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2,000,082
9.747
0.003
9.751
0.003
7.689
0.003
99.92
0.05
105.88
0.05
100.08
0.05
673.084
null
null
null
294
null
null
null
null
null
6
P -1
-P 1
2
Tetraammonium dimanganese cyclo-hexaphosphate oxalate hexahydrate
- C2 H28 Mn2 N4 O28 P6 -
- C2 H28 Mn2 N4 O28 P6 -
- C2 H28 Mn2 N4 O28 P6 -
1
0.5
Averbuch-Pouchot, M. T.; Durif, A.
Crystal chemistry of cyclo-hexaphosphates. IX. Structure of tetraammonium dimanganese cyclo-hexaphosphate oxalate hexahydrate
Acta Crystallographica, Section C: Crystal Structure Communications
1,990
46
6
965
968
10.1107/s0108270189010371
null
null
0.03
null
null
0.03
null
null
null
null
null
null
null
null
null
has coordinates
Averbuch-Pouchot, M. T.; Durif, A. Crystal chemistry of cyclo-hexaphosphates. IX. Structure of tetraammonium dimanganese cyclo-hexaphosphate oxalate hexahydrate Acta Crystallographica, Section C: Crystal Structure Communications 46(6) (1990) 965-968
205,548
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2018-01-24 15:22:33 +0200 (Wed, 24 Jan 2018) $ #$Revision: 205548 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/00/2000082.cif $ #-------------------------------------------------------------------...
2,000,083
10.945
0.003
11.252
0.003
8.042
0.007
90.9
0.05
92.97
0.05
116.82
0.05
881.822
null
null
null
null
null
null
null
null
null
6
P -1
-P 1
2
- C6 H46 N6 O32 P6 Te2 -
- C8 H68 N8 O62 P12 Te2 -
- C8 H68 N8 O62 P12 Te2 -
1
0.5
Averbuch-Pouchot, M. T.; Durif, A.
Crystal chemistry of cyclo-hexaphosphates. VII. Structure of tris(ethylenediammonium) cyclo-hexaphosphate tellurate dihydrate
Acta Crystallographica, Section C: Crystal Structure Communications
1,990
46
11
2236
2238
10.1107/s0108270190003201
null
null
0.022
null
null
0.022
null
null
null
null
null
null
null
null
null
has coordinates
Averbuch-Pouchot, M. T.; Durif, A. Crystal chemistry of cyclo-hexaphosphates. VII. Structure of tris(ethylenediammonium) cyclo-hexaphosphate tellurate dihydrate Acta Crystallographica, Section C: Crystal Structure Communications 46(11) (1990) 2236-2238
199,750
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-08-15 04:09:12 +0300 (Tue, 15 Aug 2017) $ #$Revision: 199750 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/00/2000083.cif $ #-------------------------------------------------------------------...
2,000,084
11.064
0.005
12.317
0.005
9.342
0.005
90
null
90.53
0.05
90
null
1,273.03
null
null
null
null
null
null
null
null
null
5
P 1 21/n 1
-P 2yn
14
- C6 H34 N6 O20 P6 -
- C8 H44 N8 O38 P12 -
- C16 H88 N16 O76 P24 -
2
0.5
Durif, A.; Averbuch-Pouchot, M. T.
Crystal chemistry of cyclo-hexaphosphates. IV. Structures of tris(ethylenediammonium) cyclo-hexaphosphate dihydrate and copper bis(ethylenediammonium) cyclo-hexaphosphate hexahydrate
Acta Crystallographica, Section C: Crystal Structure Communications
1,989
45
12
1884
1887
10.1107/s0108270189004579
null
null
0.03
null
null
0.03
null
null
null
null
null
null
null
null
null
has coordinates
Durif, A.; Averbuch-Pouchot, M. T. Crystal chemistry of cyclo-hexaphosphates. IV. Structures of tris(ethylenediammonium) cyclo-hexaphosphate dihydrate and copper bis(ethylenediammonium) cyclo-hexaphosphate hexahydrate Acta Crystallographica, Section C: Crystal Structure Communications 45(12) (1989) 1884-1887
199,750
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-08-15 04:09:12 +0300 (Tue, 15 Aug 2017) $ #$Revision: 199750 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/00/2000084.cif $ #-------------------------------------------------------------------...
2,000,085
13.378
0.008
11.574
0.006
8.687
0.003
90
null
103.15
0.03
90
null
1,309.8
null
null
null
null
null
null
null
null
null
6
P 1 21/a 1
-P 2yab
14
- C4 H32 Cu N4 O24 P6 -
- C4 H44 Cu N4 O48 P12 -
- C8 H88 Cu2 N8 O96 P24 -
2
0.5
Durif, A.; Averbuch-Pouchot, M. T.
Crystal chemistry of cyclo-hexaphosphates. IV. Structures of tris(ethylenediammonium) cyclo-hexaphosphate dihydrate and copper bis(ethylenediammonium) cyclo-hexaphosphate hexahydrate
Acta Crystallographica, Section C: Crystal Structure Communications
1,989
45
12
1884
1887
10.1107/s0108270189004579
null
null
0.032
null
null
0.032
null
null
null
null
null
null
null
null
null
has coordinates
Durif, A.; Averbuch-Pouchot, M. T. Crystal chemistry of cyclo-hexaphosphates. IV. Structures of tris(ethylenediammonium) cyclo-hexaphosphate dihydrate and copper bis(ethylenediammonium) cyclo-hexaphosphate hexahydrate Acta Crystallographica, Section C: Crystal Structure Communications 45(12) (1989) 1884-1887
199,750
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-08-15 04:09:12 +0300 (Tue, 15 Aug 2017) $ #$Revision: 199750 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/00/2000085.cif $ #-------------------------------------------------------------------...
7,015,076
26.5223
0.0008
10.5201
0.0003
20.1433
0.0005
90
null
90
null
90
null
5,620.3
0.3
123
2
123
2
null
null
null
null
6
P b c n
-P 2n 2ab
60
- C26 H31 Cl2 N5 O10 Zn -
- C26 H31 Cl2 N5 O10 Zn -
- C208 H248 Cl16 N40 O80 Zn8 -
8
1
Mikata, Yuji; Yamashita, Azusa; Kawata, Keiko; Konno, Hideo; Itami, Saori; Yasuda, Keiko; Tamotsu, Satoshi
Methoxyquinoline-diethylenetriamine conjugate as a fluorescent zinc sensor.
Dalton transactions (Cambridge, England : 2003)
2,011
40
18
4976
4981
10.1039/c0dt00791a
0.7107
MoKα
0.0457
0.0445
null
null
0.1069
0.1079
null
null
null
null
null
1.046
null
null
has coordinates
Mikata, Yuji; Yamashita, Azusa; Kawata, Keiko; Konno, Hideo; Itami, Saori; Yasuda, Keiko; Tamotsu, Satoshi Methoxyquinoline-diethylenetriamine conjugate as a fluorescent zinc sensor. Dalton transactions (Cambridge, England : 2003) 40(18) (2011) 4976-4981
179,854
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-25 13:37:44 +0200 (Fri, 25 Mar 2016) $ #$Revision: 179854 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/50/7015076.cif $ #-------------------------------------------------------------------...
2,000,086
5.607
0.005
13.296
0.005
9.833
0.008
90
null
90.67
0.05
90
null
733.007
null
null
null
null
null
null
null
null
null
5
P 1 21 1
P 2yb
4
3-(4-nitrobenzoyl)-4-thiazolidinecarboxylic acid ethyl ester
- C13 H14 N2 O5 S -
- C13 H14 N2 O5 S -
- C26 H28 N4 O10 S2 -
2
1
Averbuch-Pouchot, M. T.; Durif, A.; Pera, M. H.; Hamri, A.
Structure of 3-(4-nitrobenzoyl)-4-thiazolidinecarboxylic acid ethyl ester
Acta Crystallographica, Section C: Crystal Structure Communications
1,990
46
2
299
301
10.1107/s0108270189007109
null
null
0.041
null
null
0.041
null
null
null
null
null
null
null
null
null
has coordinates
Averbuch-Pouchot, M. T.; Durif, A.; Pera, M. H.; Hamri, A. Structure of 3-(4-nitrobenzoyl)-4-thiazolidinecarboxylic acid ethyl ester Acta Crystallographica, Section C: Crystal Structure Communications 46(2) (1990) 299-301
301,791
2025-08-18
23:14:58
#------------------------------------------------------------------------------ #$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/2/00/00/2000086.cif $ #-------------------------------------------------------------------...
2,000,087
10.06
0.002
7.634
0.002
5.852
0.002
97.32
0.05
107.5
0.05
81.16
0.05
421.955
null
null
null
null
null
null
null
null
null
5
P -1
-P 1
2
- C4 H12 N O6 P -
- C4 H12 N O6 P -
- C8 H24 N2 O12 P2 -
2
1
Masse, R.; Durif, A.
Syntheses and crystal structures of α methyl alaninium dihydrogen monophosphate and Lβ methyl alaninium dihydrogen monophosphate. An approach for the design and preparation of polar organic-inorganic materials
Zeitschrift für Kristallographie - Crystalline Materials
1,990
190
1-4
19
32
10.1524/zkri.1989.190.14.19
null
null
0.026
null
null
0.026
null
null
null
null
null
null
null
null
null
has coordinates,has disorder
Masse, R.; Durif, A. Syntheses and crystal structures of α methyl alaninium dihydrogen monophosphate and Lβ methyl alaninium dihydrogen monophosphate. An approach for the design and preparation of polar organic-inorganic materials Zeitschrift für Kristallographie - Crystalline Materials 190(1-4) (1990) 19-32
301,791
2025-08-18
23:14:58
#------------------------------------------------------------------------------ #$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/2/00/00/2000087.cif $ #-------------------------------------------------------------------...
2,000,088
7.164
0.002
6.533
0.002
9.458
0.002
90
null
105.48
0.07
90
null
426.599
null
null
null
null
null
null
null
null
null
5
P 1 21 1
P 2yb
4
- C4 H12 N O6 P -
- C4 H12 N O6 P -
- C8 H24 N2 O12 P2 -
2
1
Masse, R.; Durif, A.
Syntheses and crystal structures of α methyl alaninium dihydrogen monophosphate and Lβ methyl alaninium dihydrogen monophosphate. An approach for the design and preparation of polar organic-inorganic materials
Zeitschrift für Kristallographie - Crystalline Materials
1,990
190
1-4
19
32
10.1524/zkri.1989.190.14.19
null
null
0.033
null
null
0.033
null
null
null
null
null
null
null
null
null
has coordinates
Masse, R.; Durif, A. Syntheses and crystal structures of α methyl alaninium dihydrogen monophosphate and Lβ methyl alaninium dihydrogen monophosphate. An approach for the design and preparation of polar organic-inorganic materials Zeitschrift für Kristallographie - Crystalline Materials 190(1-4) (1990) 19-32
301,791
2025-08-18
23:14:58
#------------------------------------------------------------------------------ #$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/2/00/00/2000088.cif $ #-------------------------------------------------------------------...
2,000,089
16.804
0.01
23.883
0.01
10.623
0.008
90
null
109.66
0.02
90
null
4,014.8
null
null
null
null
null
null
null
null
null
5
P 1 21/a 1
-P 2yab
14
- C12 H56 N6 O22 P6 -
- C12 H56 N6 O22 P6 -
- C48 H224 N24 O88 P24 -
4
1
Averbuch-Pouchot, M. T.; Durif, A.
Crystal chemistry of cyclo-hexaphosphates. XVIII. Structures of ethylammonium cyclo-hexaphosphate tetrahydrate and hydrazinium(1+) hydrazinium(2+) cyclo-hexaphosphate
Acta Crystallographica, Section C: Crystal Structure Communications
1,991
47
8
1579
1583
10.1107/s0108270191001415
null
null
0.035
null
null
0.035
null
null
null
null
null
null
null
null
null
has coordinates
Averbuch-Pouchot, M. T.; Durif, A. Crystal chemistry of cyclo-hexaphosphates. XVIII. Structures of ethylammonium cyclo-hexaphosphate tetrahydrate and hydrazinium(1+) hydrazinium(2+) cyclo-hexaphosphate Acta Crystallographica, Section C: Crystal Structure Communications 47(8) (1991) 1579-1583
199,750
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-08-15 04:09:12 +0300 (Tue, 15 Aug 2017) $ #$Revision: 199750 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/00/2000089.cif $ #-------------------------------------------------------------------...
2,000,090
18.543
0.003
4.561
0.004
15.342
0.003
90
null
129.14
0.01
90
null
1,006.38
null
null
null
null
null
null
null
null
null
5
C 1 c 1
C -2yc
9
- C3 H16 N2 O8 P2 -
- C3 H16 N2 O8 P2 -
- C12 H64 N8 O32 P8 -
4
1
Kamoun, S.; Jouini, A.; Daoud, A.; Durif, A.; Guitel, J. C.
Structure du diammonium-1,3 propane bis(dihydrogénomonophosphate)
Acta Crystallographica, Section C: Crystal Structure Communications
1,992
48
1
133
135
10.1107/s0108270191008077
null
null
0.027
null
null
0.027
null
null
null
null
null
null
null
null
null
has coordinates
Kamoun, S.; Jouini, A.; Daoud, A.; Durif, A.; Guitel, J. C. Structure du diammonium-1,3 propane bis(dihydrogénomonophosphate) Acta Crystallographica, Section C: Crystal Structure Communications 48(1) (1992) 133-135
301,791
2025-08-18
23:14:58
#------------------------------------------------------------------------------ #$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/2/00/00/2000090.cif $ #-------------------------------------------------------------------...
2,000,091
9.965
0.009
7.666
0.005
6.117
0.007
101.56
0.04
102.58
0.03
90.25
0.06
446.255
null
null
null
null
null
null
null
null
null
5
P -1
-P 1
2
- C2 H12 N2 O7 P2 -
- C2 H12 N2 O7 P2 -
- C4 H24 N4 O14 P4 -
2
1
Averbuch-Pouchot, M.-T.; Durif, A.
Synthesis and crystal structure of ethylenediammonium dihydrogen diphosphate
Comptes Rendus de l'Academie des Sciences, Serie II: Mecanique, Physique, Chimie, Sciences de la Terre et de l'Univers
1,993
316
2
187
192
null
null
0.034
null
null
0.034
null
null
null
null
null
null
null
null
null
has coordinates
Averbuch-Pouchot, M.-T.; Durif, A. Synthesis and crystal structure of ethylenediammonium dihydrogen diphosphate Comptes Rendus de l'Academie des Sciences, Serie II: Mecanique, Physique, Chimie, Sciences de la Terre et de l'Univers 316(2) (1993) 187-192
301,791
2025-08-18
23:14:58
#------------------------------------------------------------------------------ #$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/2/00/00/2000091.cif $ #-------------------------------------------------------------------...
2,000,092
10.395
0.004
10.793
0.005
13.839
0.004
103.98
0.03
91.62
0.03
116.65
0.03
1,329.78
null
null
null
null
null
null
null
null
null
5
P -1
-P 1
2
- C42 H64 N6 O20 P6 -
- C56 N6 O38 P12 -
- C56 N6 O38 P12 -
1
0.5
Larafa, K.; Mahjoub, A.; Rzaigui, M.; Durif, A.
Synthesis and crystal structure of (o-CH~3~C~6~H~4~NH~3~)~6~P~6~O~18~ · 2H~2~O
European Journal of Solid State and Inorganic Chemistry
1,997
34
5
481
494
null
null
0.036
null
null
0.036
null
null
null
null
null
null
null
null
null
has coordinates
Larafa, K.; Mahjoub, A.; Rzaigui, M.; Durif, A. Synthesis and crystal structure of (o-CH~3~C~6~H~4~NH~3~)~6~P~6~O~18~ · 2H~2~O European Journal of Solid State and Inorganic Chemistry 34(5) (1997) 481-494
182,181
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-04-17 16:45:36 +0300 (Sun, 17 Apr 2016) $ #$Revision: 182181 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/00/2000092.cif $ #-------------------------------------------------------------------...
