, Arthur D.; Ziller, Joseph W.; Zhang, Qiming | Relative and Absolute Configuration of Aloperine | Acta Crystallographica Section C | 1,997 | 53 | 10 | 1510 | 1512 | 10.1107/S0108270197009244 | 0.71073 | MoKα | 0.055 | 0.0383 | null | 0.1015 | 0.0931 | null | null | null | 1.076 | 1.117 | 1.117 | null | null | null | has coordinates | Brosius, Arthur D.; Ziller, Joseph W.; Zhang, Qiming
Relative and Absolute Configuration of Aloperine
Acta Crystallographica Section C
53(10)
(1997)
1510-1512 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
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2,006,625 | 9.6442 | 0.0012 | 11.2487 | 0.0012 | 15.097 | 0.002 | 90 | null | 90 | null | 90 | null | 1,637.8 | 0.3 | 158 | null | 158 | null | null | null | null | null | 5 | P 21 21 21 | P 2ac 2ab | 19 | Aloperine dihydrochloride monohydrate | (6R,7R,9R,11S)–16,17-Didehydro–9–de–2–piperidinylormosanine dihydrochloride monohydrate | - C15 H28 Cl2 N2 O - | - C15 H28 Cl2 N2 O - | - C60 H112 Cl8 N8 O4 - | 4 | 1 | SX1032 | Brosius, Arthur D.; Ziller, Joseph W.; Zhang, Qiming | Relative and Absolute Configuration of Aloperine | Acta Crystallographica Section C | 1,997 | 53 | 10 | 1510 | 1512 | 10.1107/S0108270197009244 | 0.71073 | MoKα | 0.0371 | 0.0295 | null | 0.0727 | 0.0693 | null | null | null | 1.04 | 1.052 | 1.052 | null | null | null | has coordinates | Brosius, Arthur D.; Ziller, Joseph W.; Zhang, Qiming
Relative and Absolute Configuration of Aloperine
Acta Crystallographica Section C
53(10)
(1997)
1510-1512 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
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2,006,626 | 6.536 | 0.004 | 15.626 | 0.003 | 10.029 | 0.002 | 90 | null | 90 | null | 90 | null | 1,024.3 | 0.7 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P n m a | -P 2ac 2n | 62 | calcium yttrium silicate | tricalcium diyitrium trisilicon oxide | - Ca3 O12 Si3 Y2 - | - Ca2.998 O12 Si3 Y1.998 - | - Ca11.992 O48 Si12 Y7.992 - | 4 | 0.5 | TA1145 | Yamane, Hisanori; Nagasawa, Toru; Shimada, Masahiko; Endo, Tadashi | Ca~3~Y~2~(SiO~4~)~3~ | Acta Crystallographica Section C | 1,997 | 53 | 10 | 1367 | 1369 | 10.1107/S0108270197005593 | 0.71069 | MoKα | 0.0367 | 0.0347 | null | 0.0998 | 0.098 | null | null | null | 1.038 | 1.053 | 1.053 | null | null | null | has coordinates | Yamane, Hisanori; Nagasawa, Toru; Shimada, Masahiko; Endo, Tadashi
Ca~3~Y~2~(SiO~4~)~3~
Acta Crystallographica Section C
53(10)
(1997)
1367-1369 | 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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2,006,627 | 7.377 | 0.001 | 18.664 | 0.003 | 9.897 | 0.002 | 90 | null | 95.314 | 0.008 | 90 | null | 1,356.8 | 0.4 | 298 | 2 | 298 | 2 | null | null | null | null | 5 | P 1 21/a 1 | -P 2yab | 14 | (1α,2β,3α,6α,7β,8α,9β,13β)-9,13-dibromo-11-methyl-11-aza- 14,15-dioxa-11-pentacyclo [6.5.1.1^3,6^.0^2,7^.0^9,13^] pentadec-4-en-10,12-dione | - C13 H11 Br2 N O4 - | - C13 H11 Br2 N O4 - | - C52 H44 Br8 N4 O16 - | 4 | 1 | TA1163 | Warrener, Ronald N.; Maksimovic, L.; Kennard, Colin H. L. | (1α,2β,3α,6α,7β,8α,9β,13β)-9,13-Dibromo-11-methyl-14,15-dioxa-11-azapentacyclo[6.5.1.1^3,6^.0^2,7^.0^9,13^]pentadec-4-ene-10,12-dione | Acta Crystallographica Section C | 1,997 | 53 | 10 | 1501 | 1502 | 10.1107/S0108270197006616 | 0.71073 | MoKα | 0.116 | 0.047 | null | 0.139 | 0.11 | null | null | null | 1.025 | 1.098 | 1.098 | null | null | null | has coordinates | Warrener, Ronald N.; Maksimovic, L.; Kennard, Colin H. L.
(1α,2β,3α,6α,7β,8α,9β,13β)-9,13-Dibromo-11-methyl-14,15-dioxa-11-azapentacyclo[6.5.1.1^3,6^.0^2,7^.0^9,13^]pentadec-4-ene-10,12-dione
Acta Crystallographica Section C
53(10)
(1997)
1501-1502 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
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2,006,628 | 9.411 | 0.001 | 10.427 | 0.002 | 7.93 | 0.002 | 104.99 | 0.01 | 103.74 | 0.01 | 92.72 | 0.01 | 725.2 | 0.2 | 292 | 2 | 292 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | (3aα,10aα)11,11 Dibromo-6-methoxy-2,3,9,10-tetrahydro-1H,4H-3a,10a- methano[f]azulene' | - C16 H16 Br2 O2 - | - C16 H16 Br2 O2 - | - C32 H32 Br4 O4 - | 2 | 1 | TA1166 | Mackay, Maureen F.; Banwell, Martin G.; Phyland, James R. | A Benzannulated [5.3.1] Propellanone Related to the <i>ABC</i> Ring System of Taxol^TM^ | Acta Crystallographica Section C | 1,997 | 53 | 10 | 1497 | 1499 | 10.1107/S0108270197007531 | 1.5418 | CuKα | 0.0458 | 0.044 | null | 0.137 | 0.1327 | null | null | null | 1.081 | 1.086 | 1.086 | null | null | null | has coordinates | Mackay, Maureen F.; Banwell, Martin G.; Phyland, James R.
A Benzannulated [5.3.1] Propellanone Related to the <i>ABC</i> Ring System of Taxol^TM^
Acta Crystallographica Section C
53(10)
(1997)
1497-1499 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,006,629 | 6.474 | 0.001 | 11.393 | 0.001 | 11.862 | 0.003 | 66.16 | 0.02 | 89.2 | 0.04 | 84.92 | 0.02 | 796.9 | 0.3 | 295 | 1 | 295 | 1 | null | null | null | null | 3 | P -1 | -P 1 | 2 | cyclohexene-keto acid | 4-(1-Hydroxy-1-phenylmethylene)-3-oxo-5-phenyl-5-cyclohexene carboxylic acid | - C20 H16 O4 - | - C20 H16 O4 - | - C40 H32 O8 - | 2 | 1 | AB1478 | Mrvoš-Sermek, Draginja; Tralić-Kulenović, Vesna; Lazarević, Zvjezdana | 4-[Hydroxy(phenyl)methylene]-5-oxo-3-phenyl-2-cyclohexenecarboxylic Acid | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1709 | 1711 | 10.1107/S0108270197005465 | 0.71073 | MoKα | 0.1827 | 0.0479 | null | 0.1434 | 0.0997 | null | null | null | 0.925 | 1.105 | 1.105 | null | null | null | has coordinates | Mrvoš-Sermek, Draginja; Tralić-Kulenović, Vesna; Lazarević, Zvjezdana
4-[Hydroxy(phenyl)methylene]-5-oxo-3-phenyl-2-cyclohexenecarboxylic Acid
Acta Crystallographica Section C
53(11)
(1997)
1709-1711 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,230,159 | 9.451 | 0.0019 | 22.042 | 0.004 | 11.695 | 0.002 | 90 | null | 98.44 | 0.03 | 90 | null | 2,409.9 | 0.8 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | Bis(2-carboxybenzoato-κ<i>O</i>^1^)bis[1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-4-ium-1-yl)-1,4-dihydroquinoline-3-carboxylato-κ^2^<i>O</i>^3^,<i>O</i>^4^]manganese(II) dihydrate | - C50 H50 F2 Mn N6 O16 - | - C50 H50 F2 Mn N6 O16 - | - C100 H100 F4 Mn2 N12 O32 - | 2 | 0.5 | VM2075 | Zhang, Guang-Ju; He, Jiang-Hong; Yan, Shi-Wei; Sun, Dian-Zhen; Chen, Hai-Yan | Bis(2-carboxybenzoato-κ<i>O</i>^1^)bis[1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-4-ium-1-yl)-1,4-dihydroquinoline-3-carboxylato-κ^2^<i>O</i>^3^,<i>O</i>^4^]manganese(II) dihydrate | Acta Crystallographica Section E | 2,011 | 67 | 5 | m538 | m539 | 10.1107/S1600536811011615 | 0.71073 | MoKα | 0.0911 | 0.0508 | null | null | 0.1256 | 0.1447 | null | null | null | null | null | 1.003 | null | null | has coordinates | Zhang, Guang-Ju; He, Jiang-Hong; Yan, Shi-Wei; Sun, Dian-Zhen; Chen, Hai-Yan
Bis(2-carboxybenzoato-κ<i>O</i>^1^)bis[1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-4-ium-1-yl)-1,4-dihydroquinoline-3-carboxylato-κ^2^<i>O</i>^3^,<i>O</i>^4^]manganese(II) dihydrate
Acta Crystallographica Section E
67(5)
(2011)
m538-m539 | 301,806 | 2025-08-19 | 15:27:02 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $
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2,006,630 | 7.567 | 0.011 | 9.297 | 0.013 | 12.281 | 0.014 | 72 | 0.08 | 80.21 | 0.08 | 81.04 | 0.08 | 804.8 | 1.9 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | Ni(cdsalen) | methyl 2-{N-[2-(2-hydroyphenyl)methylidynenitrilo]ethyl}amino- 1-cyclopentenedithiocarboxilate of nickel(II) | - C16 H18 N2 Ni O S2 - | - C16 H18 N2 Ni O S2 - | - C32 H36 N4 Ni2 O2 S4 - | 2 | 1 | AB1482 | de Castro, Baltazar; Pereira, Eulalia; Gomes, Ligia | A Nickel Complex with an Asymmetric N~2~OS Schiff Base Ligand | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1572 | 1574 | 10.1107/S0108270197009219 | 0.71069 | MoKα | 0.132 | 0.0576 | null | 0.2162 | 0.1415 | null | null | null | 1.091 | 1.111 | 1.111 | null | null | null | has coordinates,has disorder | de Castro, Baltazar; Pereira, Eulalia; Gomes, Ligia
A Nickel Complex with an Asymmetric N~2~OS Schiff Base Ligand
Acta Crystallographica Section C
53(11)
(1997)
1572-1574 | 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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2,006,631 | 8.7507 | 0.0016 | 12.5722 | 0.0013 | 12.927 | 0.002 | 71.248 | 0.011 | 70.267 | 0.014 | 86.458 | 0.012 | 1,265.9 | 0.4 | 150 | null | 150 | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C30 H22 N2 O3 Pd - | - C30 H22 N2 O3 Pd - | - C60 H44 N4 O6 Pd2 - | 2 | 1 | AV1007 | Kooijman, Huub; Spek, Anthony L.; van Belzen, Ruud; Elsevier, Cornelis J. | {1,2-Bis[<i>N</i>-(4-methylphenyl)imino-<i>N</i>]acenaph-thene}(η^2^-maleic anhydride)palladium(0) | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1593 | 1596 | 10.1107/S0108270197007865 | 0.71073 | MoKα | 0.064 | 0.064 | null | 0.144 | 0.144 | null | null | null | 0.957 | 0.957 | 0.957 | null | null | null | has coordinates | Kooijman, Huub; Spek, Anthony L.; van Belzen, Ruud; Elsevier, Cornelis J.
{1,2-Bis[<i>N</i>-(4-methylphenyl)imino-<i>N</i>]acenaph-thene}(η^2^-maleic anhydride)palladium(0)
Acta Crystallographica Section C
53(11)
(1997)
1593-1596 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,006,632 | 5.995 | 0.001 | 8.726 | 0.001 | 14.535 | 0.002 | 90 | null | 90 | null | 90 | null | 760.36 | 0.19 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | Hygric acid | L-1-Methylproline | - C6 H13 N O3 - | - C6 H13 N O3 - | - C24 H52 N4 O12 - | 4 | 1 | BK1308 | Toscano, Rubén A.; Enríquez, Raúl G.; Reynolds, William F.; Magos, Gil A.; Gnecco, Dino | <small>L</small>-1-Methylproline Monohydrate | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1690 | 1692 | 10.1107/S0108270197008706 | 0.71073 | MoKα | 0.067 | 0.048 | null | 0.119 | 0.108 | null | null | null | 1.05 | 1.1 | 1.1 | null | null | null | has coordinates,has Fobs | Toscano, Rubén A.; Enríquez, Raúl G.; Reynolds, William F.; Magos, Gil A.; Gnecco, Dino
<small>L</small>-1-Methylproline Monohydrate
Acta Crystallographica Section C
53(11)
(1997)
1690-1692 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,006,633 | 6.291 | 0.002 | 8.259 | 0.002 | 18.054 | 0.003 | 96.53 | 0.01 | 91.39 | 0.02 | 112.06 | 0.02 | 861.4 | 0.4 | 140 | null | 140 | null | null | null | null | null | 2 | P -1 | -P 1 | 2 | E-2,2,5,5-Tetramethyl-3,4-diphenylhex-3-ene | - C22 H28 - | - C22 H28 - | - C44 H56 - | 2 | 1 | BK1316 | Gano, James E.; Kluwe, Constanze; Kirschbaum, Kristin; Pinkerton, A. Alan; Sekher, Padmanabhan; Skrzypczak-Jankun, Ewa; Subramaniam, Girija; Lenoir, Dieter | (<i>E</i>)-2,2,5,5-Tetramethyl-3,4-diphenylhex-3-ene, C~22~H~28~ | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1723 | 1725 | 10.1107/S0108270197007117 | 0.71073 | MoKα | 0.068 | 0.049 | null | null | 0.066 | null | null | null | null | 2.5 | 2.5 | null | null | null | has coordinates | Gano, James E.; Kluwe, Constanze; Kirschbaum, Kristin; Pinkerton, A. Alan; Sekher, Padmanabhan; Skrzypczak-Jankun, Ewa; Subramaniam, Girija; Lenoir, Dieter
(<i>E</i>)-2,2,5,5-Tetramethyl-3,4-diphenylhex-3-ene, C~22~H~28~
Acta Crystallographica Section C
53(11)
(1997)
1723-1725 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,230,158 | 7.9804 | 0.0005 | 7.9804 | 0.0005 | 16.749 | 0.001 | 90 | null | 90 | null | 90 | null | 1,066.69 | 0.11 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 43 | P 4cw | 78 | <i>N</i>-(2-Methylphenylsulfonyl)acetamide | - C9 H11 N O3 S - | - C9 H11 N O3 S - | - C36 H44 N4 O12 S4 - | 4 | 1 | TK2737 | Shakuntala, K.; Foro, Sabine; Gowda, B. Thimme | <i>N</i>-(2-Methylphenylsulfonyl)acetamide | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1188 | 10.1107/S1600536811014218 | 0.71073 | MoKα | 0.0467 | 0.0353 | null | null | 0.0802 | 0.0857 | null | null | null | null | null | 1.08 | null | null | has coordinates,has Fobs | Shakuntala, K.; Foro, Sabine; Gowda, B. Thimme
<i>N</i>-(2-Methylphenylsulfonyl)acetamide
Acta Crystallographica Section E
67(5)
(2011)
o1188 | 301,806 | 2025-08-19 | 15:27:02 | #------------------------------------------------------------------------------
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2,006,634 | 8.2725 | 0.0007 | 13.273 | 0.001 | 9.5548 | 0.0007 | 90 | null | 97.51 | 0.006 | 90 | null | 1,040.13 | 0.14 | 295 | null | null | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | 3-(4-Nitroanilino)cyclopent-2-en-1-one | - C11 H10 N2 O3 - | - C11 H10 N2 O3 - | - C44 H40 N8 O12 - | 4 | 1 | BK1319 | Huang, Kin-Shan; Stowell, Joseph G.; Byrn, Stephen R. | 3-(4-Nitroanilino)-2-cyclopenten-1-one | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1717 | 1719 | 10.1107/S0108270197007622 | 1.54184 | CuKα | null | 0.045 | null | null | 0.117 | null | null | null | null | 1.068 | 1.068 | null | null | null | has coordinates | Huang, Kin-Shan; Stowell, Joseph G.; Byrn, Stephen R.
3-(4-Nitroanilino)-2-cyclopenten-1-one
Acta Crystallographica Section C
53(11)
(1997)
1717-1719 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,006,635 | 8.309 | 0.005 | 11.42 | 0.004 | 10.766 | 0.004 | 90 | null | 95.5 | 0.4 | 90 | null | 1,016.9 | 1.1 | 148 | null | 148 | null | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | Dicarbonyl(η^5^-cyclopentadienyl)(η^1^-pyrrolyl)iron(II) | - C11 H9 Fe N O2 - | - C11 H9 Fe N O2 - | - C44 H36 Fe4 N4 O8 - | 4 | 1 | BK1322 | Powell, Madison; Bailey, Rosa D.; Eagle, Cassandra T.; Schimek, George L.; Hanks, T. W.; Pennington, William T. | Dicarbonyl(η^5^-cyclopentadienyl)(pyrrolyl-<i>N</i>)iron(II) | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1611 | 1613 | 10.1107/S0108270197008718 | 0.71073 | MoKα | 0.0592 | 0.032 | null | 0.0418 | 0.0383 | null | null | null | null | 1.12 | 1.12 | null | null | null | has coordinates | Powell, Madison; Bailey, Rosa D.; Eagle, Cassandra T.; Schimek, George L.; Hanks, T. W.; Pennington, William T.