2,000,093
7.594
0.003
17.346
0.004
14.106
0.002
90
null
98.74
0.02
90
null
1,836.54
null
null
null
null
null
null
null
null
null
4
P 1 21/a 1
-P 2yab
14
- C17 H19 N5 P2 -
- C17 H19 N5 P2 -
- C68 H76 N20 P8 -
4
1
Gimbert, Yves; Robert, Frédéric; Durif, André; Averbuch, Marie-Thérèse; Kann, Nina; Greene, Andrew E.
Synthesis and Characterization of New Binuclear Co(0) Complexes with Diphosphinoamine Ligands. A Potential Approach for Asymmetric Pauson-Khand Reactions
The Journal of Organic Chemistry
1,999
64
10
3492
3497
10.1021/jo982245o
null
null
0.033
null
null
0.033
null
null
null
null
null
null
null
null
null
has coordinates
Gimbert, Yves; Robert, Frédéric; Durif, André; Averbuch, Marie-Thérèse; Kann, Nina; Greene, Andrew E. Synthesis and Characterization of New Binuclear Co(0) Complexes with Diphosphinoamine Ligands. A Potential Approach for Asymmetric Pauson-Khand Reactions The Journal of Organic Chemistry 64(10) (1999) 3492-3497
301,791
2025-08-18
23:14:58
#------------------------------------------------------------------------------ #$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/2/00/00/2000093.cif $ #-------------------------------------------------------------------...
2,000,094
40.127
0.006
12.434
0.003
14.716
0.002
90
null
92.87
0.02
90
null
7,333.18
null
null
null
null
null
null
null
null
null
5
C 1 2/c 1
-C 2yc
15
- C37 H28 Co2 O4 P2 -
- C37 H28 Co2 O4 P2 -
- C296 H224 Co16 O32 P16 -
8
1
Gimbert, Yves; Robert, Frédéric; Durif, André; Averbuch, Marie-Thérèse; Kann, Nina; Greene, Andrew E.
Synthesis and Characterization of New Binuclear Co(0) Complexes with Diphosphinoamine Ligands. A Potential Approach for Asymmetric Pauson-Khand Reactions
The Journal of Organic Chemistry
1,999
64
10
3492
3497
10.1021/jo982245o
null
null
0.034
null
null
0.034
null
null
null
null
null
null
null
null
null
has coordinates
Gimbert, Yves; Robert, Frédéric; Durif, André; Averbuch, Marie-Thérèse; Kann, Nina; Greene, Andrew E. Synthesis and Characterization of New Binuclear Co(0) Complexes with Diphosphinoamine Ligands. A Potential Approach for Asymmetric Pauson-Khand Reactions The Journal of Organic Chemistry 64(10) (1999) 3492-3497
219,250
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2019-10-10 12:58:52 +0300 (Thu, 10 Oct 2019) $ #$Revision: 219250 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/00/2000094.cif $ #-------------------------------------------------------------------...
2,000,095
14.128
0.005
14.927
0.006
17.277
0.009
90
null
110.7
0.04
90
null
3,408.31
null
null
null
null
null
null
null
null
null
6
P 1 21/a 1
-P 2yab
14
- C37 H29 Co2 N O4 P2 -
- C37 H29 Co2 N O4 P2 -
- C148 H116 Co8 N4 O16 P8 -
4
1
Gimbert, Yves; Robert, Frédéric; Durif, André; Averbuch, Marie-Thérèse; Kann, Nina; Greene, Andrew E.
Synthesis and Characterization of New Binuclear Co(0) Complexes with Diphosphinoamine Ligands. A Potential Approach for Asymmetric Pauson-Khand Reactions
The Journal of Organic Chemistry
1,999
64
10
3492
3497
10.1021/jo982245o
null
null
0.037
null
null
0.037
null
null
null
null
null
null
null
null
null
has coordinates
Gimbert, Yves; Robert, Frédéric; Durif, André; Averbuch, Marie-Thérèse; Kann, Nina; Greene, Andrew E. Synthesis and Characterization of New Binuclear Co(0) Complexes with Diphosphinoamine Ligands. A Potential Approach for Asymmetric Pauson-Khand Reactions The Journal of Organic Chemistry 64(10) (1999) 3492-3497
219,250
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2019-10-10 12:58:52 +0300 (Thu, 10 Oct 2019) $ #$Revision: 219250 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/00/2000095.cif $ #-------------------------------------------------------------------...
2,000,096
7.166
0.002
9.205
0.003
28.231
0.009
90
null
90
null
90
null
1,862.2
null
null
null
null
null
null
null
null
null
7
P 21 21 21
P 2ac 2ab
19
- C13 H9 Co2 F4 N O4 P2 -
- C13 H9 Co2 F4 N O4 P2 -
- C52 H36 Co8 F16 N4 O16 P8 -
4
1
Gimbert, Yves; Robert, Frédéric; Durif, André; Averbuch, Marie-Thérèse; Kann, Nina; Greene, Andrew E.
Synthesis and Characterization of New Binuclear Co(0) Complexes with Diphosphinoamine Ligands. A Potential Approach for Asymmetric Pauson-Khand Reactions
The Journal of Organic Chemistry
1,999
64
10
3492
3497
10.1021/jo982245o
null
null
0.04
null
null
0.04
null
null
null
null
null
null
null
null
null
has coordinates
Gimbert, Yves; Robert, Frédéric; Durif, André; Averbuch, Marie-Thérèse; Kann, Nina; Greene, Andrew E. Synthesis and Characterization of New Binuclear Co(0) Complexes with Diphosphinoamine Ligands. A Potential Approach for Asymmetric Pauson-Khand Reactions The Journal of Organic Chemistry 64(10) (1999) 3492-3497
219,250
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2019-10-10 12:58:52 +0300 (Thu, 10 Oct 2019) $ #$Revision: 219250 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/00/2000096.cif $ #-------------------------------------------------------------------...
2,000,097
10.611
0.002
12.401
0.006
15.96
0.004
111.07
0.04
98.14
0.02
76.85
0.03
1,904.19
null
null
null
null
null
null
null
null
null
7
P -1
-P 1
2
- C25 H13 Co2 F24 N O8 P2 -
- C25 H13 Co2 F24 N O8 P2 -
- C50 H26 Co4 F48 N2 O16 P4 -
2
1
Gimbert, Yves; Robert, Frédéric; Durif, André; Averbuch, Marie-Thérèse; Kann, Nina; Greene, Andrew E.
Synthesis and Characterization of New Binuclear Co(0) Complexes with Diphosphinoamine Ligands. A Potential Approach for Asymmetric Pauson-Khand Reactions
The Journal of Organic Chemistry
1,999
64
10
3492
3497
10.1021/jo982245o
null
null
0.039
null
null
0.039
null
null
null
null
null
null
null
null
null
has coordinates
Gimbert, Yves; Robert, Frédéric; Durif, André; Averbuch, Marie-Thérèse; Kann, Nina; Greene, Andrew E. Synthesis and Characterization of New Binuclear Co(0) Complexes with Diphosphinoamine Ligands. A Potential Approach for Asymmetric Pauson-Khand Reactions The Journal of Organic Chemistry 64(10) (1999) 3492-3497
219,250
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2019-10-10 12:58:52 +0300 (Thu, 10 Oct 2019) $ #$Revision: 219250 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/00/2000097.cif $ #-------------------------------------------------------------------...
2,000,098
14.148
0.004
13.928
0.004
17.126
0.003
90
null
111.54
0.02
90
null
3,139.05
null
null
null
null
null
null
null
null
null
6
P 1 21/a 1
-P 2yab
14
- C29 H25 Co2 N5 O4 P2 -
- C29 H25 Co2 N5 O4 P2 -
- C116 H100 Co8 N20 O16 P8 -
4
1
Gimbert, Yves; Robert, Frédéric; Durif, André; Averbuch, Marie-Thérèse; Kann, Nina; Greene, Andrew E.
Synthesis and Characterization of New Binuclear Co(0) Complexes with Diphosphinoamine Ligands. A Potential Approach for Asymmetric Pauson-Khand Reactions
The Journal of Organic Chemistry
1,999
64
10
3492
3497
10.1021/jo982245o
null
null
0.021
null
null
0.021
null
null
null
null
null
null
null
null
null
has coordinates
Gimbert, Yves; Robert, Frédéric; Durif, André; Averbuch, Marie-Thérèse; Kann, Nina; Greene, Andrew E. Synthesis and Characterization of New Binuclear Co(0) Complexes with Diphosphinoamine Ligands. A Potential Approach for Asymmetric Pauson-Khand Reactions The Journal of Organic Chemistry 64(10) (1999) 3492-3497
219,250
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2019-10-10 12:58:52 +0300 (Thu, 10 Oct 2019) $ #$Revision: 219250 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/00/2000098.cif $ #-------------------------------------------------------------------...
2,000,099
18.128
0.007
20.224
0.007
26.221
0.009
101.3
0.02
104.07
0.02
102.37
0.02
8,790.67
null
null
null
293
null
null
null
null
null
7
P -1
-P 1
2
- C94.5 H96.5 B2 N6.5 Ni2 O7 S2 -
- C97 H82 B2 N6.5 Ni2 O4.5 S2 -
- C388 H328 B8 N26 Ni8 O18 S8 -
4
2
Catherine Belle; Catherine Bougault; Marie-Thérèse Averbuch; André Durif; Jean-Louis Pierre; Jean-Marc Latour; Laurent Le Pape
Paramagnetic NMR Investigations of High-Spin Nickel(II) Complexes. Controlled Synthesis, Structural, Electronic, and Magnetic Properties of Dinuclear vs Mononuclear Species
Journal of the American Chemical Society
2,001
123
33
8053
8066
10.1021/ja010342k
null
null
0.0576
null
null
0.0576
null
null
null
null
null
null
null
null
null
has coordinates
Catherine Belle; Catherine Bougault; Marie-Thérèse Averbuch; André Durif; Jean-Louis Pierre; Jean-Marc Latour; Laurent Le Pape Paramagnetic NMR Investigations of High-Spin Nickel(II) Complexes. Controlled Synthesis, Structural, Electronic, and Magnetic Properties of Dinuclear vs Mononuclear Species Journal of the Ameri...
277,836
2022-09-14
17:02:02
#------------------------------------------------------------------------------ #$Date: 2022-09-14 20:01:49 +0300 (Wed, 14 Sep 2022) $ #$Revision: 277836 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/00/2000099.cif $ #-------------------------------------------------------------------...
2,000,100
10.108
0.002
10.925
0.002
13.061
0.006
100.05
0.02
107.65
0.03
90.24
0.02
1,350.83
null
null
null
null
null
null
null
null
null
5
P -1
-P 1
2
- C17 H35 Ga2 N2 O18.5 -
- C17 H35 Ga2 N2 O18.5 -
- C34 H70 Ga4 N4 O37 -
2
1
Jarjayes, O.; Du Moulinet D'Hardemare, A.; Durif, A.; Averbuch-Pouchot, M.-T.
A Phenoxo-Bridged Digallium(III) Complex with a Ligand Derived from 2,6-Bis{[N,N'-bis(carboxymethyl)amino]methyl}-4-methylphenol
Acta Crystallographica, Section C: Crystal Structure Communications
1,998
54
7
931
933
10.1107/s0108270198000912
null
null
0.035
null
null
0.035
null
null
null
null
null
null
null
null
null
has coordinates
Jarjayes, O.; Du Moulinet D'Hardemare, A.; Durif, A.; Averbuch-Pouchot, M.-T. A Phenoxo-Bridged Digallium(III) Complex with a Ligand Derived from 2,6-Bis{[N,N'-bis(carboxymethyl)amino]methyl}-4-methylphenol Acta Crystallographica, Section C: Crystal Structure Communications 54(7) (1998) 931-933
199,646
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-08-08 16:56:54 +0300 (Tue, 08 Aug 2017) $ #$Revision: 199646 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/01/2000100.cif $ #-------------------------------------------------------------------...
2,000,101
10.091
0.006
10.002
0.002
11.524
0.003
90
null
105.06
0.04
90
null
1,123.17
null
null
null
null
null
null
null
null
null
4
P 1 21 1
P 2yb
4
- C25 H23 N P2 -
- C25 H23 N P2 -
- C50 H46 N2 P4 -
2
1
Gimbert, Yves; Robert, Frédéric; Durif, André; Averbuch, Marie-Thérèse; Kann, Nina; Greene, Andrew E.
Synthesis and Characterization of New Binuclear Co(0) Complexes with Diphosphinoamine Ligands. A Potential Approach for Asymmetric Pauson-Khand Reactions
The Journal of Organic Chemistry
1,999
64
10
3492
3497
10.1021/jo982245o
null
null
0.032
null
null
0.032
null
null
null
null
null
null
null
null
null
has coordinates
Gimbert, Yves; Robert, Frédéric; Durif, André; Averbuch, Marie-Thérèse; Kann, Nina; Greene, Andrew E. Synthesis and Characterization of New Binuclear Co(0) Complexes with Diphosphinoamine Ligands. A Potential Approach for Asymmetric Pauson-Khand Reactions The Journal of Organic Chemistry 64(10) (1999) 3492-3497
301,791
2025-08-18
23:14:58
#------------------------------------------------------------------------------ #$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/2/00/01/2000101.cif $ #-------------------------------------------------------------------...
2,000,102
12.897
0.004
4.748
0.001
12.888
0.004
90
null
126.7
0.2
90
null
632.758
null
null
null
null
null
null
null
null
null
4
P 1 21 1
P 2yb
4
- C13 H14 N2 O5 -
- C13 H14 N2 O5 -
- C26 H28 N4 O10 -
2
1
Averbuch-Pouchot, M.-T.; Bourdat, A.-G.; Defrancq, E.; Durif, A.; Kotera, M.; Lhomme, J.
Crystal structure of 7-nitro-1(2'-deoxy-β-D-ribofuranosyl)-indole, C~13~H~14~N~2~O~5~
Zeitschrift für Kristallographie - New Crystal Structures
1,998
213
1-4
181
182
10.1524/ncrs.1998.213.14.181
null
null
0.0302
null
null
0.0302
null
null
null
null
null
null
null
null
null
has coordinates
Averbuch-Pouchot, M.-T.; Bourdat, A.-G.; Defrancq, E.; Durif, A.; Kotera, M.; Lhomme, J. Crystal structure of 7-nitro-1(2'-deoxy-β-D-ribofuranosyl)-indole, C~13~H~14~N~2~O~5~ Zeitschrift für Kristallographie - New Crystal Structures 213(1-4) (1998) 181-182
301,791
2025-08-18
23:14:58
#------------------------------------------------------------------------------ #$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/2/00/01/2000102.cif $ #-------------------------------------------------------------------...
7,015,075
12.183
0.0014
12.405
0.0015
12.88
0.0015
68.221
0.002
64.875
0.002
89.813
0.002
1,608.8
0.3
293
2
293
2
null
null
null
null
8
P -1
-P 1
2
- C48 H42 Co0 Mo8 N16 Na0 Ni O30 -
- C48 H42 Mo8 N16 Ni O30 -
- C48 H42 Mo8 N16 Ni O30 -
1
0.5
Zang, Hong-Ying; Lan, Ya-Qian; Li, Shun-Li; Yang, Guang-Sheng; Shao, Kui-Zhan; Wang, Xin-Long; Yan, Li-Kai; Su, Zhong-Min
Step-wise synthesis of inorganic-organic hybrid based on γ-octamolybdate-based tectons.
Dalton transactions (Cambridge, England : 2003)
2,011
40
13
3176
3182
10.1039/c0dt00656d
0.71069
MoKα
0.0663
0.042
null
null
0.0868
0.0971
null
null
null
null
null
1.031
null
null
has coordinates
Zang, Hong-Ying; Lan, Ya-Qian; Li, Shun-Li; Yang, Guang-Sheng; Shao, Kui-Zhan; Wang, Xin-Long; Yan, Li-Kai; Su, Zhong-Min Step-wise synthesis of inorganic-organic hybrid based on γ-octamolybdate-based tectons. Dalton transactions (Cambridge, England : 2003) 40(13) (2011) 3176-3182
179,854
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-25 13:37:44 +0200 (Fri, 25 Mar 2016) $ #$Revision: 179854 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/50/7015075.cif $ #-------------------------------------------------------------------...
2,000,103
18.808
0.008
9.631
0.002
14.019
0.008
90
null
109.63
0.05
90
null
2,391.81
null
null
null
null
null
null
null
null
null
6
C 1 2/c 1
-C 2yc
15
- C6 H34 Cu2 N6 O17 P4 -
- C8 H46 Cu2 N8 O17 P4 -
- C32 H184 Cu8 N32 O68 P16 -
4
0.5
Gharbi, A.; Jouini, A.; Averbuch-Pouchot, M. T.; Durif, A.
Ethylenediammonium bis[Copper(II) Monohydrogendiphosphate Ethylenediamine] Trihydrate
Journal of Solid State Chemistry
1,994
111
2
330
337
10.1006/jssc.1994.1235
null
null
0.036
null
null
0.036
null
null
null
null
null
null
null
null
null
has coordinates
Gharbi, A.; Jouini, A.; Averbuch-Pouchot, M. T.; Durif, A. Ethylenediammonium bis[Copper(II) Monohydrogendiphosphate Ethylenediamine] Trihydrate Journal of Solid State Chemistry 111(2) (1994) 330-337
199,775
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-08-16 02:14:33 +0300 (Wed, 16 Aug 2017) $ #$Revision: 199775 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/01/2000103.cif $ #-------------------------------------------------------------------...
2,000,104
8.843
0.002
18.315
0.004
10.731
0.003
90
null
114.17
0.02
90
null
1,585.63
null
null
null
null
null
null
null
null
null
4
P 1 21/c 1
-P 2ybc
14
- C19 H22 N O -
- C19 H22 N O -
- C76 H88 N4 O4 -
4
1
Einhorn, Jacques; Einhorn, Cathy; Ratajczak, Fabien; Durif, André; Averbuch, Marie-Thérèse; Pierre, Jean-Louis
Synthesis and resolution of a chiral analogue of 2,2,6,6-tetramethylpiperidine and of its corresponding nitroxide
Tetrahedron Letters
1,998
39
17
2565
2568
10.1016/S0040-4039(98)00244-5
null
null
0.034
null
null
0.034
null
null
null
null
null
null
null
null
null
has coordinates
Einhorn, Jacques; Einhorn, Cathy; Ratajczak, Fabien; Durif, André; Averbuch, Marie-Thérèse; Pierre, Jean-Louis Synthesis and resolution of a chiral analogue of 2,2,6,6-tetramethylpiperidine and of its corresponding nitroxide Tetrahedron Letters 39(17) (1998) 2565-2568
199,643
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-08-08 11:19:05 +0300 (Tue, 08 Aug 2017) $ #$Revision: 199643 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/01/2000104.cif $ #-------------------------------------------------------------------...
2,000,105
15.558
0.008
10.45
0.006
7.639
0.004
104.14
0.05
102.73
0.05
86.71
0.05
1,174.72
null
null
null
null
null
null
null
null
null
5
P -1
-P 1
2
- C6 H30 N6 O18 P6 -
- C8 H40 N8 O18 P6 -
- C16 H80 N16 O36 P12 -
2
1
Averbuch-Pouchot, M. T.; Durif, A.; Guitel, J. C.
Structure of tris(ethylenediammonium) bis(cyclo-triphosphate)
Acta Crystallographica, Section C: Crystal Structure Communications
1,989
45
9
1320
1322
10.1107/s0108270189000909
null
null
0.027
null
null
0.027
null
null
null
null
null
null
null
null
null
has coordinates
Averbuch-Pouchot, M. T.; Durif, A.; Guitel, J. C. Structure of tris(ethylenediammonium) bis(cyclo-triphosphate) Acta Crystallographica, Section C: Crystal Structure Communications 45(9) (1989) 1320-1322
199,775
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-08-16 02:14:33 +0300 (Wed, 16 Aug 2017) $ #$Revision: 199775 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/01/2000105.cif $ #-------------------------------------------------------------------...
2,000,106
10.734
0.009
20.806
0.01
7.625
0.006
90
null
90
null
90
null
1,702.9
null
null
null
null
null
null
null
null
null
4
P b n 21
P 2c -2ab
33
- C17 H25 N5 O2 -
- C17 H25 N5 O2 -
- C68 H100 N20 O8 -
4
1
Dutasta, J. P.; Gellon, G.; Pierre, J. L.; Averbuch-Pouchot, M. T.; Durif, A.
Structure of a pyridyl-containing macrobicyclic molecule, potential transition-metal complexing agent and NADH model precursor
Acta Crystallographica, Section C: Crystal Structure Communications
1,990
46
2
259
261
10.1107/s0108270189006189
null
null
0.055
null
null
0.055
null
null
null
null
null
null
null
null
null
has coordinates
Dutasta, J. P.; Gellon, G.; Pierre, J. L.; Averbuch-Pouchot, M. T.; Durif, A. Structure of a pyridyl-containing macrobicyclic molecule, potential transition-metal complexing agent and NADH model precursor Acta Crystallographica, Section C: Crystal Structure Communications 46(2) (1990) 259-261
301,791
2025-08-18
23:14:58
#------------------------------------------------------------------------------ #$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/2/00/01/2000106.cif $ #-------------------------------------------------------------------...
2,000,107
12.353
0.008
11.944
0.008
10.154
0.005
114.91
0.05
110.82
0.05
79.04
0.05
1,268.62
null
null
null
null
null
null
null
null
null
5
P -1
-P 1
2
- C36 H60 N6 O24 P6 -
- C23 H15 N3 O21 P6 -
- C46 H30 N6 O42 P12 -
2
1
Elmokhtar, O. S. M.; Abid, S.; Rzaigui, M.; Durif, A.
Chemical preparation and structural investigation of a new cyclohexaphosphate: (C~6~H~5~NH~3~)~6~P~6~O~18~ · 6H~2~O
Materials Chemistry and Physics
1,995
42
3
225
230
10.1016/0254-0584(95)01594-9
null
null
0.042
null
null
0.042
null
null
null
null
null
null
null
null
null
has coordinates
Elmokhtar, O. S. M.; Abid, S.; Rzaigui, M.; Durif, A. Chemical preparation and structural investigation of a new cyclohexaphosphate: (C~6~H~5~NH~3~)~6~P~6~O~18~ · 6H~2~O Materials Chemistry and Physics 42(3) (1995) 225-230
199,775
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-08-16 02:14:33 +0300 (Wed, 16 Aug 2017) $ #$Revision: 199775 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/01/2000107.cif $ #-------------------------------------------------------------------...
2,000,108
14.815
0.008
8.882
0.005
10.02
0.005
90
null
129.15
0.05
90
null
1,022.5
1.2
null
null
null
null
null
null
null
null
5
C 1 2/c 1
-C 2yc
15
Telluric acid urea (1/2)
- C2 H14 N4 O8 Te -
- C2 H20 N4 O14 Te -
- C8 H80 N16 O56 Te4 -
4
0.5
Averbuch-Pouchot, M.-T.; Durif, A.
Determination des liaisons hydrogene dans le compose d'addition uree- acide tellurique: Te(OH)~6~(CO(NH~2~)~2~)~2~
Comptes Rendus des Seances de l'Academie des Sciences, Serie 2: Mecanique-Physique, Chimie, Sciences de l'Univers, Sciences de la Terre
1,989
309
25
28
null
null
0.031
null
null
0.031
null
null
null
null
null
null
null
1,007,188
null
has coordinates
Averbuch-Pouchot, M.-T.; Durif, A. Determination des liaisons hydrogene dans le compose d'addition uree- acide tellurique: Te(OH)~6~(CO(NH~2~)~2~)~2~ Comptes Rendus des Seances de l'Academie des Sciences, Serie 2: Mecanique-Physique, Chimie, Sciences de l'Univers, Sciences de la Terre 309 (1989) 25-28
199,771
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-08-15 19:25:53 +0300 (Tue, 15 Aug 2017) $ #$Revision: 199771 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/01/2000108.cif $ #-------------------------------------------------------------------...
2,000,109
17.863
0.015
15.317
0.013
13.109
0.01
90
null
90
null
90
null
3,586.72
null
null
null
null
null
null
null
null
null
6
P b c a
-P 2ac 2ab
61
strontium ethylenediammonium cyclo-tetraphosphate hydrate
- C2 H20 N2 O17 P4 Sr -
- C2 H20 N2 O17 P4 Sr -
- C16 H160 N16 O136 P32 Sr8 -
8
1
M. Bagieu-Beucher; A. Durif; J. C. Guitel
Structure of a strontium ethylenediammonium cyclo-tetraphosphate hydrate
Acta Crystallogr.,Sect.C:Cryst.Struct.Commun.
1,988
44
2063
2065
10.1107/S0108270188008479
null
null
0.034
null
null
0.034
null
null
null
null
null
null
null
null
null
has coordinates
M. Bagieu-Beucher; A. Durif; J. C. Guitel Structure of a strontium ethylenediammonium cyclo-tetraphosphate hydrate Acta Crystallogr.,Sect.C:Cryst.Struct.Commun. 44 (1988) 2063-2065
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/2/00/01/2000109.cif $ #-------------------------------------------------------------------...
2,000,110
13.168
0.009
8.599
0.006
15.152
0.01
90
null
90
null
90
null
1,715.69
null
null
null
null
null
null
null
null
null
5
P c c a
-P 2a 2ac
54
- C4 H22 N4 O13 P4 -
- C8 H44 N8 O25 P8 -
- C32 H176 N32 O100 P32 -
4
0.5
Averbuch-Pouchot, M. T.; Durif, A.; Guitel, J. C.
Structure of bis(ethylenediammonium) cyclo-tetraphosphate monohydrate
Acta Crystallographica, Section C: Crystal Structure Communications
1,989
45
3
428
430
10.1107/s0108270188011989
null
null
0.033
null
null
0.033
null
null
null
null
null
null
null
null
null
has coordinates
Averbuch-Pouchot, M. T.; Durif, A.; Guitel, J. C. Structure of bis(ethylenediammonium) cyclo-tetraphosphate monohydrate Acta Crystallographica, Section C: Crystal Structure Communications 45(3) (1989) 428-430
199,775
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-08-16 02:14:33 +0300 (Wed, 16 Aug 2017) $ #$Revision: 199775 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/01/2000110.cif $ #-------------------------------------------------------------------...
2,000,111
25.14
0.02
11.393
0.007
18.55
0.02
90
null
116.07
0.07
90
null
4,772.53
null
null
null
null
null
null
null
null
null
5
C 1 2/c 1
-C 2yc
15
- C22 H27 N4 O6 P -
- C22 H27 N4 O6 P -
- C176 H216 N32 O48 P8 -
8
1
Tordjman, I.; Durif, A.; Masse, R.
Structure of an antipyrine-monophosphoric acid complex
Acta Crystallographica, Section C: Crystal Structure Communications
1,991
47
2
351
353
10.1107/s010827019000511x
null
null
0.041
null
null
0.041
null
null
null
null
null
null
null
null
null
has coordinates
Tordjman, I.; Durif, A.; Masse, R. Structure of an antipyrine-monophosphoric acid complex Acta Crystallographica, Section C: Crystal Structure Communications 47(2) (1991) 351-353
301,791
2025-08-18
23:14:58
#------------------------------------------------------------------------------ #$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/2/00/01/2000111.cif $ #-------------------------------------------------------------------...
2,000,112
9.3
0.05
33.25
0.15
6.75
0.04
90
null
120
0.3
90
null
1,807.63
null
null
null
null
null
null
null
null
null
5
P 1 21/c 1
-P 2ybc
14
2-Imino-5-phenyl-thiazolidin-4-one
- C9 H8 N2 O S -
- C9 N2 O S -
- C72 N16 O8 S8 -
8
2
Mornon, J. P.; Raveau, B.
Structure cristalline de la molécule schématisée par l'équilibre tautomère: amino-2 phényl-5 thiazolinone-4 ⇌ imino-2 phényl-5 thiazolidinone-4
Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry
1,971
27
1
95
108
10.1107/S0567740871001754
null
null
0.11
null
null
0.11
null
null
null
null
null
null
null
null
null
has coordinates
Mornon, J. P.; Raveau, B. Structure cristalline de la molécule schématisée par l'équilibre tautomère: amino-2 phényl-5 thiazolinone-4 ⇌ imino-2 phényl-5 thiazolidinone-4 Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry 27(1) (1971) 95-108
189,487
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-12-28 16:56:06 +0200 (Wed, 28 Dec 2016) $ #$Revision: 189487 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/01/2000112.cif $ #-------------------------------------------------------------------...
2,000,113
14.503
0.001
12.267
0.001
22.202
0.002
90
null
100.867
0.006
90
null
3,879.09
null
null
null
null
null
null
null
null
null
7
P 1 21/c 1
-P 2ybc
14
- C16 H86 Cd4 Mo12 N4 O72 P8 -
- C16 Cd11 Mo24 N4 O146 P16 -
- C32 Cd22 Mo48 N8 O292 P32 -
2
0.5
Leclaire, A.; Guesdon, A.; Berrah, F.; Borel, M. M.; Raveau, B.
Four New Mo(V) Phosphate Structures Built up of Isotypic Mo~12~MP~8~X~62~ Clusters
Journal of Solid State Chemistry
1,999
145
1
291
301
10.1006/jssc.1999.8268
null
null
0.057
null
null
0.057
null
null
null
null
null
null
null
null
null
has coordinates
Leclaire, A.; Guesdon, A.; Berrah, F.; Borel, M. M.; Raveau, B. Four New Mo(V) Phosphate Structures Built up of Isotypic Mo~12~MP~8~X~62~ Clusters Journal of Solid State Chemistry 145(1) (1999) 291-301
199,775
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-08-16 02:14:33 +0300 (Wed, 16 Aug 2017) $ #$Revision: 199775 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/01/2000113.cif $ #-------------------------------------------------------------------...
2,000,114
15.123
0.001
12.305
0.001
19.264
0.002
90
null
98.62
0.008
90
null
3,544.32
null
null
null
null
null
null
null
null
null
7
P 1 n 1
P -2yac
7
- C16 H90 Cd2 Mo12 N4 O72 P8 -
- C8 Cd7 Mo12 N2 O79 P8 -
- C16 Cd14 Mo24 N4 O158 P16 -
2
1
Leclaire, A.; Guesdon, A.; Berrah, F.; Borel, M. M.; Raveau, B.
Four New Mo(V) Phosphate Structures Built up of Isotypic Mo~12~MP~8~X~62~ Clusters
Journal of Solid State Chemistry
1,999
145
1
291
301
10.1006/jssc.1999.8268
null
null
0.036
null
null
0.036
null
null
null
null
null
null
null
null
null
has coordinates
Leclaire, A.; Guesdon, A.; Berrah, F.; Borel, M. M.; Raveau, B. Four New Mo(V) Phosphate Structures Built up of Isotypic Mo~12~MP~8~X~62~ Clusters Journal of Solid State Chemistry 145(1) (1999) 291-301
199,775
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-08-16 02:14:33 +0300 (Wed, 16 Aug 2017) $ #$Revision: 199775 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/01/2000114.cif $ #-------------------------------------------------------------------...