Dicarbonyl(η^5^-cyclopentadienyl)(pyrrolyl-<i>N</i>)iron(II)
Acta Crystallographica Section C
53(11)
(1997)
1611-1613 | 176,429 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
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2,006,636 | 10.031 | 0.002 | 10.547 | 0.002 | 14.861 | 0.003 | 90 | null | 109.09 | 0.03 | 90 | null | 1,485.8 | 0.6 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | Tetraamine-cis-bis(5-nitrotetrazolato)cobalt(III) Perchlorate | tetraamine-cis-bis(5-nitro-2H-tetrazolato-N^2^)cobalt(III) perchlorate | - C2 H12 Cl Co N14 O8 - | - C2 H12 Cl Co N14 O8 - | - C8 H48 Cl4 Co4 N56 O32 - | 4 | 1 | BK1330 | Bruno Morosin; Roberto G. Dunn; Roger Assink; Thomas M. Massis; John Fronabarger; Eileen N. Duesler | The Secondary Explosive Tetraammine-<i>cis</i>-bis(5-nitro-2<i>H</i>-tetrazolato-<i>N</i>^2^)cobalt(III) Perchlorate at 293 and 213 K | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1609 | 1611 | 10.1107/S0108270197007634 | 0.71073 | MoKα | 0.057 | 0.05 | null | 0.138 | 0.1333 | null | null | null | 1.08 | 1.118 | 1.118 | null | null | null | has coordinates | Bruno Morosin; Roberto G. Dunn; Roger Assink; Thomas M. Massis; John Fronabarger; Eileen N. Duesler
The Secondary Explosive Tetraammine-<i>cis</i>-bis(5-nitro-2<i>H</i>-tetrazolato-<i>N</i>^2^)cobalt(III) Perchlorate at 293 and 213 K
Acta Crystallographica Section C
53(11)
(1997)
1609-1611 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,006,637 | 9.946 | 0.007 | 10.542 | 0.005 | 14.82 | 0.007 | 90 | null | 108.68 | 0.04 | 90 | null | 1,472 | 1.5 | 213 | 2 | 213 | 5 | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | Tetraammine-cis-bis(5-nitrotetrazolato)cobalt(III) Perchlorate | tetraammine-cis-bis(5-nitro-2H-tetrazolato-N^2^)cobalt(III) perchlorate | - C2 H12 Cl Co N14 O8 - | - C2 H12 Cl Co N14 O8 - | - C8 H48 Cl4 Co4 N56 O32 - | 4 | 1 | BK1330 | Bruno Morosin; Roberto G. Dunn; Roger Assink; Thomas M. Massis; John Fronabarger; Eileen N. Duesler | The Secondary Explosive Tetraammine-<i>cis</i>-bis(5-nitro-2<i>H</i>-tetrazolato-<i>N</i>^2^)cobalt(III) Perchlorate at 293 and 213 K | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1609 | 1611 | 10.1107/S0108270197007634 | 0.71073 | MoKα | 0.052 | 0.041 | null | 0.116 | 0.1093 | null | null | null | 1.03 | 1.094 | 1.094 | null | null | null | has coordinates | Bruno Morosin; Roberto G. Dunn; Roger Assink; Thomas M. Massis; John Fronabarger; Eileen N. Duesler
The Secondary Explosive Tetraammine-<i>cis</i>-bis(5-nitro-2<i>H</i>-tetrazolato-<i>N</i>^2^)cobalt(III) Perchlorate at 293 and 213 K
Acta Crystallographica Section C
53(11)
(1997)
1609-1611 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,230,157 | 14.0759 | 0.0006 | 7.7487 | 0.0003 | 14.2306 | 0.0005 | 90 | null | 98.978 | 0.002 | 90 | null | 1,533.11 | 0.1 | 150 | 2 | 150 | 2 | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | (<i>OC</i>-6-35)-(2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')dimethyl(3- sulfidopropionato-κ^2^<i>S</i>,<i>O</i>)platinum(IV) | - C15 H18 N2 O2 Pt S - | - C15 H18 N2 O2 Pt S - | - C60 H72 N8 O8 Pt4 S4 - | 4 | 1 | TK2735 | McCready, Matthew S.; Puddephatt, Richard J. | (<i>OC</i>-6-35)-(2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')dimethyl(3-sulfidopropionato-κ^2^<i>S</i>,<i>O</i>)platinum(IV) | Acta Crystallographica Section E | 2,011 | 67 | 5 | m604 | m605 | 10.1107/S1600536811013626 | 0.71073 | MoKα | 0.0403 | 0.0262 | null | null | 0.0447 | 0.0485 | null | null | null | null | null | 1.041 | null | null | has coordinates,has Fobs | McCready, Matthew S.; Puddephatt, Richard J.
(<i>OC</i>-6-35)-(2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')dimethyl(3-sulfidopropionato-κ^2^<i>S</i>,<i>O</i>)platinum(IV)
Acta Crystallographica Section E
67(5)
(2011)
m604-m605 | 176,798 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-21 02:03:34 +0200 (Sun, 21 Feb 2016) $
#$Revision: 176798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/01/2230157.cif $
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2,006,638 | 5.72 | 0.001 | 7.081 | 0.001 | 14.121 | 0.003 | 90 | null | 101.06 | 0.03 | 90 | null | 561.32 | 0.18 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | Cadmium thiosulfate, hydrate | - Cd H4 O5 S2 - | - Cd H4 O5 S2 - | - Cd4 H16 O20 S8 - | 4 | 1 | BK1331 | Sergio Baggio; María I. Pardo; Ricardo Baggio; Oscar González | Cadmium Thiosulfate Dihydrate | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1521 | 1523 | 10.1107/S0108270197006446 | 0.71073 | MoKα | 0.032 | 0.03 | null | 0.089 | 0.088 | null | null | null | 1.23 | 1.253 | 1.253 | null | null | null | has coordinates | Sergio Baggio; María I. Pardo; Ricardo Baggio; Oscar González
Cadmium Thiosulfate Dihydrate
Acta Crystallographica Section C
53(11)
(1997)
1521-1523 | 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/2/00/66/2006638.cif $
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2,006,639 | 8.5236 | 0.0008 | 8.9284 | 0.0007 | 9.9279 | 0.0008 | 90 | null | 98.955 | 0.007 | 90 | null | 746.32 | 0.11 | 150 | null | null | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C12 H16 Cu N6 O6 - | - C12 H16 Cu N6 O6 - | - C24 H32 Cu2 N12 O12 - | 2 | 0.5 | BM1138 | Kooijman, Huub; Spek, Anthony L.; Daniëlle Rehorst; Driessen, Willem L.; Jan Reedijk | Bis(2-aminomethylpyridine-<i>N</i>,<i>N</i>')bis(nitrato-<i>O</i>)copper(II) | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1596 | 1598 | 10.1107/S0108270197005118 | 0.71073 | MoKα | 0.028 | 0.028 | null | 0.078 | 0.078 | null | null | null | 1.032 | 1.032 | 1.032 | null | null | null | has coordinates | Kooijman, Huub; Spek, Anthony L.; Daniëlle Rehorst; Driessen, Willem L.; Jan Reedijk
Bis(2-aminomethylpyridine-<i>N</i>,<i>N</i>')bis(nitrato-<i>O</i>)copper(II)
Acta Crystallographica Section C
53(11)
(1997)
1596-1598 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,006,640 | 6.9518 | 0.0005 | 17.699 | 0.0013 | 13.5035 | 0.0011 | 90 | null | 100.52 | 0.006 | 90 | null | 1,633.5 | 0.2 | 150 | null | 150 | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | [Ni(tsalphen)] | [N,N'-Bis(2-thiobenzylidene)-1,2-phenylenediaminato]nickel(II) | - C20 H14 N2 Ni S2 - | - C20 H14 N2 Ni S2 - | - C80 H56 N8 Ni4 S8 - | 4 | 1 | BM1141 | Smeets, Wilberth J.J.; Spek, Anthony L.; Henderson, Richard K.; Bouwman, Elisabeth; Reedijk, Jan | [<i>N</i>,<i>N</i>'-Bis(2-thiobenzylidene)-1,2-phenylenediaminato]nickel(II) | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1564 | 1566 | 10.1107/S0108270197009232 | 0.71073 | MoKα | 0.038 | 0.029 | null | null | null | 0.071 | null | null | null | null | null | 1.066 | null | null | has coordinates | Smeets, Wilberth J.J.; Spek, Anthony L.; Henderson, Richard K.; Bouwman, Elisabeth; Reedijk, Jan
[<i>N</i>,<i>N</i>'-Bis(2-thiobenzylidene)-1,2-phenylenediaminato]nickel(II)
Acta Crystallographica Section C
53(11)
(1997)
1564-1566 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,006,641 | 11.056 | 0.004 | 8.34 | 0.002 | 15.5461 | 0.0012 | 90 | null | 104.829 | 0.013 | 90 | null | 1,385.7 | 0.6 | 296 | null | 296.2 | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | - C13 H14 N6 O2 - | - C13 H14 N6 O2 - | - C52 H56 N24 O8 - | 4 | 1 | BM1143 | Helliwell, Madeleine; Dinsmore, Andrew; Garner, C. David; Joule, John A. | <i>N</i>-3-Allylation of 2-(<i>N</i>,<i>N</i>-Dimethylaminomethyleneamino)-6-formylpteridin-4-one | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1667 | 1669 | 10.1107/S0108270197009116 | 0.71069 | MoKα | 0.0746 | 0.05 | null | 0.1472 | 0.1276 | null | null | null | 1.045 | 1.088 | 1.088 | null | null | null | has coordinates | Helliwell, Madeleine; Dinsmore, Andrew; Garner, C. David; Joule, John A.