2,000,115
11.82
0.001
13.248
0.001
14.794
0.001
68.593
0.006
82.067
0.007
87.372
0.008
2,136.13
null
null
null
null
null
null
null
null
null
7
P -1
-P 1
2
- C24 H98.6 Cd3 Mo12 N6 O73.3 P8 -
- C32 Cd9 Mo24 N8 O140 P16 -
- C32 Cd9 Mo24 N8 O140 P16 -
1
0.5
Leclaire, A.; Guesdon, A.; Berrah, F.; Borel, M. M.; Raveau, B.
Four New Mo(V) Phosphate Structures Built up of Isotypic Mo~12~MP~8~X~62~ Clusters
Journal of Solid State Chemistry
1,999
145
1
291
301
10.1006/jssc.1999.8268
null
null
0.036
null
null
0.036
null
null
null
null
null
null
null
null
null
has coordinates
Leclaire, A.; Guesdon, A.; Berrah, F.; Borel, M. M.; Raveau, B. Four New Mo(V) Phosphate Structures Built up of Isotypic Mo~12~MP~8~X~62~ Clusters Journal of Solid State Chemistry 145(1) (1999) 291-301
199,775
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-08-16 02:14:33 +0300 (Wed, 16 Aug 2017) $ #$Revision: 199775 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/01/2000115.cif $ #-------------------------------------------------------------------...
2,000,116
11.535
0.001
14.344
0.001
14.5
0.002
67.772
0.008
71.517
0.009
76.728
0.007
2,089.8
null
null
null
null
null
null
null
null
null
7
P -1
-P 1
2
- C8 H58 Mo12 N2 O74 P8 Zn3 -
- C16 Mo24 N4 O144 P16 Zn9 -
- C16 Mo24 N4 O144 P16 Zn9 -
1
0.5
Leclaire, A.; Guesdon, A.; Berrah, F.; Borel, M. M.; Raveau, B.
Four New Mo(V) Phosphate Structures Built up of Isotypic Mo~12~MP~8~X~62~ Clusters
Journal of Solid State Chemistry
1,999
145
1
291
301
10.1006/jssc.1999.8268
null
null
0.055
null
null
0.055
null
null
null
null
null
null
null
null
null
has coordinates
Leclaire, A.; Guesdon, A.; Berrah, F.; Borel, M. M.; Raveau, B. Four New Mo(V) Phosphate Structures Built up of Isotypic Mo~12~MP~8~X~62~ Clusters Journal of Solid State Chemistry 145(1) (1999) 291-301
199,775
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-08-16 02:14:33 +0300 (Wed, 16 Aug 2017) $ #$Revision: 199775 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/01/2000116.cif $ #-------------------------------------------------------------------...
2,000,117
12.34
0.002
12.596
0.001
14.717
0.002
107.239
0.008
89.83
0.01
114.313
0.008
1,972.29
null
null
null
null
null
null
null
null
null
8
P -1
-P 1
2
- C16 H80 Cd3 Mo12 N4 Na2 O72 P8 -
- C16 Cd5 Mo12 N4 Na2 O84 P8 -
- C16 Cd5 Mo12 N4 Na2 O84 P8 -
1
0.5
Guesdon, A.; Borel, M. M.; Leclaire, A.; Raveau, B.
Two New Closely Related MoV Hydroxymonophosphates Built Up of Cd[Mo~6~P~4~O~25~(OH)~6~]~2~ And Cd[Mo~6~P~4~O~26~(OH)~5~]~2~ Clusters
Chemistry - A European Journal
1,997
3
11
1797
1800
10.1002/chem.19970031111
null
null
0.034
null
null
0.034
null
null
null
null
null
null
null
null
null
has coordinates
Guesdon, A.; Borel, M. M.; Leclaire, A.; Raveau, B. Two New Closely Related MoV Hydroxymonophosphates Built Up of Cd[Mo~6~P~4~O~25~(OH)~6~]~2~ And Cd[Mo~6~P~4~O~26~(OH)~5~]~2~ Clusters Chemistry - A European Journal 3(11) (1997) 1797-1800
199,775
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-08-16 02:14:33 +0300 (Wed, 16 Aug 2017) $ #$Revision: 199775 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/01/2000117.cif $ #-------------------------------------------------------------------...
2,000,118
11.943
0.001
13.339
0.002
26.765
0.003
85.33
0.01
86.87
0.01
64.08
0.01
3,821.36
null
null
null
null
null
null
null
null
null
7
P -1
-P 1
2
- C32 H148 Cd9 Mo24 N8 O139 P16 -
- C32 Cd12 Mo24 N8 O154 P16 -
- C32 Cd12 Mo24 N8 O154 P16 -
1
0.5
Guesdon, A.; Borel, M. M.; Leclaire, A.; Raveau, B.
Two New Closely Related MoV Hydroxymonophosphates Built Up of Cd[Mo~6~P~4~O~25~(OH)~6~]~2~ And Cd[Mo~6~P~4~O~26~(OH)~5~]~2~ Clusters
Chemistry - A European Journal
1,997
3
11
1797
1800
10.1002/chem.19970031111
null
null
0.04
null
null
0.04
null
null
null
null
null
null
null
null
null
has coordinates
Guesdon, A.; Borel, M. M.; Leclaire, A.; Raveau, B. Two New Closely Related MoV Hydroxymonophosphates Built Up of Cd[Mo~6~P~4~O~25~(OH)~6~]~2~ And Cd[Mo~6~P~4~O~26~(OH)~5~]~2~ Clusters Chemistry - A European Journal 3(11) (1997) 1797-1800
199,775
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-08-16 02:14:33 +0300 (Wed, 16 Aug 2017) $ #$Revision: 199775 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/01/2000118.cif $ #-------------------------------------------------------------------...
7,015,074
10.359
0.0012
11.786
0.0014
12.513
0.0014
65.003
0.001
70.155
0.001
83.231
0.002
1,301.8
0.3
293
2
293
2
null
null
null
null
5
P -1
-P 1
2
- C18 H19 Mo4 N6 O14 -
- C18 H17 Mo4 N6 O14 -
- C36 H34 Mo8 N12 O28 -
2
1
Zang, Hong-Ying; Lan, Ya-Qian; Li, Shun-Li; Yang, Guang-Sheng; Shao, Kui-Zhan; Wang, Xin-Long; Yan, Li-Kai; Su, Zhong-Min
Step-wise synthesis of inorganic-organic hybrid based on γ-octamolybdate-based tectons.
Dalton transactions (Cambridge, England : 2003)
2,011
40
13
3176
3182
10.1039/c0dt00656d
0.71069
MoKα
0.0548
0.0375
null
null
0.0748
0.0821
null
null
null
null
null
1.022
null
null
has coordinates
Zang, Hong-Ying; Lan, Ya-Qian; Li, Shun-Li; Yang, Guang-Sheng; Shao, Kui-Zhan; Wang, Xin-Long; Yan, Li-Kai; Su, Zhong-Min Step-wise synthesis of inorganic-organic hybrid based on γ-octamolybdate-based tectons. Dalton transactions (Cambridge, England : 2003) 40(13) (2011) 3176-3182
179,854
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-25 13:37:44 +0200 (Fri, 25 Mar 2016) $ #$Revision: 179854 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/50/7015074.cif $ #-------------------------------------------------------------------...
2,000,119
11.1
0.01
17.51
0.02
9.09
0.01
90
null
118.62
0.05
90
null
1,550.87
null
null
null
null
null
null
null
null
null
4
P 1 21/c 1
-P 2ybc
14
- C8 H28 Mn2 O16 -
- C10.6667 Mn4.66667 O22.6667 -
- C32 Mn14 O68 -
3
0.75
Bertaut, E. F.; Duc, T. Q.; Burlet, P.; Burlet, P.; Thomas, M.; Moreau, J. M.
Crystal structure of manganese acetate tetrahydrate
Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry
1,974
30
9
2234
2236
10.1107/S0567740874006807
null
null
0.049
null
null
0.049
null
null
null
null
null
null
null
null
null
has coordinates
Bertaut, E. F.; Duc, T. Q.; Burlet, P.; Burlet, P.; Thomas, M.; Moreau, J. M. Crystal structure of manganese acetate tetrahydrate Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry 30(9) (1974) 2234-2236
199,647
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-08-08 17:13:02 +0300 (Tue, 08 Aug 2017) $ #$Revision: 199647 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/01/2000119.cif $ #-------------------------------------------------------------------...
2,000,120
6.488
0.003
9.873
0.007
9.999
0.006
130.11
0.04
87.1
0.04
100.32
0.05
480.141
null
null
null
null
null
null
null
null
null
5
P -1
-P 1
2
- C6 H8 N2 O7 Zn -
- C12 H14 N4 O15 Zn4 -
- C24 H28 N8 O30 Zn8 -
2
1
Richard, P.; Qui, D. T.; Bertaut, E. F.
Structure cristalline du polychélate Zn-2,3-PYD.3H2O
Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry
1,974
30
3
628
633
10.1107/S0567740874003438
null
null
0.05
null
null
0.05
null
null
null
null
null
null
null
null
null
has coordinates
Richard, P.; Qui, D. T.; Bertaut, E. F. Structure cristalline du polychélate Zn-2,3-PYD.3H2O Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry 30(3) (1974) 628-633
199,647
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-08-08 17:13:02 +0300 (Tue, 08 Aug 2017) $ #$Revision: 199647 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/01/2000120.cif $ #-------------------------------------------------------------------...
2,000,121
8.037
0.003
13.977
0.005
15.478
0.005
90
null
90
null
90
null
1,738.69
null
null
null
null
null
null
null
null
null
5
P c c a
-P 2a 2ac
54
- C12 H12 Co2 N4 O12 -
- C24 H24 Co6 N10 O26 -
- C96 H96 Co24 N40 O104 -
4
0.5
Richard, P.; Qui, D. T.; Bertaut, E. F.
Structure cristalline du polychélate Co-2,3-PYD.3H2O
Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry
1,973
29
5
1111
1115
10.1107/S056774087300395X
null
null
0.034
null
null
0.034
null
null
null
null
null
null
null
null
null
has coordinates
Richard, P.; Qui, D. T.; Bertaut, E. F. Structure cristalline du polychélate Co-2,3-PYD.3H2O Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry 29(5) (1973) 1111-1115
199,647
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-08-08 17:13:02 +0300 (Tue, 08 Aug 2017) $ #$Revision: 199647 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/01/2000121.cif $ #-------------------------------------------------------------------...
2,000,122
17
null
7.323
null
6.168
null
90
null
90
null
90
null
767.86
null
null
null
null
null
null
null
null
null
3
P b c a
-P 2ac 2ab
61
- C6 D4 I2 -
- C12 D8 I4 -
- C48 D32 I16 -
4
0.5
Alcobé, Xavier; Estop, Eugènia; Aliev, Abil E.; Harris, Kenneth D. M.; Rodríguez-Carvajal, Juan; Rius, Jordi
Temperature-Dependent Structural Properties of p-Diiodobenzene: Neutron Diffraction and High-Resolution Solid State 13C NMR Investigations
Journal of Solid State Chemistry
1,994
110
1
20
27
10.1006/jssc.1994.1129
neutron
null
null
0.121
null
null
0.121
null
null
null
null
null
null
null
null
null
has coordinates
Alcobé, Xavier; Estop, Eugènia; Aliev, Abil E.; Harris, Kenneth D. M.; Rodríguez-Carvajal, Juan; Rius, Jordi Temperature-Dependent Structural Properties of p-Diiodobenzene: Neutron Diffraction and High-Resolution Solid State 13C NMR Investigations Journal of Solid State Chemistry 110(1) (1994) 20-27
199,775
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-08-16 02:14:33 +0300 (Wed, 16 Aug 2017) $ #$Revision: 199775 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/01/2000122.cif $ #-------------------------------------------------------------------...
2,000,123
17.092
null
7.461
null
6.154
null
90
null
90
null
90
null
784.779
null
null
null
333
null
null
null
null
null
3
P c c n
-P 2ab 2ac
56
- C6 D4 I2 -
- C12 D8 I4 -
- C48 D32 I16 -
4
0.5
Alcobé, Xavier; Estop, Eugènia; Aliev, Abil E.; Harris, Kenneth D. M.; Rodríguez-Carvajal, Juan; Rius, Jordi
Temperature-Dependent Structural Properties of p-Diiodobenzene: Neutron Diffraction and High-Resolution Solid State 13C NMR Investigations
Journal of Solid State Chemistry
1,994
110
1
20
27
10.1006/jssc.1994.1129
neutron
null
null
0.131
null
null
0.131
null
null
null
null
null
null
null
null
null
has coordinates
Alcobé, Xavier; Estop, Eugènia; Aliev, Abil E.; Harris, Kenneth D. M.; Rodríguez-Carvajal, Juan; Rius, Jordi Temperature-Dependent Structural Properties of p-Diiodobenzene: Neutron Diffraction and High-Resolution Solid State 13C NMR Investigations Journal of Solid State Chemistry 110(1) (1994) 20-27
199,775
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-08-16 02:14:33 +0300 (Wed, 16 Aug 2017) $ #$Revision: 199775 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/01/2000123.cif $ #-------------------------------------------------------------------...
2,000,124
10.283
0.011
12.096
0.012
16.911
0.019
76.07
0.11
72.38
0.07
65.2
0.07
1,804.07
null
null
null
293
null
null
null
null
null
7
P -1
-P 1
2
catena-(3-(2-Ammonioethylammonio)propylammonium Mu-17)
- C10 H39 F2 Ga6 N6 O30 P7 -
- C10 H39 F3 Ga12 N6 O39 P7 -
- C20 H78 F6 Ga24 N12 O78 P14 -
2
1
Matijasic, Alain; Gramlich, Volker; Patarin, Joël
Mu-17: a new member of the gallophosphate family prepared by the fluoride route
Solid State Sciences
2,001
3
1-2
155
167
10.1016/S1293-2558(00)01122-5
null
null
0.0316
null
null
0.0316
null
null
null
null
null
null
null
null
null
has coordinates
Matijasic, Alain; Gramlich, Volker; Patarin, Joël Mu-17: a new member of the gallophosphate family prepared by the fluoride route Solid State Sciences 3(1-2) (2001) 155-167
199,775
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-08-16 02:14:33 +0300 (Wed, 16 Aug 2017) $ #$Revision: 199775 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/01/2000124.cif $ #-------------------------------------------------------------------...
2,000,125
20.0746
0.0002
20.0746
0.0002
8.5839
0.0001
90
null
90
null
120
null
2,995.77
null
null
null
null
null
null
null
null
null
7
P 3
P 3
143
- C22 H52 F4 Ga4 N4 O16 P4 -
- C22 H52 F10 Ga11 N4 O47 P10 -
- C66 H156 F30 Ga33 N12 O141 P30 -
3
1
Reinert, P.; Patarin, J.; Loiseau, T.; Férey, G.; Kessler, H.
Synthesis, characterization and structure determination of a new fluorogallophosphate (Mu-3) prepared in the presence of ethylene glycol as main solvent
Microporous and Mesoporous Materials
1,998
22
1-3
43
55
10.1016/S1387-1811(98)00085-7
null
null
0.0576
null
null
0.0576
null
null
null
null
null
null
null
null
null
has coordinates
Reinert, P.; Patarin, J.; Loiseau, T.; Férey, G.; Kessler, H. Synthesis, characterization and structure determination of a new fluorogallophosphate (Mu-3) prepared in the presence of ethylene glycol as main solvent Microporous and Mesoporous Materials 22(1-3) (1998) 43-55
199,775
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-08-16 02:14:33 +0300 (Wed, 16 Aug 2017) $ #$Revision: 199775 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/01/2000125.cif $ #-------------------------------------------------------------------...
2,000,126
8.632
0.004
9.267
0.007
17.461
0.01
86.66
0.05
82.2
0.04
89.28
0.05
1,381.46
null
null
null
null
null
null
null
null
null
6
P -1
-P 1
2
- C8 H27.5 Al4 N2 O21.25 P5 -
- C8 H29 Al6 N2 O27.5 P7 -
- C16 H58 Al12 N4 O55 P14 -
2
1
Vidal, L.; Gramlich, V.; Patarin, J.; Gabelica, Z.
Synthesis and structure of Mu-4, the new layered aluminophosphate [(C~2~H~5~)~2~NH~2~]~4~[Al~8~P~10~O~40~H~2~] · [H~2~O]~2.5~
European Journal of Solid State and Inorganic Chemistry
1,998
35
8-9
545
563
10.1016/S0992-4361(99)80018-6
null
null
0.0456
null
null
0.0456
null
null
null
null
null
null
null
null
null
has coordinates
Vidal, L.; Gramlich, V.; Patarin, J.; Gabelica, Z. Synthesis and structure of Mu-4, the new layered aluminophosphate [(C~2~H~5~)~2~NH~2~]~4~[Al~8~P~10~O~40~H~2~] · [H~2~O]~2.5~ European Journal of Solid State and Inorganic Chemistry 35(8-9) (1998) 545-563
182,181
2020-10-21
18:00:00
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2,000,127
8.368
0.007
11.274
0.01
11.462
0.012
72.4
0.07
89.45
0.08
85.37
0.07
1,027.23
null
null
null
null
null
null
null
null
null
6
P -1
2
- C3 H18 Al3 N3 O16 P4 -
2
1
Vidal, L.; Gramlich, V.; Patarin, J.; Gabelica, Z.
Synthesis, Characterization and Structure of Mu-7, a New Layered Aluminophosphate with a 4 × 8 Network
Chemical Letters
1,999
28
3
201
202
10.1246/cl.1999.201
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
Vidal, L.; Gramlich, V.; Patarin, J.; Gabelica, Z. Synthesis, Characterization and Structure of Mu-7, a New Layered Aluminophosphate with a 4 × 8 Network Chemical Letters 28(3) (1999) 201-202
174,552
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-01-19 05:00:58 +0200 (Tue, 19 Jan 2016) $ #$Revision: 174552 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/01/2000127.cif $ #-------------------------------------------------------------------...
2,000,128
8.368
0.007
11.274
0.01
11.462
0.012
72.4
0.07
89.45
0.08
85.35
0.07
1,027.2
null
null
null
null
null
null
null
null
null
6
P -1
-P 1
2
- C3 H18 Al3 N3 O16 P4 -
- C3 H18 Al6 N3 O20 P4 -
- C6 H36 Al12 N6 O40 P8 -
2
1
Vidal, L.; Marichal, C.; Gramlich, V.; Patarin, J.; Gabelica, Z.
Mu-7, a New Layered Aluminophosphate [CH~3~NH~3~]~3~[Al~3~P~4~O~16~] with a 4 × 8 Network: Characterization, Structure, and Possible Crystallization Mechanism
Chemistry of Materials
1,999
11
10
2728
2736
10.1021/cm991027o
null
null
0.0372
null
null
0.0372
null
null
null
null
null
null
null
null
null
has coordinates
Vidal, L.; Marichal, C.; Gramlich, V.; Patarin, J.; Gabelica, Z. Mu-7, a New Layered Aluminophosphate [CH~3~NH~3~]~3~[Al~3~P~4~O~16~] with a 4 × 8 Network: Characterization, Structure, and Possible Crystallization Mechanism Chemistry of Materials 11(10) (1999) 2728-2736
178,247
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-18 00:35:04 +0200 (Fri, 18 Mar 2016) $ #$Revision: 178247 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/01/2000128.cif $ #-------------------------------------------------------------------...
2,000,129
16.3782
0.0002
16.3782
0.0002
16.3782
0.0002
90
null
90
null
90
null
4,393.38
null
null
null
null
null
null
null
null
null
7
I 2 3
I 2 2 3
197
- C54 H166 F6 Ga32 N12 O148 P32 -
- C156 H12 F128 Ga1192 O4320 P1576 -
- C156 H12 F128 Ga1192 O4320 P1576 -
1
0.041667
Reinert, P.; Marler, B.; Patarin, J.
Synthesis and characterization of the new microporous fluorogallophosphate Mu-2 with a novel framework topology
Chemical Communications
1,998
null
16
1769
1770
10.1039/a803423k
null
null
0.077
null
null
0.077
null
null
null
null
null
null
null
null
null
has coordinates
Reinert, P.; Marler, B.; Patarin, J. Synthesis and characterization of the new microporous fluorogallophosphate Mu-2 with a novel framework topology Chemical Communications (issue 16) (1998) 1769-1770
199,775
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-08-16 02:14:33 +0300 (Wed, 16 Aug 2017) $ #$Revision: 199775 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/01/2000129.cif $ #-------------------------------------------------------------------...
2,000,130
12.645
0.0007
10.8477
0.0005
14.6311
0.0004
90
null
98.793
0.005
90
null
1,983.35
null
null
null
null
null
null
null
null
null
6
C 1 c 1
C -2yc
9
- C16 H96 N8 O68 P16 Zn8 -
- C16 H88 N8 O64 P16 Zn8 -
- C16 H88 N8 O64 P16 Zn8 -
1
0.25
Reinert, P.; Zabukovec Logar, N.; Patarin, J.; Kaucic, V.
Synthesis and structure of [Zn~8~(HPO~4~)~8~(H~2~PO~4~)~8~] · [(C~2~H~8~N)~8~] · 4H~2~O
European Journal of Solid State and Inorganic Chemistry
1,998
35
4-5
373
387
10.1016/S0992-4361(98)80433-5
null
null
0.062
null
null
0.062
null
null
null
null
null
null
null
1,004,025
null
has coordinates
Reinert, P.; Zabukovec Logar, N.; Patarin, J.; Kaucic, V. Synthesis and structure of [Zn~8~(HPO~4~)~8~(H~2~PO~4~)~8~] · [(C~2~H~8~N)~8~] · 4H~2~O European Journal of Solid State and Inorganic Chemistry 35(4-5) (1998) 373-387
205,545
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2018-01-24 12:43:27 +0200 (Wed, 24 Jan 2018) $ #$Revision: 205545 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/01/2000130.cif $ #-------------------------------------------------------------------...
2,000,131
8.932
0.001
9.693
0.001
13.503
0.002
90
null
96.01
0.01
90
null
1,162.64
null
null
null
null
null
null
null
null
null
6
P 1 21/c 1
-P 2ybc
14
- C6 H30 N2 O20 P4 Zn3 -
- C12 H60 N4 O48 P8 Zn11 -
- C24 H120 N8 O96 P16 Zn22 -
2
0.5
Reinert, P.; Khatyr, A.; Marler, B.; Patarin, J.
Synthesis and structure of [Zn~6~(H~2~O)~8~(HPO~4~)~4~(HPO~3~O)~4~] · 2[H~2~N~2~C~6~H~16~]
European Journal of Solid State and Inorganic Chemistry
1,997
34
11
1211
1225
null
null
0.035
null
null
0.035
null
null
null
null
null
null
null
null
null
has coordinates
Reinert, P.; Khatyr, A.; Marler, B.; Patarin, J. Synthesis and structure of [Zn~6~(H~2~O)~8~(HPO~4~)~4~(HPO~3~O)~4~] · 2[H~2~N~2~C~6~H~16~] European Journal of Solid State and Inorganic Chemistry 34(11) (1997) 1211-1225
182,181
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-04-17 16:45:36 +0300 (Sun, 17 Apr 2016) $ #$Revision: 182181 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/01/2000131.cif $ #-------------------------------------------------------------------...
2,000,132
14.226
0.002
15.117
0.002
17.557
0.002
90
null
90
null
90
null
3,775.71
null
null
null
null
null
null
null
null
null
7
P b c a
-P 2ac 2ab
61
- C32 H98 Al24 N8 O129 P32 Zn8 -
- C32 Al64 N8 O200 P64 Zn8 -
- C32 Al64 N8 O200 P64 Zn8 -
1
0.125
Marler, Bernd; Patarin, Joel; Sierra, Ligia
Crystal structure of a novel porous MeAPO phase: ZAPO-M1, {N(CH~3~)~4~}~8~[Zn~8~Al~24~P~32~O~128~]
Microporous Materials
1,995
5
3
151
159
10.1016/0927-6513(95)00056-F
null
null
0.069
null
null
0.069
null
null
null
null
null
null
null
null
null
has coordinates
Marler, Bernd; Patarin, Joel; Sierra, Ligia Crystal structure of a novel porous MeAPO phase: ZAPO-M1, {N(CH~3~)~4~}~8~[Zn~8~Al~24~P~32~O~128~] Microporous Materials 5(3) (1995) 151-159
199,775
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-08-16 02:14:33 +0300 (Wed, 16 Aug 2017) $ #$Revision: 199775 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/01/2000132.cif $ #-------------------------------------------------------------------...
2,000,133
10.043
0.007
10.043
0.007
13.828
0.01
90
null
90
null
90
null
1,394.7
1.7
293
2
293
2
null
null
null
null
7
P 42/n c m :2
-P 4ac 2ac
138
- C2 H16 F3 Ga3 N2 O12 P2 -
- C2 H16 F3 Ga3 N2 O12 P2 -
- C8 H64 F12 Ga12 N8 O48 P8 -
4
0.25
Matijasic, Alain; Gramlich, Volker; Patarin, Joël
Further evidence of the efficiency of the fluoride route illustrated by the hydrothermal synthesis and crystal structure of the hydroxyfluorogallophosphate Mu-20
Journal of Materials Chemistry
2,001
11
10
2553
10.1039/b102263f
1.54178
CuKα
0.0354
0.0322
null
0.0938
0.0916
null
null
null
1.259
1.296
1.296
null
null
null
has coordinates
Matijasic, Alain; Gramlich, Volker; Patarin, Joël Further evidence of the efficiency of the fluoride route illustrated by the hydrothermal synthesis and crystal structure of the hydroxyfluorogallophosphate Mu-20 Journal of Materials Chemistry 11(10) (2001) 2553
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/2/00/01/2000133.cif $ #-------------------------------------------------------------------...
7,015,073
11.688
0.005
12.312
0.005
13.805
0.005
104.595
0.005
99.753
0.005
111.665
0.005
1,708.9
1.2
293
2
293
2
null
null
null
null
6
P -1
-P 1
2
- C24 H24 Cu2 Mo4 N12 O13 -
- C24 H24 Cu2 Mo4 N12 O13 -
- C48 H48 Cu4 Mo8 N24 O26 -
2
1
Zang, Hong-Ying; Lan, Ya-Qian; Li, Shun-Li; Yang, Guang-Sheng; Shao, Kui-Zhan; Wang, Xin-Long; Yan, Li-Kai; Su, Zhong-Min
Step-wise synthesis of inorganic-organic hybrid based on γ-octamolybdate-based tectons.
Dalton transactions (Cambridge, England : 2003)
2,011
40
13
3176
3182
10.1039/c0dt00656d
0.71069
MoKα
0.0481
0.0369
null
null
0.0867
0.0929
null
null
null
null
null
1.038
null
null
has coordinates
Zang, Hong-Ying; Lan, Ya-Qian; Li, Shun-Li; Yang, Guang-Sheng; Shao, Kui-Zhan; Wang, Xin-Long; Yan, Li-Kai; Su, Zhong-Min Step-wise synthesis of inorganic-organic hybrid based on γ-octamolybdate-based tectons. Dalton transactions (Cambridge, England : 2003) 40(13) (2011) 3176-3182
179,854
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-25 13:37:44 +0200 (Fri, 25 Mar 2016) $ #$Revision: 179854 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/50/7015073.cif $ #-------------------------------------------------------------------...
2,000,134
10.54
0.001
10.05
0.003
14.37
0.003
90
null
90
null
90
null
1,522.17
null
null
null
null
null
null
null
null
null
6
P n a 21
P 2c -2n
33
- C6 H17 N2 O12 P3 Zn2 -
- C6 N2 O16 P3 Zn6 -
- C24 N8 O64 P12 Zn24 -
4
1
Ahmadi, K.; Hardy, A.; Patarin, A.; Huve, L.
Synthesis and structure of Zn~2~(HPO~4~)~3~ · H~2~N~2~C~6~H~12~
European Journal of Solid State and Inorganic Chemistry
1,995
32
3
209
223
null
null
0.035
null
null
0.035
null
null
null
null
null
null
null
null
null
has coordinates
Ahmadi, K.; Hardy, A.; Patarin, A.; Huve, L. Synthesis and structure of Zn~2~(HPO~4~)~3~ · H~2~N~2~C~6~H~12~ European Journal of Solid State and Inorganic Chemistry 32(3) (1995) 209-223
182,181
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-04-17 16:45:36 +0300 (Sun, 17 Apr 2016) $ #$Revision: 182181 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/01/2000134.cif $ #-------------------------------------------------------------------...
2,000,135
9.777
0.002
10.64
0.002
15.384
0.003
90
null
90
null
90
null
1,600.36
null
null
null
null
null
null
null
null
null
6
P 21 21 21
P 2ac 2ab
19
catena-(dabconium tris(phosphato)-zinc)
- C6 H19 N2 O12 P3 Zn -
- C6 H19 N2 O12 P3 Zn -
- C24 H76 N8 O48 P12 Zn4 -
4
1
Patarin, J.; Marler, B.; Huve, L.
Synthesis and structure of Zn(H2PO4)(2)(HPO4).H2N2C6H12
European Journal of Solid State and Inorganic Chemistry
1,994
31
10
909
920
null
null
0.06
null
null
0.06
null
null
null
null
null
null
null
null
null
has coordinates
Patarin, J.; Marler, B.; Huve, L. Synthesis and structure of Zn(H2PO4)(2)(HPO4).H2N2C6H12 European Journal of Solid State and Inorganic Chemistry 31(10) (1994) 909-920
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/2/00/01/2000135.cif $ #-------------------------------------------------------------------...
2,000,136
16.42
0.005
8.545
0.002
19.001
0.004
90
null
90.3
0.01
90
null
2,666
1.2
null
null
null
null
null
null
null
null
6
P 1 21/c 1
-P 2ybc
null
- C11 H12 Cl2 Cu N2 O3 -
- C11 H12 Cl2 Cu N2 O3 -
- C88 H96 Cl16 Cu8 N16 O24 -
8
2
MU0245
Koman, M.; Baran, P.; Valigura, D.
Structure of (2,2'-bipyridine <i>N</i>,<i>N</i>'-dioxide)dichloro(methanol)copper(II), [Cu(bpyO~2~)(MeOH)Cl~2~]
Acta Crystallographica Section C
1,991
47
12
2529
2531
10.1107/S0108270191007424
1.54178
Cu
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Koman, M.; Baran, P.; Valigura, D. Structure of (2,2'-bipyridine <i>N</i>,<i>N</i>'-dioxide)dichloro(methanol)copper(II), [Cu(bpyO~2~)(MeOH)Cl~2~] Acta Crystallographica Section C 47(12) (1991) 2529-2531
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/2/00/01/2000136.cif $ #-------------------------------------------------------------------...
2,000,137
11.341
0.001
16.551
0.001
16.429
0.001
90
null
92.11
0.006
90
null
3,081.7
0.4
null
null
null
null
null
null
null
null
7
P 1 21/c 1
-P 2ybc
null
- C20 H20 Co3 I In N O12 -
- C20 H20 Co3 I In N O12 -
- C80 H80 Co12 I4 In4 N4 O48 -
4
1
MU0266
Clarkson, L. M.; Farrugia, L. J.; Norman, N. C.
Structure of [Et~4~N][InI{Co(CO)~4~}~3~]
Acta Crystallographica Section C
1,991
47
12
2525
2526
10.1107/S0108270191007795
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Clarkson, L. M.; Farrugia, L. J.; Norman, N. C. Structure of [Et~4~N][InI{Co(CO)~4~}~3~] Acta Crystallographica Section C 47(12) (1991) 2525-2526
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/2/00/01/2000137.cif $ #-------------------------------------------------------------------...