<i>N</i>-3-Allylation of 2-(<i>N</i>,<i>N</i>-Dimethylaminomethyleneamino)-6-formylpteridin-4-one
Acta Crystallographica Section C
53(11)
(1997)
1667-1669 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,230,156 | 7.3672 | 0.0009 | 8.8534 | 0.0011 | 16.0632 | 0.0019 | 90 | null | 90 | null | 90 | null | 1,047.7 | 0.2 | 296 | 2 | 296 | 2 | null | null | null | null | 5 | P 21 21 21 | P 2ac 2ab | 19 | (<i>S</i>)-[5-Methyl-3-(3-methylthiophen-2-yl)-4,5-dihydroisoxazol-5-yl]methanol | - C10 H13 N O2 S - | - C10 H13 N O2 S - | - C40 H52 N4 O8 S4 - | 4 | 1 | TK2733 | Ko, Young Kwan; Ryu, Jae Wook; Koo, Dong Wan; Woo, Jae Choon; Kim, Chong-Hyeak | (<i>S</i>)-[5-Methyl-3-(3-methylthiophen-2-yl)-4,5-dihydroisoxazol-5-yl]methanol | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1040 | 10.1107/S1600536811011639 | 0.71073 | MoKα | 0.0593 | 0.0466 | null | null | 0.1385 | 0.1489 | null | null | null | null | null | 1.079 | null | null | has coordinates,has Fobs | Ko, Young Kwan; Ryu, Jae Wook; Koo, Dong Wan; Woo, Jae Choon; Kim, Chong-Hyeak
(<i>S</i>)-[5-Methyl-3-(3-methylthiophen-2-yl)-4,5-dihydroisoxazol-5-yl]methanol
Acta Crystallographica Section E
67(5)
(2011)
o1040 | 301,806 | 2025-08-19 | 15:27:02 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301806 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/01/2230156.cif $
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2,006,642 | 12.4924 | 0.0002 | 9.8064 | 0.0002 | 30.4234 | 0.0003 | 90 | null | 98.944 | 0.005 | 90 | null | 3,681.72 | 0.11 | 295 | null | null | null | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | 15 | - C19 H22 O3 Sn - | - C19 H22 O3 Sn - | - C152 H176 O24 Sn8 - | 8 | 1 | BM1153 | Tahir, M. Nawaz; Ülkü, Dinçer; Ali, Saqib; Masood, Tariq; Danish, Mohammad; Mazhar, Mohammad | (Ketoprofenato)trimethyltin(IV) | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1574 | 1576 | 10.1107/S0108270197007348 | 0.71073 | MoKα | null | 0.029 | null | null | 0.046 | null | null | null | null | 1.17 | 1.17 | null | null | null | has coordinates | Tahir, M. Nawaz; Ülkü, Dinçer; Ali, Saqib; Masood, Tariq; Danish, Mohammad; Mazhar, Mohammad
(Ketoprofenato)trimethyltin(IV)
Acta Crystallographica Section C
53(11)
(1997)
1574-1576 | 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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2,006,643 | 15.309 | 0.0007 | 10.553 | 0.0011 | 6.973 | 0.0014 | 90 | null | 90 | null | 90 | null | 1,126.5 | 0.3 | 153 | 2 | 153 | 2 | null | null | null | null | 4 | P n a 21 | P 2c -2n | 33 | - C12 H11 N3 O3 - | - C12 H11 N3 O3 - | - C48 H44 N12 O12 - | 4 | 1 | BM1160 | Lydon, Kevin M.; McKee, Vickie; McKervey, M. Anthony | 3-Diazo-1-benzyloxycarbonylpyrrolidin-2-one | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1675 | 1676 | 10.1107/S0108270197007877 | 0.71073 | MoKα | 0.031 | 0.0269 | null | 0.0715 | 0.0686 | null | null | null | 1.121 | 1.123 | 1.123 | null | null | null | has coordinates | Lydon, Kevin M.; McKee, Vickie; McKervey, M. Anthony
3-Diazo-1-benzyloxycarbonylpyrrolidin-2-one
Acta Crystallographica Section C
53(11)
(1997)
1675-1676 | 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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2,006,644 | 8.9047 | 0.0007 | 9.6102 | 0.0013 | 12.9962 | 0.0015 | 110.332 | 0.012 | 104.167 | 0.008 | 97.458 | 0.008 | 982.5 | 0.2 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | 9,10-dihydrophenanthrene | - C23 H19 Cl O4 - | - C23 H19 Cl O4 - | - C46 H38 Cl2 O8 - | 2 | 1 | Sarkhel, Sanjay; Goel, Atul; Ram, Vishnu J.; Chaudhuri, Siddhartha; Maulik, Prakas R. | Unusual Substitution of -SCH~3~ by -OH in 9,10-Dihydrophenanthrene | Acta Crystallographica Section C | 1,997 | null | 1713 | 1714 | 10.1107/S010827019700869X | null | null | 0.0646 | null | null | 0.2228 | null | null | null | null | null | null | null | null | null | has coordinates | Sarkhel, Sanjay; Goel, Atul; Ram, Vishnu J.; Chaudhuri, Siddhartha; Maulik, Prakas R.
Unusual Substitution of -SCH~3~ by -OH in 9,10-Dihydrophenanthrene
Acta Crystallographica Section C
C53
(1997)
1713-1714 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,006,645 | 17.674 | 0.003 | 17.674 | 0.003 | 12.516 | 0.003 | 90 | null | 90 | null | 120 | null | 3,385.8 | 1.1 | 298 | null | null | null | null | null | null | null | 3 | P 63 | P 6c | 173 | - Al14.4 Cr3.4 Ni1.1 - | - Al14.6873 Cr3.175 - | - Al176.248 Cr38.1 - | 12 | 2 | BR1150 | Sato, A.; Yamamoto, A.; Li, X. Z.; Hiraga, K.; Haibach, T.; Steurer, W. | A New Hexagonal κ Phase of Al‒Cr‒Ni | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1531 | 1533 | 10.1107/S0108270197003430 | 0.71073 | MoKα | null | 0.052 | null | null | 0.057 | null | null | null | null | 2.5 | 2.5 | null | null | null | has coordinates | Sato, A.; Yamamoto, A.; Li, X. Z.; Hiraga, K.; Haibach, T.; Steurer, W.
A New Hexagonal κ Phase of Al‒Cr‒Ni
Acta Crystallographica Section C
53(11)
(1997)
1531-1533 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/66/2006645.cif $
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2,006,646 | 10.8883 | 0.0004 | 6.3877 | 0.0001 | 8.4404 | 0.0003 | 90 | null | 112.448 | 0.002 | 90 | null | 542.56 | 0.03 | 300 | null | 300 | null | null | null | null | null | 4 | C 1 2/m 1 | -C 2y | 12 | Tricaesiumhydrogendiselenide | - Cs3 H O8 Se2 - | - Cs3 H O8 Se2 - | - Cs6 H2 O16 Se4 - | 2 | 0.25 | BR1168 | Sonntag, Rainer; Melzer, Rolf; Wessels, Thomas; Radaelli, Pablo G. | Cs~3~H(SeO~4~)~2~ at 300K by High-Resolution Neutron Powder Diffraction | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1529 | 1531 | 10.1107/S0108270197007749 | neutron | 1.5946 | neutron | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Sonntag, Rainer; Melzer, Rolf; Wessels, Thomas; Radaelli, Pablo G.