2,000,138
9.2
0.001
8.658
0.001
12.654
0.001
90
null
98.82
0.01
90
null
996.02
0.18
null
null
null
null
null
null
null
null
5
P 1 21/c 1
-P 2ybc
null
- C16 H18 N8 Ni O6 -
- C16 H18 N8 Ni O6 -
- C32 H36 N16 Ni2 O12 -
2
0.5
AB0218
Ciunik, Z.; Wolny, J. A.; Rudolf, M. F.
Structure of bis(1-ethyl-3-<i>p</i>-nitrophenyltriazene 1-oxide)nickel(II)
Acta Crystallographica Section C
1,991
47
12
2539
2541
10.1107/S0108270191006613
1.5418
Cu
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Ciunik, Z.; Wolny, J. A.; Rudolf, M. F. Structure of bis(1-ethyl-3-<i>p</i>-nitrophenyltriazene 1-oxide)nickel(II) Acta Crystallographica Section C 47(12) (1991) 2539-2541
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/2/00/01/2000138.cif $ #-------------------------------------------------------------------...
2,000,139
17.992
0.002
10.612
0.001
9.373
0.001
90
null
94.22
0.02
90
null
1,784.7
0.3
null
null
null
null
null
null
null
null
6
C 1 2/m 1
-C 2y
null
- C16 H12 As F6 O4 S2 -
- C20 H20 As F12 O4 S2 -
- C80 H80 As4 F48 O16 S8 -
4
0.5
AB0221
Noreland, J.; Olovsson, G.; Olovsson, I.
Structure of the organic semiconducting radical cation salt [2,3;7,8-bis(ethylenedioxy)thianthrene] hexafluoroarsenate
Acta Crystallographica Section C
1,991
47
12
2542
2545
10.1107/S0108270191007849
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Noreland, J.; Olovsson, G.; Olovsson, I. Structure of the organic semiconducting radical cation salt [2,3;7,8-bis(ethylenedioxy)thianthrene] hexafluoroarsenate Acta Crystallographica Section C 47(12) (1991) 2542-2545
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/2/00/01/2000139.cif $ #-------------------------------------------------------------------...
2,000,140
10.973
0.001
11.875
0.001
14.211
0.001
108.03
0.01
105.41
0.01
100.92
0.01
1,621.3
0.3
null
null
null
null
null
null
null
null
4
P -1
-P 1
2
- C37 H47 N4 Rh -
- C37 H47 N4 Rh -
- C74 H94 N8 Rh2 -
2
1
AS0498
Whang, D.; Kim, K.
Structure of a new form of octaethylporphyrinato(methyl)rhodium(III)
Acta Crystallographica Section C
1,991
47
12
2547
2550
10.1107/S0108270191008053
0.7093
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates,has disorder
Whang, D.; Kim, K. Structure of a new form of octaethylporphyrinato(methyl)rhodium(III) Acta Crystallographica Section C 47(12) (1991) 2547-2550
278,247
2022-09-28
15:09:31
#------------------------------------------------------------------------------ #$Date: 2022-09-28 18:08:17 +0300 (Wed, 28 Sep 2022) $ #$Revision: 278247 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/01/2000140.cif $ #-------------------------------------------------------------------...
7,015,072
10.171
0.0014
10.66
0.0015
10.998
0.0015
102.647
0.002
113.809
0.002
108.044
0.002
952.8
0.2
293
2
293
2
null
null
null
null
5
P -1
-P 1
2
- C16 H28 Mo8 N8 O30 -
- C16 H20 Mo8 N8 O30 -
- C16 H20 Mo8 N8 O30 -
1
0.5
Zang, Hong-Ying; Lan, Ya-Qian; Li, Shun-Li; Yang, Guang-Sheng; Shao, Kui-Zhan; Wang, Xin-Long; Yan, Li-Kai; Su, Zhong-Min
Step-wise synthesis of inorganic-organic hybrid based on γ-octamolybdate-based tectons.
Dalton transactions (Cambridge, England : 2003)
2,011
40
13
3176
3182
10.1039/c0dt00656d
0.71069
MoKα
0.0453
0.0363
null
null
0.0907
0.0964
null
null
null
null
null
1.023
null
null
has coordinates
Zang, Hong-Ying; Lan, Ya-Qian; Li, Shun-Li; Yang, Guang-Sheng; Shao, Kui-Zhan; Wang, Xin-Long; Yan, Li-Kai; Su, Zhong-Min Step-wise synthesis of inorganic-organic hybrid based on γ-octamolybdate-based tectons. Dalton transactions (Cambridge, England : 2003) 40(13) (2011) 3176-3182
179,854
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-25 13:37:44 +0200 (Fri, 25 Mar 2016) $ #$Revision: 179854 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/50/7015072.cif $ #-------------------------------------------------------------------...
2,000,141
6.455
0.009
19.99
0.006
16.43
0.01
90
null
101.4
1
90
null
2,078
8
null
null
null
null
null
null
null
null
5
P 1 21/c 1
-P 2ybc
null
- C18 H28 N4 S Se2 -
- C18 H28 N4 S Se2 -
- C72 H112 N16 S4 Se8 -
4
1
HU0351
Billing, D. G.; Boeyens, J. C. A.; Denner, L.; Hellyar, M. D.; Lai, L.-L.; Matthee, A. J.; Reid, D. H.
Structure of 2,3-dicyclohexyl-6,7-dihydro-5<i>H</i>-2aλ^4^-thia-2,3,4a,7a-tetraazacyclopent[<i>cd</i>]indene-1(2<i>H</i>),4(2<i>H</i>)-diselone
Acta Crystallographica Section C
1,991
47
12
2564
2567
10.1107/S0108270191004262
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Billing, D. G.; Boeyens, J. C. A.; Denner, L.; Hellyar, M. D.; Lai, L.-L.; Matthee, A. J.; Reid, D. H. Structure of 2,3-dicyclohexyl-6,7-dihydro-5<i>H</i>-2aλ^4^-thia-2,3,4a,7a-tetraazacyclopent[<i>cd</i>]indene-1(2<i>H</i>),4(2<i>H</i>)-diselone Acta Crystallographica Section C 47(12) (1991) 2564-2567
301,791
2025-08-18
23:14:58
#------------------------------------------------------------------------------ #$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/2/00/01/2000141.cif $ #-------------------------------------------------------------------...
2,000,142
5.163
0.002
23.472
0.013
5.458
0.003
90
null
97.08
0.04
90
null
656.4
0.6
null
null
null
null
null
null
null
null
4
P 1 21/n 1
-P 2yn
14
- C5 H8 N2 O2 -
- C5 H8 N2 O2 -
- C20 H32 N8 O8 -
4
1
LI0070
Fawcett, S. M.; Sawyer, L.; Blake, A. J.
Structure of β-ammoniumpropionitrile hemifumarate
Acta Crystallographica Section C
1,991
47
12
2569
2572
10.1107/S0108270191004420
1.54179
Cu
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Fawcett, S. M.; Sawyer, L.; Blake, A. J. Structure of β-ammoniumpropionitrile hemifumarate Acta Crystallographica Section C 47(12) (1991) 2569-2572
301,791
2025-08-18
23:14:58
#------------------------------------------------------------------------------ #$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/2/00/01/2000142.cif $ #-------------------------------------------------------------------...
2,000,143
7.1026
0.0009
9.404
0.002
21.372
0.002
90
null
108.246
0.009
90
null
1,355.7
0.4
null
null
null
null
null
null
null
null
4
P 1 21/c 1
-P 2ybc
null
- C12 H10 N6 O5 -
- C12 H10 N6 O5 -
- C48 H40 N24 O20 -
4
1
HE0016
Peters, D. A.; Beddoes, R. L.; Allway, P. A.; Joule, J. A.
Structure of 3-methoxypyrazine-2-carbaldehyde 2,4-dinitrophenylhydrazone
Acta Crystallographica Section C
1,991
47
12
2588
2591
10.1107/S0108270191005942
1.54178
Cu
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Peters, D. A.; Beddoes, R. L.; Allway, P. A.; Joule, J. A. Structure of 3-methoxypyrazine-2-carbaldehyde 2,4-dinitrophenylhydrazone Acta Crystallographica Section C 47(12) (1991) 2588-2591
301,791
2025-08-18
23:14:58
#------------------------------------------------------------------------------ #$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/2/00/01/2000143.cif $ #-------------------------------------------------------------------...
2,000,144
30.638
0.006
6.234
0.002
15.262
0.003
90
null
93.95
0.02
90
null
2,908.1
1.2
null
null
null
null
null
null
null
null
4
C 1 2 1
C 2y
null
- C32 H38 N2 O5 -
- C32 H38 N2 O5 -
- C128 H152 N8 O20 -
4
1
CR0326
Czerwinski, E. W.
Structure of cortivazol, 11β,17α,21-trihydroxy-6,16α-dimethyl-2'-phenyl-2'<i>H</i>-pregna-2,4,6-trieno[3,2-<i>c</i>]pyrazol-20-one 21-acetate
Acta Crystallographica Section C
1,991
47
12
2598
2603
10.1107/S0108270191006200
1.54184
Cu
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Czerwinski, E. W. Structure of cortivazol, 11β,17α,21-trihydroxy-6,16α-dimethyl-2'-phenyl-2'<i>H</i>-pregna-2,4,6-trieno[3,2-<i>c</i>]pyrazol-20-one 21-acetate Acta Crystallographica Section C 47(12) (1991) 2598-2603
301,791
2025-08-18
23:14:58
#------------------------------------------------------------------------------ #$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/2/00/01/2000144.cif $ #-------------------------------------------------------------------...
2,000,145
26.331
0.002
9.472
0.001
8.311
0.001
90
null
92.5
0.01
90
null
2,070.9
0.4
null
null
null
null
null
null
null
null
5
C 1 2 1
C 2y
null
- C20 H22 Br2 N2 O4 -
- C20 H22 Br2 N2 O4 -
- C80 H88 Br8 N8 O16 -
4
1
HA0043
Mackay, M. F.; Sengupta, S.; Lacey, E.; Burden, P.
Structures of colchicine analogues. IV. An aminodibromoallocolchicine, C~20~H~22~Br~2~N~2~O~4~
Acta Crystallographica Section C
1,991
47
12
2615
2618
10.1107/S0108270191006534
1.5418
Cu
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Mackay, M. F.; Sengupta, S.; Lacey, E.; Burden, P. Structures of colchicine analogues. IV. An aminodibromoallocolchicine, C~20~H~22~Br~2~N~2~O~4~ Acta Crystallographica Section C 47(12) (1991) 2615-2618
301,791
2025-08-18
23:14:58
#------------------------------------------------------------------------------ #$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/2/00/01/2000145.cif $ #-------------------------------------------------------------------...
2,000,146
4.301
0.001
22.832
0.003
16.531
0.002
90
null
95.09
0.01
90
null
1,616.9
0.5
null
null
null
null
null
null
null
null
4
P 1 21/c 1
-P 2ybc
null
- C18 H15 Cl O6 -
- C18 H15 Cl O6 -
- C72 H60 Cl4 O24 -
4
1
HA0068
Blaser, D.; Stoeckli-Evans, H.
Structure of pannarin: a natural depsidone
Acta Crystallographica Section C
1,991
47
12
2624
2626
10.1107/S010827019100776X
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Blaser, D.; Stoeckli-Evans, H. Structure of pannarin: a natural depsidone Acta Crystallographica Section C 47(12) (1991) 2624-2626
301,791
2025-08-18
23:14:58
#------------------------------------------------------------------------------ #$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/2/00/01/2000146.cif $ #-------------------------------------------------------------------...
2,000,147
11.219
0.008
12.136
0.007
12.324
0.007
90
null
90
null
90
null
1,678
1.8
null
null
null
null
null
null
null
null
4
P 21 21 21
P 2ac 2ab
null
- C14 H19 N3 O7 -
- C14 H19 N3 O7 -
- C56 H76 N12 O28 -
4
1
HA0047
Van Meervelt, L.
Structure of 3',5'-di-<i>O</i>-acetyl-<i>N</i>^4^-methoxycytosine
Acta Crystallographica Section C
1,991
47
12
2635
2637
10.1107/S0108270191007187
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Van Meervelt, L. Structure of 3',5'-di-<i>O</i>-acetyl-<i>N</i>^4^-methoxycytosine Acta Crystallographica Section C 47(12) (1991) 2635-2637
301,791
2025-08-18
23:14:58
#------------------------------------------------------------------------------ #$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/2/00/01/2000147.cif $ #-------------------------------------------------------------------...
7,015,071
12.2069
0.0014
35.572
0.004
9.9461
0.0012
90
null
107.068
0.002
90
null
4,128.6
0.8
150
2
150
2
null
null
null
null
8
P 1 21/c 1
-P 2ybc
14
- C40 H52 Cl N3 O5 P2 Ru Zn -
- C40 H52 Cl N3 O5 P2 Ru Zn -
- C160 H208 Cl4 N12 O20 P8 Ru4 Zn4 -
4
1
Mena-Cruz, Adrián; Lorenzo-Luis, Pablo; Passarelli, Vincenzo; Romerosa, Antonio; Serrano-Ruiz, Manuel
Comparative study of [RuClCp(HdmoPTA-κP)(PPh3)][CF3SO3] and the heterobimetallic complexes [RuClCp(PPh3)-μ-dmoPTA-1κP:2κ2N,N'-M(acac-κ2O,O')2] (M=Co, Ni, Zn; dmoPTA=3,7-dimethyl-1,3,7-triaza-5-phosphabicyclo[3.3.1]nonane).
Dalton transactions (Cambridge, England : 2003)
2,011
40
13
3237
3244
10.1039/c0dt00571a
0.71073
MoKα
0.0834
0.0773
null
null
0.1954
0.1984
null
null
null
null
null
1.204
null
null
has coordinates
Mena-Cruz, Adrián; Lorenzo-Luis, Pablo; Passarelli, Vincenzo; Romerosa, Antonio; Serrano-Ruiz, Manuel Comparative study of [RuClCp(HdmoPTA-κP)(PPh3)][CF3SO3] and the heterobimetallic complexes [RuClCp(PPh3)-μ-dmoPTA-1κP:2κ2N,N'-M(acac-κ2O,O')2] (M=Co, Ni, Zn; dmoPTA=3,7-dimethyl-1,3,7-triaza-5-phosphabicyclo[3.3.1]nona...
179,854
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-25 13:37:44 +0200 (Fri, 25 Mar 2016) $ #$Revision: 179854 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/50/7015071.cif $ #-------------------------------------------------------------------...
2,000,148
8.021
0.001
9.952
0.002
7.995
0.002
103.05
0.02
104.37
0.01
90.08
0.01
601.2
0.2
null
null
null
null
null
null
null
null
2
P -1
-P 1
2
- I4 Te4 -
- I4 Te4 -
- I8 Te8 -
2
1
HE0011
Cai, G.-L.; Liu, S.-X.; Huang, J.-L.
High-temperature synthesis and structure redetermination of Te~4~I~4~
Acta Crystallographica Section C
1,991
47
12
2642
2644
10.1107/S0108270191005656
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Cai, G.-L.; Liu, S.-X.; Huang, J.-L. High-temperature synthesis and structure redetermination of Te~4~I~4~ Acta Crystallographica Section C 47(12) (1991) 2642-2644
278,247
2022-09-28
15:09:31
#------------------------------------------------------------------------------ #$Date: 2022-09-28 18:08:17 +0300 (Wed, 28 Sep 2022) $ #$Revision: 278247 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/01/2000148.cif $ #-------------------------------------------------------------------...