Cs~3~H(SeO~4~)~2~ at 300K by High-Resolution Neutron Powder Diffraction
Acta Crystallographica Section C
53(11)
(1997)
1529-1531 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,006,647 | 11.9931 | 0.0001 | 11.9931 | 0.0001 | 11.9931 | 0.0001 | 90 | null | 90 | null | 90 | null | 1,725.02 | 0.02 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 21 3 | P 2ac 2ab 3 | 198 | Hexasodium trizinc phosphate trihydrate | - H6 Na6 O19 P4 Zn3 - | - H6 Na6 O19 P4 Zn3 - | - H24 Na24 O76 P16 Zn12 - | 4 | 0.333333 | BR1187 | Xianhui Bu; Thurman E. Gier; William T. A. Harrison; Galen D. Stucky | A Cubic Hydrated Sodium Zinc Phosphate with a Tetrahedral-Triangular Framework Topology, Na~6~Zn~3~(PO~4~)~4~.3H~2~O | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1517 | 1519 | 10.1107/S0108270197007889 | 0.71073 | MoKα | 0.0209 | 0.0201 | null | 0.0466 | 0.0463 | null | null | null | 1.016 | 1.017 | 1.017 | null | null | null | has coordinates | Xianhui Bu; Thurman E. Gier; William T. A. Harrison; Galen D. Stucky
A Cubic Hydrated Sodium Zinc Phosphate with a Tetrahedral-Triangular Framework Topology, Na~6~Zn~3~(PO~4~)~4~.3H~2~O
Acta Crystallographica Section C
53(11)
(1997)
1517-1519 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/66/2006647.cif $
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2,230,155 | 11.0527 | 0.0003 | 11.687 | 0.0003 | 12.2752 | 0.0003 | 102.104 | 0.002 | 93.012 | 0.002 | 95.929 | 0.002 | 1,537.58 | 0.07 | 296 | 2 | 296 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | <i>N</i>,<i>N</i>-Diethyl-4-[9-methoxy-6-(4-methoxyphenyl)-5-methyl-2-phenyl- 2<i>H</i>-benzo[<i>h</i>]chromene-2-yl]aniline | - C38 H37 N O3 - | - C38 H37 N O3 - | - C76 H74 N2 O6 - | 2 | 1 | TK2732 | Kim, Moon-Hwan; Park, Hee-Moon; Kim, Chong-Hyeak | <i>N</i>,<i>N</i>-Diethyl-4-[9-methoxy-6-(4-methoxyphenyl)-5-methyl-2-phenyl-2<i>H</i>-benzo[<i>h</i>]chromen-2-yl]aniline | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1067 | o1068 | 10.1107/S1600536811011925 | 0.71073 | MoKα | 0.2359 | 0.064 | null | null | 0.1252 | 0.1806 | null | null | null | null | null | 0.915 | null | null | has coordinates,has Fobs | Kim, Moon-Hwan; Park, Hee-Moon; Kim, Chong-Hyeak
<i>N</i>,<i>N</i>-Diethyl-4-[9-methoxy-6-(4-methoxyphenyl)-5-methyl-2-phenyl-2<i>H</i>-benzo[<i>h</i>]chromen-2-yl]aniline
Acta Crystallographica Section E
67(5)
(2011)
o1067-o1068 | 301,806 | 2025-08-19 | 15:27:02 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301806 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/01/2230155.cif $
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2,006,648 | 3.9241 | 0.0003 | 13.0404 | 0.0008 | 12.4181 | 0.0005 | 90 | null | 92.21 | 0.01 | 90 | null | 634.98 | 0.07 | 295 | null | 295 | null | null | null | null | null | 5 | P 1 n 1 | null | - C13 H12 Cl N O3 - | - C13 H12 Cl N O3 - | - C26 H24 Cl2 N2 O6 - | 2 | 1 | BS1020 | Moreno-Fuquen, Rodolfo; Grajales-Tamayo, Mario; Gambardella, Maria Teresa do Prado | The 1:1 Complex Formed by 2-Picoline <i>N</i>-Oxide and 3-Chlorobenzoic Acid | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1635 | 1637 | 10.1107/S0108270197007130 | 0.71073 | MoKα | 0.0346 | 0.0293 | null | 0.1175 | 0.1057 | null | null | null | 1.067 | 1.006 | 1.006 | null | null | null | has coordinates | Moreno-Fuquen, Rodolfo; Grajales-Tamayo, Mario; Gambardella, Maria Teresa do Prado
The 1:1 Complex Formed by 2-Picoline <i>N</i>-Oxide and 3-Chlorobenzoic Acid
Acta Crystallographica Section C
53(11)
(1997)
1635-1637 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$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/2/00/66/2006648.cif $
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2,006,649 | 9.156 | 0.003 | 9.509 | 0.002 | 8.701 | 0.002 | 99.41 | 0.02 | 116.03 | 0.02 | 73.95 | 0.02 | 653.4 | 0.3 | 293 | 2 | 293 | null | null | null | null | null | 3 | P -1 | -P 1 | 2 | - C28 H46 Ru - | - C32 H32 Ru - | - C32 H32 Ru - | 1 | 0.5 | BS1021 | Overby, Jason S.; Farrar, John M.; Hanusa, Timothy P. | Bis(η^5^-1,2,4-triisopropylcyclopentadienyl)ruthenium | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1605 | 1606 | 10.1107/S0108270197007014 | 1.5418 | CuKα | null | 0.035 | null | null | 0.0462 | null | null | null | null | 2.046 | 2.046 | null | null | null | has coordinates | Overby, Jason S.; Farrar, John M.; Hanusa, Timothy P.
Bis(η^5^-1,2,4-triisopropylcyclopentadienyl)ruthenium
Acta Crystallographica Section C
53(11)
(1997)
1605-1606 | 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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2,006,650 | 10.016 | 0.004 | 9.185 | 0.004 | 9.105 | 0.004 | 102.68 | 0.04 | 116.9 | 0.05 | 84.62 | 0.03 | 728.8 | 0.6 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P -1 | -P 1 | 2 | 1,8a-dihydroazulene | 1,1-dicyano-2-p-cyanophenyl-1,8a-dihydroazulene | - C19 H11 N3 - | - C19 H11 N3 - | - C38 H22 N6 - | 2 | 1 | BS1031 | Kaftory, Menahem; Botoshansky, Mark; Daub, Jörg; Christian Fischer; Alexander Bross | 2-<i>p</i>-Cyanophenyl-1,8a-dihydroazulene-1,1-dicarbonitrile and Methyl 1-Cyano-2-<i>p</i>-cyanophenyl-1,8a-dihydroazulene-1-carboxylate | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1665 | 1667 | 10.1107/S0108270197009499 | 0.71069 | MoKα | 0.0738 | 0.0506 | null | 0.1356 | 0.1201 | null | null | null | 1.085 | 1.154 | 1.154 | null | null | null | has coordinates | Kaftory, Menahem; Botoshansky, Mark; Daub, Jörg; Christian Fischer; Alexander Bross
2-<i>p</i>-Cyanophenyl-1,8a-dihydroazulene-1,1-dicarbonitrile and Methyl 1-Cyano-2-<i>p</i>-cyanophenyl-1,8a-dihydroazulene-1-carboxylate
Acta Crystallographica Section C
53(11)
(1997)
1665-1667 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,230,154 | 11.4851 | 0.0004 | 11.3194 | 0.0004 | 13.06 | 0.0004 | 90 | null | 101.475 | 0.002 | 90 | null | 1,663.92 | 0.1 | 296 | 2 | 296 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | 3-(4-Chlorophenylsulfonyl)-5-isopropyl-2-methyl-1-benzofuran | - C18 H17 Cl O3 S - | - C18 H17 Cl O3 S - | - C72 H68 Cl4 O12 S4 - | 4 | 1 | SU2271 | Choi, Hong Dae; Seo, Pil Ja; Lee, Uk | 3-(4-Chlorophenylsulfonyl)-5-isopropyl-2-methyl-1-benzofuran | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1226 | 10.1107/S1600536811014784 | 0.71073 | MoKα | 0.0501 | 0.0434 | null | null | 0.1154 | 0.1203 | null | null | null | null | null | 1.077 | null | null | has coordinates,has Fobs | Choi, Hong Dae; Seo, Pil Ja; Lee, Uk
3-(4-Chlorophenylsulfonyl)-5-isopropyl-2-methyl-1-benzofuran
Acta Crystallographica Section E
67(5)
(2011)
o1226 | 301,806 | 2025-08-19 | 15:27:02 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301806 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/01/2230154.cif $
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2,006,651 | 17.965 | 0.002 | 13.649 | 0.002 | 16.987 | 0.002 | 90 | null | 129.514 | 0.005 | 90 | null | 3,213.4 | 0.7 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | 15 | 1,8a-dihydroazulene | 1-cyano,1-methoxycarbonyl-2-p-cyanophenyl-1,8a-dihydroazulene | - C20 H14 N2 O2 - | - C20 H14 N2 O2 - | - C160 H112 N16 O16 - | 8 | 1 | BS1031 | Kaftory, Menahem; Botoshansky, Mark; Daub, Jörg; Christian Fischer; Alexander Bross | 2-<i>p</i>-Cyanophenyl-1,8a-dihydroazulene-1,1-dicarbonitrile and Methyl 1-Cyano-2-<i>p</i>-cyanophenyl-1,8a-dihydroazulene-1-carboxylate | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1665 | 1667 | 10.1107/S0108270197009499 | 1.54178 | CuKα | 0.0607 | 0.0378 | null | 0.1192 | 0.1112 | null | null | null | 1.099 | 1.19 | 1.19 | null | null | null | has coordinates | Kaftory, Menahem; Botoshansky, Mark; Daub, Jörg; Christian Fischer; Alexander Bross
2-<i>p</i>-Cyanophenyl-1,8a-dihydroazulene-1,1-dicarbonitrile and Methyl 1-Cyano-2-<i>p</i>-cyanophenyl-1,8a-dihydroazulene-1-carboxylate
Acta Crystallographica Section C
53(11)
(1997)
1665-1667 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$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/2/00/66/2006651.cif $
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2,006,652 | 17.366 | 0.003 | 8.196 | 0.002 | 20.999 | 0.004 | 90 | null | 90 | null | 90 | null | 2,988.8 | 1.1 | 291 | 2 | 291 | 2 | null | null | null | null | 4 | P b c n | -P 2n 2ab | 60 | - C16 H18 N4 O2 - | - C16 H18 N4 O2 - | - C128 H144 N32 O16 - | 8 | 1 | BS1041 | De-Chun Zhang; Zheng-Hao Fei; Tian-Zhu Zhang; Yan-Qiu Zhang; Kai-Bei Yu | 2-Nitro-4'-(<i>N</i>,<i>N</i>-diethylamino)azobenzene, C~16~H~18~N~4~O~2~ | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1647 | 1648 | 10.1107/S0108270197009517 | 0.71073 | MoKα | 0.0631 | 0.0334 | null | 0.0751 | 0.0694 | null | null | null | 0.875 | 1.078 | 1.078 | null | null | null | has coordinates | De-Chun Zhang; Zheng-Hao Fei; Tian-Zhu Zhang; Yan-Qiu Zhang; Kai-Bei Yu
2-Nitro-4'-(<i>N</i>,<i>N</i>-diethylamino)azobenzene, C~16~H~18~N~4~O~2~
Acta Crystallographica Section C
53(11)
(1997)
1647-1648 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$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/2/00/66/2006652.cif $
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2,006,653 | 8.704 | 0.001 | 9.116 | 0.001 | 12.968 | 0.002 | 84.69 | 0.01 | 76.63 | 0.01 | 80.35 | null | 985.3 | 0.2 | 295 | 2 | 295 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | 1-Methyl-4-(2-(2-hydroxy phenyl)vinyl) pyridium 4-tolylsulfonate hydrate Dimer: C14 H14 O2 N2^2+^.(C7 H7 S O3^-^)2. 2(H2 O) | - C42 H46 N2 O10 S2 - | - C42 H46 N2 O10 S2 - | - C42 H46 N2 O10 S2 - | 1 | 0.5 | CF1158 | Zhang, De-Chun; Zhang, Tian-Zhu; Zhang, Yan-Qiu; Fei, Zheng-Hao; Yu, Kai-bei | The Hydrated Tosylate of Dimeric 2'-Hydroxy-4-<i>N</i>-methylstilbazolium | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1649 | 1650 | 10.1107/S0108270197008469 | 0.71073 | MoKα | 0.0557 | 0.0378 | null | 0.1124 | 0.0975 | null | null | null | 0.981 | 1.1 | 1.1 | null | null | null | has coordinates | Zhang, De-Chun; Zhang, Tian-Zhu; Zhang, Yan-Qiu; Fei, Zheng-Hao; Yu, Kai-bei
The Hydrated Tosylate of Dimeric 2'-Hydroxy-4-<i>N</i>-methylstilbazolium
Acta Crystallographica Section C
53(11)
(1997)
1649-1650 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$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/2/00/66/2006653.cif $
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2,230,153 | 5.7621 | 0.0009 | 15.25 | 0.003 | 16.64 | 0.003 | 90 | null | 105.023 | 0.005 | 90 | null | 1,412.2 | 0.4 | 296 | 2 | 296 | 2 | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | 3,4-Bis(2-pyridyl)-5-(3-pyridyl)-4<i>H</i>-1,2,4-triazole | - C17 H12 N6 - | - C17 H12 N6 - | - C68 H48 N24 - | 4 | 1 | SU2269 | Wu, Jing-Min; Guo, Wei; Li, Cheng-Peng | 3,4-Bis(2-pyridyl)-5-(3-pyridyl)-4<i>H</i>-1,2,4-triazole | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1189 | 10.1107/S1600536811014140 | 0.71073 | MoKα | 0.112 | 0.0499 | null | null | 0.1044 | 0.1289 | null | null | null | null | null | 1.08 | null | null | has coordinates,has Fobs | Wu, Jing-Min; Guo, Wei; Li, Cheng-Peng
3,4-Bis(2-pyridyl)-5-(3-pyridyl)-4<i>H</i>-1,2,4-triazole
Acta Crystallographica Section E
67(5)
(2011)
o1189 | 301,806 | 2025-08-19 | 15:27:02 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301806 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/01/2230153.cif $
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2,006,654 | 8.612 | 0.002 | 11.658 | 0.003 | 11.914 | 0.002 | 79.72 | 0.02 | 85.97 | 0.02 | 76.73 | 0.02 | 1,145 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | 2,6-Diamino-9-(carboxymethyl)purine Ethyl Ester | - C9 H13 N6 O2.5 - | - C9 H13 N6 O2.5 - | - C36 H52 N24 O10 - | 4 | 2 | CF1160 | Sood, Geeta; Schwalbe, Carl H.; Fraser, William | 2,6-Diamino-9-(carboxymethyl)purine Ethyl Ester | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1624 | 1626 | 10.1107/S0108270197006598 | 1.54178 | CuKα | 0.0452 | 0.0428 | null | 0.1428 | 0.1192 | null | null | null | 1.096 | 1.114 | 1.114 | null | null | null | has coordinates,has disorder | Sood, Geeta; Schwalbe, Carl H.; Fraser, William
2,6-Diamino-9-(carboxymethyl)purine Ethyl Ester
Acta Crystallographica Section C
53(11)
(1997)
1624-1626 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$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/2/00/66/2006654.cif $
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2,006,655 | 7.7208 | 0.0009 | 7.7501 | 0.0009 | 9.0531 | 0.001 | 90 | null | 94.818 | 0.01 | 90 | null | 539.8 | 0.11 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21 1 | P 2yb | 4 | (+)-Camphorsulfonimine | - C10 H15 N O2 S - | - C10 H15 N O2 S - | - C20 H30 N2 O4 S2 - | 2 | 1 | CF1189 | Arindam Chakraborty; Jayanta Kumar Ray; Kandasamy Chinnakali; Ibrahim Abdul Razak; Hoong-Kun Fun | (+)-Camphorsulfonylimine | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1725 | 1726 | 10.1107/S010827019701144X | 0.71073 | MoKα | 0.0569 | 0.0397 | null | 0.0949 | 0.0895 | null | null | null | 0.905 | 0.997 | 0.997 | null | null | null | has coordinates | Arindam Chakraborty; Jayanta Kumar Ray; Kandasamy Chinnakali; Ibrahim Abdul Razak; Hoong-Kun Fun
(+)-Camphorsulfonylimine
Acta Crystallographica Section C
53(11)
(1997)
1725-1726 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$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/2/00/66/2006655.cif $
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2,006,656 | 6.892 | 0.003 | 19.706 | 0.005 | 11.842 | 0.002 | 90 | null | 94.24 | 0.02 | 90 | null | 1,603.9 | 0.9 | 200 | 2 | 200 | 2 | null | null | null | null | 7 | P 1 21/c 1 | -P 2ybc | 14 | bis(acetonitrile)tetrakis(N,N-dimethylacetamide)nickel(II) tetrafluoroborate | - C20 H42 B2 F8 N6 Ni O4 - | - C20 H42 B2 F8 N6 Ni O4 - | - C40 H84 B4 F16 N12 Ni2 O8 - | 2 | 0.5 | DE1060 | Suzuki, Honoh; Ishiguro, Shin-ichi | Steric Hindrance in a Mixed Solvated Nickel(II) Complex: Bis(acetonitrile-<i>N</i>)tetrakis(<i>N</i>,<i>N</i>-dimethylacetamide-<i>O</i>)nickel(II) Bis(tetrafluoroborate) | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1602 | 1605 | 10.1107/S0108270197009463 | 0.71073 | MoKα | 0.0984 | 0.0614 | null | 0.1825 | 0.1453 | null | null | null | 1.152 | 1.116 | 1.116 | null | null | null | has coordinates,has disorder | Suzuki, Honoh; Ishiguro, Shin-ichi
Steric Hindrance in a Mixed Solvated Nickel(II) Complex: Bis(acetonitrile-<i>N</i>)tetrakis(<i>N</i>,<i>N</i>-dimethylacetamide-<i>O</i>)nickel(II) Bis(tetrafluoroborate)
Acta Crystallographica Section C
53(11)
(1997)
1602-1605 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$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/2/00/66/2006656.cif $
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2,006,657 | 9.072 | 0.002 | 26.855 | 0.008 | 8.135 | 0.002 | 97.419 | 0.006 | 110.8 | 0.02 | 83.564 | 0.013 | 1,832.5 | 0.8 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | n-butyl alpha-cyano-4-[2-(4-pyridyl)ethenyl]cinnamate | - C21 H20 N2 O2 - | - C21 H20 N2 O2 - | - C84 H80 N8 O8 - | 4 | 2 | DE1061 | Ohhara, Takashi; Hidehiro Uekusa; Yuji Ohashi; Shigehito Kondo; Masaki Hasegawa | <i>n</i>-Butyl α-Cyano-4-[2-(4-pyridyl)ethenyl]cinnamate | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1692 | 1694 | 10.1107/S0108270197009475 | 0.7107 | MoKα | 0.1211 | 0.0506 | null | 0.156 | 0.1133 | null | null | null | 1 | 1.111 | 1.111 | null | null | null | has coordinates,has disorder | Ohhara, Takashi; Hidehiro Uekusa; Yuji Ohashi; Shigehito Kondo; Masaki Hasegawa