2,000,149
9.087
0.003
9.087
0.003
9.087
0.003
115.73
0.03
115.73
0.03
115.73
0.03
390.6
0.8
null
null
null
null
null
null
null
null
4
R -3 :R
-P 3*
null
- C Ag N O -
- C Ag N O -
- C6 Ag6 N6 O6 -
6
1
CR0363
Britton, D.
A redetermination of the trigonal silver fulminate structure
Acta Crystallographica Section C
1,991
47
12
2646
2647
10.1107/S0108270191008855
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Britton, D. A redetermination of the trigonal silver fulminate structure Acta Crystallographica Section C 47(12) (1991) 2646-2647
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/2/00/01/2000149.cif $ #-------------------------------------------------------------------...
2,000,150
8.966
0.002
14.552
0.005
13.085
0.004
90
null
90
null
90
null
1,707.2
0.9
null
null
null
null
null
null
null
null
5
P n a 21
P 2c -2n
null
- C19 H15 N S Sn -
- C19 H15 N S Sn -
- C76 H60 N4 S4 Sn4 -
4
1
AS0502
Khoo, L. E.; Chen, X.-M.; Mak, T. C. W.
Structure of a new form of triphenyltin(IV) isothiocyanate
Acta Crystallographica Section C
1,991
47
12
2647
2649
10.1107/S0108270191007710
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Khoo, L. E.; Chen, X.-M.; Mak, T. C. W. Structure of a new form of triphenyltin(IV) isothiocyanate Acta Crystallographica Section C 47(12) (1991) 2647-2649
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/2/00/01/2000150.cif $ #-------------------------------------------------------------------...
2,000,151
10.188
0.008
11.202
0.009
9.22
0.005
99.92
0.06
113.39
0.05
68.31
0.07
897
1.2
null
null
null
null
null
null
null
null
4
P -1
-P 1
2
- C36 H62 Li2 O4 -
- C36 H62 Li2 O4 -
- C36 H62 Li2 O4 -
1
0.5
MU0264
Kociok-Köhn, G.; Pickardt, J.; Schumann, H.
Structure of dimeric lithium 2,6-di-<i>tert</i>-butylphenoxide–diethyl ether (1/1)
Acta Crystallographica Section C
1,991
47
12
2649
2651
10.1107/S0108270191007783
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Kociok-Köhn, G.; Pickardt, J.; Schumann, H. Structure of dimeric lithium 2,6-di-<i>tert</i>-butylphenoxide–diethyl ether (1/1) Acta Crystallographica Section C 47(12) (1991) 2649-2651
278,247
2022-09-28
15:09:31
#------------------------------------------------------------------------------ #$Date: 2022-09-28 18:08:17 +0300 (Wed, 28 Sep 2022) $ #$Revision: 278247 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/01/2000151.cif $ #-------------------------------------------------------------------...
2,000,152
8.379
0.001
8.379
0.001
15.832
0.004
90
null
90
null
90
null
1,111.5
0.3
null
null
null
null
null
null
null
null
6
P n n m
-P 2 2n
null
- C20 H16 Cu F6 N2 O4 -
- C40 Cu2 F24 N4 O8 -
- C40 Cu2 F24 N4 O8 -
1
0.125
LI0072
Yu, K.-B.; Gou, S.-H.; You, X.-Z.; Xu, Z.
Structure of <i>catena</i>-poly{bis(1,1,1-trifluoro-2,4-pentanedionato-κ^2^<i>O</i>,<i>O</i>')copper-μ-[(4,4'-bipyridine)-κ<i>N</i>:κ<i>N</i>']}
Acta Crystallographica Section C
1,991
47
12
2653
2654
10.1107/S0108270191007928
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Yu, K.-B.; Gou, S.-H.; You, X.-Z.; Xu, Z. Structure of <i>catena</i>-poly{bis(1,1,1-trifluoro-2,4-pentanedionato-κ^2^<i>O</i>,<i>O</i>')copper-μ-[(4,4'-bipyridine)-κ<i>N</i>:κ<i>N</i>']} Acta Crystallographica Section C 47(12) (1991) 2653-2654
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/2/00/01/2000152.cif $ #-------------------------------------------------------------------...
2,000,153
5.726
0.001
12.302
0.002
17.01
0.002
90
null
97.92
0.01
90
null
1,186.8
0.3
null
null
null
null
null
null
null
null
6
P 1 21/c 1
-P 2ybc
null
- C2 H17 N Ni O12 S -
- C2 H17 N Ni O12 S -
- C8 H68 N4 Ni4 O48 S4 -
4
1
AB0219
Peterková, J.; Podlahová, J.; Loub, J.; Mička, Z.
Structure of pentaaqua(glycine)nickel(II) sulfate monohydrate
Acta Crystallographica Section C
1,991
47
12
2664
2666
10.1107/S0108270191006625
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Peterková, J.; Podlahová, J.; Loub, J.; Mička, Z. Structure of pentaaqua(glycine)nickel(II) sulfate monohydrate Acta Crystallographica Section C 47(12) (1991) 2664-2666
301,791
2025-08-18
23:14:58
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2,000,154
14.941
0.005
7.05
0.001
24.832
0.004
90
null
90.48
0.02
90
null
2,615.6
1
null
null
null
null
null
null
null
null
6
A 1 2/a 1
null
- C22 H26 N4 O2 P2 S4 -
- C22 H26 N4 O2 P2 S4 -
- C88 H104 N16 O8 P8 S16 -
4
0.5
AB0216
Wang, J.-L.; Sun, M.; Miao, F. M.; Chen, Q.-J.; Jin, S.-J.
Structure of 6,13-bis(butylthio)-5,12-dioxa-6,13-dithioxo-6a,7,13a,14-tetraaza-6,13-diphosphadibenz[<i>a</i>,<i>h</i>]anthracene
Acta Crystallographica Section C
1,991
47
12
2676
2677
10.1107/S010827019100639X
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
warnings
has coordinates
Wang, J.-L.; Sun, M.; Miao, F. M.; Chen, Q.-J.; Jin, S.-J. Structure of 6,13-bis(butylthio)-5,12-dioxa-6,13-dithioxo-6a,7,13a,14-tetraaza-6,13-diphosphadibenz[<i>a</i>,<i>h</i>]anthracene Acta Crystallographica Section C 47(12) (1991) 2676-2677
301,791
2025-08-18
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7,015,070
12.2303
0.0007
35.554
0.002
9.9058
0.0006
90
null
106.985
0.001
90
null
4,119.5
0.4
200
2
200
2
null
null
null
null
8
P 1 21/c 1
-P 2ybc
14
- C40 H52 Cl N3 Ni O5 P2 Ru -
- C40 H52 Cl N3 Ni O5 P2 Ru -
- C160 H208 Cl4 N12 Ni4 O20 P8 Ru4 -
4
1
Mena-Cruz, Adrián; Lorenzo-Luis, Pablo; Passarelli, Vincenzo; Romerosa, Antonio; Serrano-Ruiz, Manuel
Comparative study of [RuClCp(HdmoPTA-κP)(PPh3)][CF3SO3] and the heterobimetallic complexes [RuClCp(PPh3)-μ-dmoPTA-1κP:2κ2N,N'-M(acac-κ2O,O')2] (M=Co, Ni, Zn; dmoPTA=3,7-dimethyl-1,3,7-triaza-5-phosphabicyclo[3.3.1]nonane).
Dalton transactions (Cambridge, England : 2003)
2,011
40
13
3237
3244
10.1039/c0dt00571a
0.71073
MoKα
0.1039
0.0793
null
null
0.1635
0.1725
null
null
null
null
null
1.233
null
null
has coordinates
Mena-Cruz, Adrián; Lorenzo-Luis, Pablo; Passarelli, Vincenzo; Romerosa, Antonio; Serrano-Ruiz, Manuel Comparative study of [RuClCp(HdmoPTA-κP)(PPh3)][CF3SO3] and the heterobimetallic complexes [RuClCp(PPh3)-μ-dmoPTA-1κP:2κ2N,N'-M(acac-κ2O,O')2] (M=Co, Ni, Zn; dmoPTA=3,7-dimethyl-1,3,7-triaza-5-phosphabicyclo[3.3.1]nona...
179,854
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-25 13:37:44 +0200 (Fri, 25 Mar 2016) $ #$Revision: 179854 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/50/7015070.cif $ #-------------------------------------------------------------------...
2,000,155
8.717
0.002
6.927
0.001
10.95
0.002
90
null
113.01
0.02
90
null
608.6
0.2
null
null
null
null
null
null
null
null
4
P 1 21 1
P 2yb
4
(11aS)-1,2,3,10,11,11a-Hexahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11-dione dihydrate
- C12 H16 N2 O4 -
- C12 H16 N2 O4 -
- C24 H32 N4 O8 -
2
1
LI0076
Neidle, S.; Webster, G. D.; Jones, G. B.; Thurston, D. E.
Structures of two DNA minor-groove binders, based on pyrrolo[2,1-<i>c</i>][1,4]benzodiazepines
Acta Crystallographica Section C
1,991
47
12
2678
2680
10.1107/S0108270191005966
1.54178
Cu
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Neidle, S.; Webster, G. D.; Jones, G. B.; Thurston, D. E. Structures of two DNA minor-groove binders, based on pyrrolo[2,1-<i>c</i>][1,4]benzodiazepines Acta Crystallographica Section C 47(12) (1991) 2678-2680
205,898
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2018-01-30 16:30:45 +0200 (Tue, 30 Jan 2018) $ #$Revision: 205898 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/01/2000155.cif $ #-------------------------------------------------------------------...
2,000,156
6.633
0.001
13.435
0.002
19.246
0.002
90
null
90
null
90
null
1,715.1
0.4
null
null
null
null
null
null
null
null
4
P 21 21 21
P 2ac 2ab
null
(2R,11aS)-2,8-Diacetoxy-7-methoxy-1,2,3,10,11,11a-hexahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11-dione
- C17 H18 N2 O7 -
- C17 H18 N2 O7 -
- C68 H72 N8 O28 -
4
1
LI0076
Neidle, S.; Webster, G. D.; Jones, G. B.; Thurston, D. E.
Structures of two DNA minor-groove binders, based on pyrrolo[2,1-<i>c</i>][1,4]benzodiazepines
Acta Crystallographica Section C
1,991
47
12
2678
2680
10.1107/S0108270191005966
1.54178
Cu
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Neidle, S.; Webster, G. D.; Jones, G. B.; Thurston, D. E. Structures of two DNA minor-groove binders, based on pyrrolo[2,1-<i>c</i>][1,4]benzodiazepines Acta Crystallographica Section C 47(12) (1991) 2678-2680
301,791
2025-08-18
23:14:58
#------------------------------------------------------------------------------ #$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/2/00/01/2000156.cif $ #-------------------------------------------------------------------...
2,000,157
27.89
0.02
6.327
0.002
22.04
0.01
90
null
114.65
0.04
90
null
3,535
3
null
null
null
null
null
null
null
null
4
C 1 2/c 1
-C 2yc
null
- C8 H13 N O3 -
- C8 H13 N O3 -
- C128 H208 N16 O48 -
16
2
LI0082
Michael, J. P.; Maqutu, T. L.; Denner, L.
Structure of (±)-<i>exo</i>-6-methyl-<i>endo</i>-6-nitrobicyclo[2.2.1]heptan-<i>exo</i>-2-ol
Acta Crystallographica Section C
1,991
47
12
2680
2682
10.1107/S010827019100793X
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Michael, J. P.; Maqutu, T. L.; Denner, L. Structure of (±)-<i>exo</i>-6-methyl-<i>endo</i>-6-nitrobicyclo[2.2.1]heptan-<i>exo</i>-2-ol Acta Crystallographica Section C 47(12) (1991) 2680-2682
301,791
2025-08-18
23:14:58
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2,000,158
21.713
0.005
13.524
0.004
7.259
0.002
90
null
95.2
0.02
90
null
2,122.8
1
null
null
null
null
null
null
null
null
4
P 1 21/a 1
-P 2yab
null
- C29 H21 N O -
- C29 H21 N O -
- C116 H84 N4 O4 -
4
1
AS0496
Mori, Y.; Maeda, K.
2,4,4,6-Tetraphenyl-3(4<i>H</i>)-pyridinone
Acta Crystallographica Section C
1,991
47
12
2682
2683
10.1107/S0108270191007485
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Mori, Y.; Maeda, K. 2,4,4,6-Tetraphenyl-3(4<i>H</i>)-pyridinone Acta Crystallographica Section C 47(12) (1991) 2682-2683
301,791
2025-08-18
23:14:58
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2,000,159
9.524
0.001
11.8187
0.0008
12.615
0.001
66.512
0.007
83.321
0.009
88.758
0.008
1,293
0.2
null
null
null
null
null
null
null
null
4
P -1
-P 1
2
- C26 H28 N2 O10 -
- C26 H28 N2 O10 -
- C52 H56 N4 O20 -
2
1
CR0348
Ammon, H. L.; DeShong, P.; Simpson, D.
Structure of a lactone, 2,4,6-trideoxy-4,6-dimethyl-2-(oxopropyl)-7-<i>O</i>-(phenylmethyl)-<small>L</small>-<i>glycero</i>-<small>D</small>-<i>manno</i>-heptono-1,5-lactone 3-(3,5-dinitrobenzoate)
Acta Crystallographica Section C
1,991
47
12
2693
2695
10.1107/S010827019100625X
1.54178
Cu
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Ammon, H. L.; DeShong, P.; Simpson, D. Structure of a lactone, 2,4,6-trideoxy-4,6-dimethyl-2-(oxopropyl)-7-<i>O</i>-(phenylmethyl)-<small>L</small>-<i>glycero</i>-<small>D</small>-<i>manno</i>-heptono-1,5-lactone 3-(3,5-dinitrobenzoate) Acta Crystallographica Section C 47(12) (1991) 2693-2695
301,791
2025-08-18
23:14:58
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7,015,069
12.4375
0.0014
17.831
0.002
17.8172
0.0019
90
null
100.291
0.003
90
null
3,887.8
0.7
100
2
100
2
null
null
null
null
6
P 1 21/c 1
-P 2ybc
14
- C42 H36 Cl2 Fe N6 O9 -
- C42 H36 Cl2 Fe N6 O9 -
- C168 H144 Cl8 Fe4 N24 O36 -
4
1
Ramakrishnan, Sethu; Suresh, Eringadothi; Riyasdeen, Anvarbatcha; Akbarsha, Mohamad Abdulkadhar; Palaniandavar, Mallayan
DNA binding, prominent DNA cleavage and efficient anticancer activities of tris(diimine)iron(II) complexes.
Dalton transactions (Cambridge, England : 2003)
2,011
40
14
3524
3536
10.1039/c0dt00466a
0.71073
MoKα
0.1452
0.1032
null
null
0.1823
0.1985
null
null
null
null
null
1.172
null
null
has coordinates
Ramakrishnan, Sethu; Suresh, Eringadothi; Riyasdeen, Anvarbatcha; Akbarsha, Mohamad Abdulkadhar; Palaniandavar, Mallayan DNA binding, prominent DNA cleavage and efficient anticancer activities of tris(diimine)iron(II) complexes. Dalton transactions (Cambridge, England : 2003) 40(14) (2011) 3524-3536
179,854
2020-10-21
18:00:00
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2,000,160
5.826
0.001
8.862
0.001
12.517
0.002
100.29
0.01
102.67
0.01
104.22
0.01
592.44
0.16
null
null
null
null
null
null
null
null
4
P -1
-P 1
2
- C28 H28 O2 P2 -
- C28 H28 O2 P2 -
- C28 H28 O2 P2 -
1
0.5
LI0086
Fontes, M. R. M.; Oliva, G.; Zukerman-Schpector, J.; Queiroz, S. L.; Batista, A. A.
Structure of 1,4-bis(diphenylphosphinoyl)butane
Acta Crystallographica Section C
1,991
47
12
2699
2700
10.1107/S0108270191007205
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Fontes, M. R. M.; Oliva, G.; Zukerman-Schpector, J.; Queiroz, S. L.; Batista, A. A. Structure of 1,4-bis(diphenylphosphinoyl)butane Acta Crystallographica Section C 47(12) (1991) 2699-2700
301,791
2025-08-18
23:14:58
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2,000,161
9.389
0.005
35.542
0.007
8.899
0.004
90
null
114.25
0.03
90
null
2,708
2
null
null
null
null
null
null
null
null
4
P 1 21/n 1
-P 2yn
14
- C27 H42 O5 Si -
- C27 H42 O5 Si -
- C108 H168 O20 Si4 -
4
1
AS0503
Sakai, Y.; Kojima, Y.; Ohashi, Y.; Morihira, K.; Furukawa, T.; Horiguchi, Y.; Kuwajima, I.
Structure of <i>endo</i>-(5<i>R</i>*,6<i>R</i>*,11<i>R</i>*,12<i>S</i>*)-5,6,11,12-tetrahydro-4,11,12-trimethoxy-9,13,13-trimethyl-5-(triethylsiloxy)-6,10-methano-8(7<i>H</i>)benzocyclodecenone
Acta Crystallographica Section C
1,991
47
12
2700
2702
10.1107/S0108270191007916
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Sakai, Y.; Kojima, Y.; Ohashi, Y.; Morihira, K.; Furukawa, T.; Horiguchi, Y.; Kuwajima, I. Structure of <i>endo</i>-(5<i>R</i>*,6<i>R</i>*,11<i>R</i>*,12<i>S</i>*)-5,6,11,12-tetrahydro-4,11,12-trimethoxy-9,13,13-trimethyl-5-(triethylsiloxy)-6,10-methano-8(7<i>H</i>)benzocyclodecenone Acta Crystallographica Section C 47...
301,791
2025-08-18
23:14:58
#------------------------------------------------------------------------------ #$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/2/00/01/2000161.cif $ #-------------------------------------------------------------------...
2,000,162
7.0329
0.0007
9.983
0.002
22.644
0.006
90
null
90
null
90
null
1,589.8
0.6
null
null
null
null
null
null
null
null
4
P 21 21 21
P 2ac 2ab
null
- C14 H20 Cl2 O3 -
- C14 H20 Cl2 O3 -
- C56 H80 Cl8 O12 -
4
1
LI0087
Zukerman-Schpector, J.; Castellano, E. E.; Brocksom, T. J.; Moreira, L. A.
Structure and absolute configuration of (3<i>S</i>)-[(1<i>S</i>,2<i>R</i>,4<i>S</i>)-2-acetoxy-4-methyl-1-cyclohexyl]-2,2-dichloro-3-methylcyclobutanone
Acta Crystallographica Section C
1,991
47
12
2706
2708
10.1107/S0108270191007941
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Zukerman-Schpector, J.; Castellano, E. E.; Brocksom, T. J.; Moreira, L. A. Structure and absolute configuration of (3<i>S</i>)-[(1<i>S</i>,2<i>R</i>,4<i>S</i>)-2-acetoxy-4-methyl-1-cyclohexyl]-2,2-dichloro-3-methylcyclobutanone Acta Crystallographica Section C 47(12) (1991) 2706-2708
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/2/00/01/2000162.cif $ #-------------------------------------------------------------------...
2,000,163
15.108
0.003
4.636
0.001
28.819
0.003
90
null
98.62
0.01
90
null
1,995.7
0.6
null
null
null
null
null
null
null
null
5
I 1 2/a 1
-I 2ya
null
- C6 H16 N O6 P -
- C6 H16 N O6 P -
- C48 H128 N8 O48 P8 -
8
1
MU0267
Macíček, J.; Vladkova, T.
Structure of {εpsilon}-ammoniohexanoic acid dihydrogenphosphate
Acta Crystallographica Section C
1,991
47
12
2709
2711
10.1107/S0108270191007801
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Macíček, J.; Vladkova, T. Structure of {εpsilon}-ammoniohexanoic acid dihydrogenphosphate Acta Crystallographica Section C 47(12) (1991) 2709-2711
301,791
2025-08-18
23:14:58
#------------------------------------------------------------------------------ #$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/2/00/01/2000163.cif $ #-------------------------------------------------------------------...
2,000,164
19.423
0.005
8.478
0.005
18.327
0.005
90
null
90.67
0.02
90
null
3,018
2
null
null
null
null
null
null
null
null
4
C 1 2/c 1
-C 2yc
null
- C18 H16 O1.5 P -
- C18 H16 O1.5 P -
- C144 H128 O12 P8 -
8
1
CR0323
Baures, P. W.
Monoclinic triphenylphosphine oxide hemihydrate
Acta Crystallographica Section C
1,991
47
12
2715
2716
10.1107/S0108270191004018
1.5418
Cu
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Baures, P. W. Monoclinic triphenylphosphine oxide hemihydrate Acta Crystallographica Section C 47(12) (1991) 2715-2716
301,791
2025-08-18
23:14:58
#------------------------------------------------------------------------------ #$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/2/00/01/2000164.cif $ #-------------------------------------------------------------------...
2,000,165
7.6025
0.001
13.948
0.002
14.428
0.003
90
null
90
null
90
null
1,529.9
0.4
null
null
null
null
null
null
null
null
3
P 21 21 21
P 2ac 2ab
19
- C18 H16 O4 -
- C18 H16 O4 -
- C72 H64 O16 -
4
1
ST0498
Huang, E. T.; Evans, K. L.; Fronczek, F. R.; Gandour, R. D.
Methyl 2-[(2,6-dimethoxyphenyl)ethynyl]benzoate
Acta Crystallographica Section C
1,991
47
12
2727
2729
10.1107/S0108270191004171
1.54184
Cu
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Huang, E. T.; Evans, K. L.; Fronczek, F. R.; Gandour, R. D. Methyl 2-[(2,6-dimethoxyphenyl)ethynyl]benzoate Acta Crystallographica Section C 47(12) (1991) 2727-2729
301,791
2025-08-18
23:14:58
#------------------------------------------------------------------------------ #$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/2/00/01/2000165.cif $ #-------------------------------------------------------------------...
7,015,068
13.5536
0.0004
14.8181
0.0004
28.5615
0.0007
77.347
0.001
86.351
0.002
63.021
0.001
4,983.6
0.2
243
2
243
2
null
null
null
null
7
P -1
-P 1
2
[Ru(bpy)(CH3CN)2(dppcb)Os(bpy)2](PF6)4
- C89 H74 F24 N9.5 Os P8 Ru -
- C89 H74 F24 N9.5 Os P8 Ru -
- C178 H148 F48 N19 Os2 P16 Ru2 -
2
1
Eller, Sylvia; Trettenbrein, Barbara; Fessler, Markus; Haringer, Stephan; Ruggenthaler, Martin; Gutmann, Rene; van der Veer, Wytze E.; Kopacka, Holger; Müller, Thomas; Obendorf, Dagmar; Brüggeller, Peter
Surprising photochemical reactivity and visible light-driven energy transfer in heterodimetallic complexes.
Dalton transactions (Cambridge, England : 2003)
2,011
40
15
3815
3829
10.1039/c0dt00253d
0.71073
MoKα
0.0889
0.0583
null
null
0.1488
0.2118
null
null
null
null
null
1.051
null
null
has coordinates
Eller, Sylvia; Trettenbrein, Barbara; Fessler, Markus; Haringer, Stephan; Ruggenthaler, Martin; Gutmann, Rene; van der Veer, Wytze E.; Kopacka, Holger; Müller, Thomas; Obendorf, Dagmar; Brüggeller, Peter Surprising photochemical reactivity and visible light-driven energy transfer in heterodimetallic complexes. Dalton t...
179,854
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-25 13:37:44 +0200 (Fri, 25 Mar 2016) $ #$Revision: 179854 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/50/7015068.cif $ #-------------------------------------------------------------------...
2,000,166
7.887
0.0007
7.815
0.0009
27.478
0.004
90
null
91.229
0.01
90
null
1,693.3
0.3
null
null
null
null
null
null
null
null
3
P 1 21/n 1
-P 2yn
14
- C20 H20 O4 -
- C20 H20 O4 -
- C80 H80 O16 -
4
1
ST0499
Evans, K. L.; Fronczek, F. R.; Gandour, R. D.
1,3-Bis(2,6-dimethoxyphenyl)butenyne
Acta Crystallographica Section C
1,991
47
12
2729
2731
10.1107/S0108270191004183
1.54184
Cu
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Evans, K. L.; Fronczek, F. R.; Gandour, R. D. 1,3-Bis(2,6-dimethoxyphenyl)butenyne Acta Crystallographica Section C 47(12) (1991) 2729-2731
301,791
2025-08-18
23:14:58
#------------------------------------------------------------------------------ #$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/2/00/01/2000166.cif $ #-------------------------------------------------------------------...
2,000,167
11.4064
0.0007
13.098
0.002
20.848
0.002
90
null
90
null
90
null
3,114.7
0.6
null
null
null
null
null
null
null
null
3
P b c a
-P 2ac 2ab
null
- C18 H16 O5 -
- C18 H16 O5 -
- C144 H128 O40 -
8
1
ST0501
Evans, K. L.; Fronczek, F. R.; Gandour, R. D.
Methyl 2-(2,6-dimethoxyphenyl)benzofuran-4-carboxylate
Acta Crystallographica Section C
1,991
47
12
2731
2733
10.1107/S0108270191004195
1.54184
Cu
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Evans, K. L.; Fronczek, F. R.; Gandour, R. D. Methyl 2-(2,6-dimethoxyphenyl)benzofuran-4-carboxylate Acta Crystallographica Section C 47(12) (1991) 2731-2733
301,791
2025-08-18
23:14:58
#------------------------------------------------------------------------------ #$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/2/00/01/2000167.cif $ #-------------------------------------------------------------------...
2,000,168
16.23
0.01
5.88
0.01
29.88
0.02
90
null
96.61
0.07
90
null
2,833
5
null
null
null
null
null
null
null
null
4
C 1 2/c 1
-C 2yc
null
- C16 H17.76 N O5.38 -
- C16 H17.76 N O5.38 -
- C128 H142.08 N8 O43.04 -
8
1
CR0361
Hua, D. H.; Saha, S.; Robinson, P. D.
Structure of methyl-8,9-methylenedioxy-2-oxo-1,2,3,4,4aα,5,6,10bβ-octahydrophenanthridine-5-carboxylate
Acta Crystallographica Section C
1,991
47
12
2737
2739
10.1107/S0108270191008259
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Hua, D. H.; Saha, S.; Robinson, P. D. Structure of methyl-8,9-methylenedioxy-2-oxo-1,2,3,4,4aα,5,6,10bβ-octahydrophenanthridine-5-carboxylate Acta Crystallographica Section C 47(12) (1991) 2737-2739
301,791
2025-08-18
23:14:58
#------------------------------------------------------------------------------ #$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/2/00/01/2000168.cif $ #-------------------------------------------------------------------...
2,000,169
5.959
0.001
14.956
0.001
19.737
0.003
90
null
90
null
90
null
1,759
0.3
293
null
293
null
null
null
null
null
4
P 21 21 21
P 2ac 2ab
19
trans-3-Benzoyl-2-(tert-butyl)-4-(iso-butyl)-1,3-oxazolidin-5-one
- C18 H25 N O3 -
- C18 H25 N O3 -
- C72 H100 N4 O12 -
4
1
HL0007
Willis, Anthony C.; Beckwith, Athelstan L. J.; Tozer, Matthew J.
<i>trans</i>-3-Benzoyl-2-<i>tert</i>-butyl-4-isobutyl-1,3-oxazolidin-5-one
Acta Crystallographica Section C
1,991
47
11
2276
2277
10.1107/S0108270191009630
1.5418
CuKα
0.038
0.034
null
0.044
0.042
null
null
null
1.462
1.515
1.515
null
null
null
has coordinates
Willis, Anthony C.; Beckwith, Athelstan L. J.; Tozer, Matthew J. <i>trans</i>-3-Benzoyl-2-<i>tert</i>-butyl-4-isobutyl-1,3-oxazolidin-5-one Acta Crystallographica Section C 47(11) (1991) 2276-2277
301,791
2025-08-18
23:14:58
#------------------------------------------------------------------------------ #$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/2/00/01/2000169.cif $ #-------------------------------------------------------------------...
2,000,170
11.097
0.002
11.097
0.002
21.114
0.004
90
null
90
null
120
null
2,251.7
0.7
null
null
null
null
null
null
null
null
4
R 3 2
R 3 2"
null
- B4 H9.4 Na2 O11.7 -
- B4 H12 Na2 O13 -
- B36 H108 Na18 O117 -
9
null
ST0510
Powell, D. R.; Gaines, D. F.; Zerella, P. J.; Smith, R. A.
Refinement of the structure of tincalconite
Acta Crystallographica Section C
1,991
47
11
2279
2282
10.1107/S0108270191006054
1.54184
Cu
null
null
null
null
null
null
null
null
null
null
null
null
null
null
warnings
has coordinates
Powell, D. R.; Gaines, D. F.; Zerella, P. J.; Smith, R. A. Refinement of the structure of tincalconite Acta Crystallographica Section C 47(11) (1991) 2279-2282
249,446
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2020-03-17 13:34:05 +0200 (Tue, 17 Mar 2020) $ #$Revision: 249446 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/01/2000170.cif $ #-------------------------------------------------------------------...
2,000,171
7.284
0.001
3.881
0.001
15.143
0.001
90
null
90
null
90
null
428.08
0.13
null
null
null
null
null
null
null
null
2
P n m a
-P 2ac 2n
62
- Dy2 S3 -
- Dy2 S3 -
- Dy8 S12 -
4
0.5
AL0424
Meetsma, A.; Wiegers, G. A.; Haange, R. J.; de Boer, J. L.; Boom, G.
Structure of two modifications of dysprosium sesquisulfide, Dy~2~S~3~
Acta Crystallographica Section C
1,991
47
11
2287
2291
10.1107/S0108270191006303
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Meetsma, A.; Wiegers, G. A.; Haange, R. J.; de Boer, J. L.; Boom, G. Structure of two modifications of dysprosium sesquisulfide, Dy~2~S~3~ Acta Crystallographica Section C 47(11) (1991) 2287-2291
278,244
2022-09-28
13:56:22
#------------------------------------------------------------------------------ #$Date: 2022-09-28 16:56:03 +0300 (Wed, 28 Sep 2022) $ #$Revision: 278244 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/01/2000171.cif $ #-------------------------------------------------------------------...
2,000,172
13.601
0.003
13.966
0.003
12.341
0.003
100.1
0.02
99.56
0.02
115.19
0.02
2,010.7
0.9
null
null
null
null
null
null
null
null
5
P -1
-P 1
2
- C31 H38 Fe2 N6 O6 -
- C31 H38 Cl2 Fe2 N6 O22 -
- C62 H76 Cl4 Fe4 N12 O44 -
2
1
ST0483
O'Brien, R. J.; Richardson, J. F.; Buchanan, R. M.
Structure of di-μ-acetato-μ-oxo-bis[bis(2-pyridylmethyl)amine]diiron(III) diperchlorate 0.9-acetone solvate
Acta Crystallographica Section C
1,991
47
11
2307
2310
10.1107/S0108270191005759
0.7093
mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
O'Brien, R. J.; Richardson, J. F.; Buchanan, R. M. Structure of di-μ-acetato-μ-oxo-bis[bis(2-pyridylmethyl)amine]diiron(III) diperchlorate 0.9-acetone solvate Acta Crystallographica Section C 47(11) (1991) 2307-2310
206,341
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2018-02-09 15:27:00 +0200 (Fri, 09 Feb 2018) $ #$Revision: 206341 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/01/2000172.cif $ #-------------------------------------------------------------------...