<i>n</i>-Butyl α-Cyano-4-[2-(4-pyridyl)ethenyl]cinnamate
Acta Crystallographica Section C
53(11)
(1997)
1692-1694 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$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/2/00/66/2006657.cif $
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2,006,658 | 5.339 | 0.001 | 9.923 | 0.001 | 4.488 | 0.001 | 90 | null | 97.45 | 0.02 | 90 | null | 235.76 | 0.07 | 293 | null | null | null | null | null | null | null | 3 | P 1 21/a 1 | -P 2yab | 14 | Diphosphate synthétique de Cobalt: Co~2~P~2~O~7~ | - Co2 O7 P2 - | - Co2 O7 P2 - | - Co4 O14 P4 - | 2 | 0.5 | DU1177 | Kobashi, Dilshat; Kohara, Shizuo; Yamakawa, Junji; Kawahara, Akira | Structure d'un Diphosphate Synthétique de Cobalt: Co~2~P~2~O~7~ | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1523 | 1525 | 10.1107/S0108270197006689 | 0.71069 | MoKα | null | 0.04 | null | null | null | 0.052 | null | null | null | 1.31 | 1.31 | null | null | null | has coordinates | Kobashi, Dilshat; Kohara, Shizuo; Yamakawa, Junji; Kawahara, Akira
Structure d'un Diphosphate Synthétique de Cobalt: Co~2~P~2~O~7~
Acta Crystallographica Section C
53(11)
(1997)
1523-1525 | 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/2/00/66/2006658.cif $
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2,006,659 | 9.4881 | 0.001 | 10.3231 | 0.0011 | 16.3226 | 0.0011 | 90 | null | 90.423 | 0.006 | 90 | null | 1,598.7 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | - C12 H50 Ga2 N8 O20 P4 - | - C12 H42 Ga2 N8 O20 P4 - | - C24 H84 Ga4 N16 O40 P8 - | 2 | 0.5 | DU1179 | Serpaggi, Fabien; Loiseau, Thierry; Férey, Gérard | A New Gallium Phosphate Templated by Tris(2-aminoethyl)amine: [Ga(HPO~4~)(PO~4~)(OH)].[(C~2~H~7~ N)~3~N].H~2~O | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1568 | 1570 | 10.1107/S0108270197006458 | 0.71069 | MoKα | 0.078 | 0.042 | null | 0.133 | 0.12 | null | null | null | 0.955 | 1.056 | 1.056 | null | null | null | has coordinates | Serpaggi, Fabien; Loiseau, Thierry; Férey, Gérard
A New Gallium Phosphate Templated by Tris(2-aminoethyl)amine: [Ga(HPO~4~)(PO~4~)(OH)].[(C~2~H~7~ N)~3~N].H~2~O
Acta Crystallographica Section C
53(11)
(1997)
1568-1570 | 219,800 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2019-10-28 09:23:29 +0200 (Mon, 28 Oct 2019) $
#$Revision: 219800 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/66/2006659.cif $
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2,230,152 | 8.4292 | 0.0002 | 11.9399 | 0.0003 | 18.1716 | 0.0004 | 90 | null | 98.685 | 0.003 | 90 | null | 1,807.89 | 0.08 | 100 | 2 | 100 | 2 | null | null | null | null | 5 | P 1 21 1 | P 2yb | 4 | Diaquabis(<i>N</i>,<i>N</i>-diethylnicotinamide-κ<i>N</i>^1^)bis(4- ethylbenzoato-κ<i>O</i>)cobalt(II) | - C38 H50 Co N4 O8 - | - C38 H50 Co N4 O8 - | - C76 H100 Co2 N8 O16 - | 2 | 1 | SU2268 | Necefoğlu, Hacali; Maracı, Ali; Özbek, Füreya Elif; Tercan, Barış; Hökelek, Tuncer | Diaquabis(<i>N</i>,<i>N</i>-diethylnicotinamide-κ<i>N</i>^1^)bis(4-ethylbenzoato-κ<i>O</i>)cobalt(II) | Acta Crystallographica Section E | 2,011 | 67 | 5 | m619 | m620 | 10.1107/S1600536811014188 | 0.71073 | MoKα | 0.0622 | 0.0444 | null | null | 0.0888 | 0.0946 | null | null | null | null | null | 1.022 | null | null | has coordinates,has Fobs | Necefoğlu, Hacali; Maracı, Ali; Özbek, Füreya Elif; Tercan, Barış; Hökelek, Tuncer
Diaquabis(<i>N</i>,<i>N</i>-diethylnicotinamide-κ<i>N</i>^1^)bis(4-ethylbenzoato-κ<i>O</i>)cobalt(II)
Acta Crystallographica Section E
67(5)
(2011)
m619-m620 | 301,806 | 2025-08-19 | 15:27:02 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $
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2,006,660 | 11.667 | 0.002 | 7.182 | 0.004 | 14.337 | 0.003 | 90 | null | 97.61 | 0.02 | 90 | null | 1,190.8 | 0.7 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 1 21 1 | P 2yb | 4 | (25R)-5β-hydroxy-spirost-2-en-6-one | - C27 H40 O4 - | - C27 H40 O4 - | - C54 H80 O8 - | 2 | 1 | FG1242 | Angel Dago Morales; Ramón Pomés Hernández; Francisco Coll Manchado; María Teresa Hechavarría Fonseca; Graciela Punte; Gustavo Echeverría | (25<i>R</i>)-5β-Hydroxyspirost-2-en-6-one | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1705 | 1706 | 10.1107/S0108270197006501 | 0.71069 | MoKα | 0.2286 | 0.0703 | null | 0.3332 | 0.1754 | null | null | null | 0.986 | 0.901 | 0.901 | null | null | null | has coordinates | Angel Dago Morales; Ramón Pomés Hernández; Francisco Coll Manchado; María Teresa Hechavarría Fonseca; Graciela Punte; Gustavo Echeverría
(25<i>R</i>)-5β-Hydroxyspirost-2-en-6-one
Acta Crystallographica Section C
53(11)
(1997)
1705-1706 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$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/2/00/66/2006660.cif $
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2,006,661 | 6.393 | 0.002 | 7.433 | 0.001 | 21.067 | 0.003 | 90 | null | 90.97 | 0.02 | 90 | null | 1,000.9 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | trans-Dichlorocyclamcobalt(III) chloride, tetrahydrate, 0.47(HCl) | trans-Dichloro-(1,4,8,11-tetraazacyclotetradecane)cobalt(III) chloride, tetrahydrate, 0.47 HCl | - C10 H32.47 Cl3.47 Co N4 O4 - | - C10 H32.44 Cl3.468 Co N4 O4 - | - C20 H64.88 Cl6.936 Co2 N8 O8 - | 2 | 0.5 | FG1254 | Sosa-Torres, Martha E.; Toscano, Rubén A. | <i>trans</i>-Dichloro(1,4,8,11-tetrazacyclotetradecane)cobalt(III) Chloride Tetrahydrate 0.47-Hydrochloride | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1585 | 1588 | 10.1107/S0108270197007440 | 0.71069 | MoKα | 0.0586 | 0.0413 | null | 0.1101 | 0.0948 | null | null | null | 1.072 | 1.098 | 1.098 | null | null | null | has coordinates | Sosa-Torres, Martha E.; Toscano, Rubén A.
<i>trans</i>-Dichloro(1,4,8,11-tetrazacyclotetradecane)cobalt(III) Chloride Tetrahydrate 0.47-Hydrochloride
Acta Crystallographica Section C
53(11)
(1997)
1585-1588 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,006,662 | 9.724 | 0.001 | 11.055 | 0.001 | 16.361 | 0.002 | 79.79 | 0.01 | 79.19 | 0.01 | 73.7 | 0.01 | 1,643.6 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C32 H30 Cl2 N10 Ni - | - C32 H30 Cl2 N10 Ni - | - C64 H60 Cl4 N20 Ni2 - | 2 | 1 | FG1270 | Thangarasu, Pandiyan; Bernès, Sylvain; Durán de Bazúa, Carmen | Bis[bis(benzimidazol-2-ylmethyl-<i>N</i>^3^)amine-<i>N</i>]nickel(II) Dichloride | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1607 | 1609 | 10.1107/S0108270197006513 | 0.71073 | MoKα | 0.1083 | 0.0547 | null | 0.1305 | 0.1042 | null | null | null | 1.072 | 1.12 | 1.12 | null | null | null | has coordinates | Thangarasu, Pandiyan; Bernès, Sylvain; Durán de Bazúa, Carmen
Bis[bis(benzimidazol-2-ylmethyl-<i>N</i>^3^)amine-<i>N</i>]nickel(II) Dichloride
Acta Crystallographica Section C
53(11)
(1997)
1607-1609 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,006,663 | 23.756 | 0.002 | 6.9151 | 0.0005 | 28.381 | 0.002 | 90 | null | 95.457 | 0.006 | 90 | null | 4,641.2 | 0.6 | 293 | null | 293 | null | null | null | null | null | 3 | A 1 2/a 1 | -A 2ya | 15 | - C24 H32 O7 - | - C24 H32 O7 - | - C192 H256 O56 - | 8 | 1 | FG1287 | Drouin, Marc; Couturier, Michel; Pierre Deslongchamps | Diastereoselectivity in the Transannular Diels–Alder Reaction of a <i>trans</i>-<i>trans</i>-<i>trans</i> 14-Membered Macrocycle Leading to Steroids | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1698 | 1701 | 10.1107/S0108270197009578 | 1.54184 | CopperKα | 0.096 | 0.06 | null | 0.1764 | 0.1571 | null | null | null | 1.071 | 1.255 | 1.255 | null | null | null | has coordinates,has disorder | Drouin, Marc; Couturier, Michel; Pierre Deslongchamps
Diastereoselectivity in the Transannular Diels–Alder Reaction of a <i>trans</i>-<i>trans</i>-<i>trans</i> 14-Membered Macrocycle Leading to Steroids
Acta Crystallographica Section C
53(11)
(1997)
1698-1701 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,230,151 | 6.7605 | 0.0008 | 7.2626 | 0.0011 | 28.461 | 0.002 | 90 | null | 96.083 | 0.001 | 90 | null | 1,389.5 | 0.3 | 298 | 2 | 298 | 2 | null | null | null | null | 3 | P 1 21 1 | P 2yb | 4 | (22<i>E</i>,24<i>R</i>)-3β,5α,9α-Trihydroxyergosta-7,22-dien-6-one monohydrate | - C28 H46 O5 - | - C28 H46 O5 - | - C56 H92 O10 - | 2 | 1 | SU2267 | Xu, Zhi-Hong; Peng, Xiao-Ping; Wang, Yi; Zhu, Wei-Ming | (22<i>E</i>,24<i>R</i>)-3β,5α,9α-Trihydroxyergosta-7,22-dien-6-one monohydrate | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1141 | o1142 | 10.1107/S160053681101347X | 0.71073 | MoKα | 0.0894 | 0.0512 | null | null | 0.0992 | 0.1077 | null | null | null | null | null | 1.018 | null | null | has coordinates,has Fobs | Xu, Zhi-Hong; Peng, Xiao-Ping; Wang, Yi; Zhu, Wei-Ming
(22<i>E</i>,24<i>R</i>)-3β,5α,9α-Trihydroxyergosta-7,22-dien-6-one monohydrate
Acta Crystallographica Section E
67(5)
(2011)
o1141-o1142 | 301,806 | 2025-08-19 | 15:27:02 | #------------------------------------------------------------------------------
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2,006,664 | 7.278 | 0.004 | 12.199 | 0.002 | 24.494 | 0.007 | 90 | null | 91.89 | 0.03 | 90 | null | 2,173.5 | 1.4 | 293 | 2 | 193 | null | null | null | null | null | 3 | P 1 21 1 | P 2yb | 4 | rac-3,3-bis(carbomethoxy)-18-methoxy-18-oxo-5β,9β,10α-androst-6-en-17-one | - C24 H32 O7 - | - C24 H32 O7 - | - C96 H128 O28 - | 4 | 2 | FG1287 | Drouin, Marc; Couturier, Michel; Pierre Deslongchamps | Diastereoselectivity in the Transannular Diels‒Alder Reaction of a <i>trans</i>-<i>trans</i>-<i>trans</i> 14-Membered Macrocycle Leading to Steroids | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1698 | 1701 | 10.1107/S0108270197009578 | 1.54184 | CopperKα | 0.0626 | 0.0599 | null | 0.179 | 0.1749 | null | null | null | 1.062 | 1.068 | 1.068 | null | null | null | has coordinates,has disorder | Drouin, Marc; Couturier, Michel; Pierre Deslongchamps
Diastereoselectivity in the Transannular Diels‒Alder Reaction of a <i>trans</i>-<i>trans</i>-<i>trans</i> 14-Membered Macrocycle Leading to Steroids
Acta Crystallographica Section C
53(11)
(1997)
1698-1701 | 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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2,006,665 | 10.158 | 0.0002 | 10.158 | 0.0002 | 39.7543 | 0.0005 | 90 | null | 90 | null | 90 | null | 4,102.05 | 0.13 | 180 | null | 180 | null | null | null | null | null | 6 | P 41 | P 4w | 76 | - C48 H44 B F4 P2 Rh - | - C48 H44 B F4 P2 Rh - | - C192 H176 B4 F16 P8 Rh4 - | 4 | 1 | FG1294 | Fu, Tai Y.; Liu, Zhaoqing; Rettig, Steven J.; Scheffer, John R.; Trotter, James | [(1,2,5,6-η)-1,5-Cyclooctadiene][(11<i>R</i>,12<i>R</i>)-9,10-dihydro-9,10-ethanoanthracene-11,12-bis(diphenylphosphino-<i>P</i>)]rhodium(I) Tetrafluoroborate | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1577 | 1579 | 10.1107/S0108270197005271 | 0.7107 | MoKα | 0.08 | 0.043 | null | 0.086 | null | 0.086 | null | null | 2.51 | null | null | 2.51 | null | null | has coordinates | Fu, Tai Y.; Liu, Zhaoqing; Rettig, Steven J.; Scheffer, John R.; Trotter, James
[(1,2,5,6-η)-1,5-Cyclooctadiene][(11<i>R</i>,12<i>R</i>)-9,10-dihydro-9,10-ethanoanthracene-11,12-bis(diphenylphosphino-<i>P</i>)]rhodium(I) Tetrafluoroborate
Acta Crystallographica Section C
53(11)
(1997)
1577-1579 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,006,666 | 13.6819 | 0.0009 | 7.2379 | 0.0003 | 14.0407 | 0.0007 | 90 | null | 111 | 0.01 | 90 | null | 1,298.07 | 0.15 | 295 | null | null | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | - C14 H15 N O3 - | - C14 H15 N O3 - | - C56 H60 N4 O12 - | 4 | 1 | FG1302 | Moreno-Fuquen, Rodolfo; De Almeida Santos, Regina Helena; Gambardella, Maria Teresa do Prado | The 1:1 Complex Formed by 3-Picoline <i>N</i>-Oxide and <i>p</i>-Toluic Acid | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1634 | 1635 | 10.1107/S0108270197007890 | 0.71073 | MoKα | 0.0761 | 0.046 | null | 0.1688 | 0.1324 | null | null | null | 1.121 | 1.067 | 1.067 | null | null | null | has coordinates | Moreno-Fuquen, Rodolfo; De Almeida Santos, Regina Helena; Gambardella, Maria Teresa do Prado
The 1:1 Complex Formed by 3-Picoline <i>N</i>-Oxide and <i>p</i>-Toluic Acid
Acta Crystallographica Section C
53(11)
(1997)
1634-1635 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
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2,230,150 | 6.0863 | 0.0002 | 20.0855 | 0.0007 | 17.3819 | 0.0007 | 90 | null | 97.419 | 0.004 | 90 | null | 2,107.09 | 0.13 | 123 | 2 | 123 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | 3-(4-Chlorophenoxy)-1-(4-methoxyphenyl)-4-(4-nitrophenyl)azetidin-2-one | - C22 H17 Cl N2 O5 - | - C22 H17 Cl N2 O5 - | - C88 H68 Cl4 N8 O20 - | 4 | 1 | SU2266 | Butcher, Ray J.; Akkurt, Mehmet; Jarrahpour, Aliasghar; Badrabady, Seid Ali Torabi | 3-(4-Chlorophenoxy)-1-(4-methoxyphenyl)-4-(4-nitrophenyl)azetidin-2-one | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1101 | o1102 | 10.1107/S1600536811013018 | 0.71073 | MoKα | 0.1088 | 0.0743 | null | null | 0.1723 | 0.1903 | null | null | null | null | null | 1.077 | null | null | has coordinates,has Fobs | Butcher, Ray J.; Akkurt, Mehmet; Jarrahpour, Aliasghar; Badrabady, Seid Ali Torabi
3-(4-Chlorophenoxy)-1-(4-methoxyphenyl)-4-(4-nitrophenyl)azetidin-2-one
Acta Crystallographica Section E
67(5)
(2011)
o1101-o1102 | 301,806 | 2025-08-19 | 15:27:02 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $
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2,006,667 | 5.1318 | 0.0002 | 6.9156 | 0.0003 | 14.9166 | 0.0006 | 83.3087 | 0.0014 | 88.388 | 0.002 | 71.835 | 0.002 | 499.55 | 0.04 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 | P 1 | 1 | Pseudouridine | 2,4(1H,3H)-Pyrimidinedione,5-β-D-ribofuranosyl | - C9 H12 N2 O6 - | - C9 H12 N2 O6 - | - C18 H24 N4 O12 - | 2 | 2 | FG1303 | Hempel, Andrew; Lane, Byron G.; Camerman, Norman | Pseudouridine | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1707 | 1709 | 10.1107/S0108270197009323 | 0.71013 | MoKα | 0.2477 | 0.0918 | null | 0.2851 | 0.1898 | null | null | null | 0.927 | 1.044 | 1.044 | null | null | null | has coordinates | Hempel, Andrew; Lane, Byron G.; Camerman, Norman
Pseudouridine
Acta Crystallographica Section C
53(11)
(1997)
1707-1709 | 201,955 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-10-13 03:08:28 +0300 (Fri, 13 Oct 2017) $
#$Revision: 201955 $
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2,006,668 | 16.921 | 0.002 | 4.5252 | 0.0004 | 17.898 | 0.002 | 90 | null | 112.655 | 0.011 | 90 | null | 1,264.7 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 1 21/a 1 | -P 2yab | 14 | perilo(1,12-b,c,d)thiophene | - C20 H10 S - | - C20 H10 S - | - C80 H40 S4 - | 4 | 1 | FG1306 | Santos, Isabel C.; Almeida, Manuel; Morgado, Jorge; Duarte, M. Teresa; Alcácer, Luís | Perylo[1,12-<i>b</i>,<i>c</i>,<i>d</i>]thiophene | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1640 | 1642 | 10.1107/S0108270197007907 | 0.71069 | MoKα | 0.0873 | 0.04 | null | 0.124 | 0.0901 | null | null | null | 1.129 | 1.037 | 1.037 | null | null | null | has coordinates | Santos, Isabel C.; Almeida, Manuel; Morgado, Jorge; Duarte, M. Teresa; Alcácer, Luís
Perylo[1,12-<i>b</i>,<i>c</i>,<i>d</i>]thiophene
Acta Crystallographica Section C
53(11)
(1997)
1640-1642 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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