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alpha
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beta
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gamma
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siggamma
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celltemp
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cellpressure
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authors
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1,100,726
17.124
0.003
11.727
0.002
16.249
0.003
90
null
103.84
0.03
90
null
3,168.3
1.1
150
2
150
2
null
null
null
null
6
P 1 21/c 1
-P 2ybc
14
- C33 H24 Cl4 Hg N4 O2 -
- C33 H24 Cl4 Hg N4 O2 -
- C132 H96 Cl16 Hg4 N16 O8 -
4
1
Tara J. Burchell; Richard J. Puddephatt
Self-Assembly of Chiral Coordination Polymers and Macrocycles: A Metal Template Effect on the Polymer-Macrocycle Equilibrium
Inorganic Chemistry
2,005
44
3718
3730
10.1021/ic050097w
0.71073
MoKα
0.092
0.0432
null
null
0.084
0.0983
null
null
null
null
null
0.91
null
null
has coordinates
Tara J. Burchell; Richard J. Puddephatt Self-Assembly of Chiral Coordination Polymers and Macrocycles: A Metal Template Effect on the Polymer-Macrocycle Equilibrium Inorganic Chemistry 44 (2005) 3718-3730
176,729
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/07/1100726.cif $ #-------------------------------------------------------------------...
1,100,727
17.239
0.003
11.94
0.002
16.268
0.003
90
null
103.34
0.03
90
null
3,258.2
1.1
123
2
123
2
null
null
null
null
7
P 1 21/c 1
-P 2ybc
14
- C33 H24 Br2 Cl2 Hg N4 O2 -
- C33 H24 Br2 Cl2 Hg N4 O2 -
- C132 H96 Br8 Cl8 Hg4 N16 O8 -
4
1
Tara J. Burchell; Richard J. Puddephatt
Self-Assembly of Chiral Coordination Polymers and Macrocycles: A Metal Template Effect on the Polymer-Macrocycle Equilibrium
Inorganic Chemistry
2,005
44
3718
3730
10.1021/ic050097w
0.71073
MoKα
0.0631
0.0426
null
null
0.1016
0.1092
null
null
null
null
null
1.016
null
null
has coordinates,has disorder
Tara J. Burchell; Richard J. Puddephatt Self-Assembly of Chiral Coordination Polymers and Macrocycles: A Metal Template Effect on the Polymer-Macrocycle Equilibrium Inorganic Chemistry 44 (2005) 3718-3730
176,729
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/07/1100727.cif $ #-------------------------------------------------------------------...
1,100,728
20.856
0.004
15.847
0.003
23.865
0.005
90
null
96.91
0.03
90
null
7,830
3
150
2
150
2
null
null
null
null
7
C 1 2/c 1
-C 2yc
15
- C34.25 H27 Cl4.5 Hg I2 N4 O2 -
- C34.25 H27 Cl4.5 Hg I2 N4 O2 -
- C274 H216 Cl36 Hg8 I16 N32 O16 -
8
1
Tara J. Burchell; Richard J. Puddephatt
Self-Assembly of Chiral Coordination Polymers and Macrocycles: A Metal Template Effect on the Polymer-Macrocycle Equilibrium
Inorganic Chemistry
2,005
44
3718
3730
10.1021/ic050097w
0.71073
MoKα
0.1469
0.074
null
null
0.1917
0.2271
null
null
null
null
null
0.975
null
null
has coordinates,has disorder
Tara J. Burchell; Richard J. Puddephatt Self-Assembly of Chiral Coordination Polymers and Macrocycles: A Metal Template Effect on the Polymer-Macrocycle Equilibrium Inorganic Chemistry 44 (2005) 3718-3730
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/1/10/07/1100728.cif $ #-------------------------------------------------------------------...
7,015,148
9.7732
0.0002
24.6103
0.0005
10.1615
0.0002
90
null
107.095
0.001
90
null
2,336.08
0.08
100
1
100
1
null
null
null
null
5
P 1 21/n 1
-P 2yn
14
- C16 H14 Au2 Cl6 N6 -
- C16 H14 Au2 Cl6 N6 -
- C64 H56 Au8 Cl24 N24 -
4
1
Bulak, Ece; Varnali, Tereza; Schwederski, Brigitte; Sarkar, Biprajit; Hartenbach, Ingo; Fiedler, Jan; Kaim, Wolfgang
2,3-Bis(1-methylimidazol-2-yl)quinoxaline (bmiq), a new ligand with decoupled electron transfer and metal coordination sites: the very different redox behaviour of isoelectronic complexes with [PtCl2] and [AuCl2]+.
Dalton transactions (Cambridge, England : 2003)
2,011
40
12
2757
2763
10.1039/c0dt01282c
0.71073
MoKα
0.0473
0.0313
null
null
0.068
0.0728
null
null
null
null
null
1.024
null
null
has coordinates
Bulak, Ece; Varnali, Tereza; Schwederski, Brigitte; Sarkar, Biprajit; Hartenbach, Ingo; Fiedler, Jan; Kaim, Wolfgang 2,3-Bis(1-methylimidazol-2-yl)quinoxaline (bmiq), a new ligand with decoupled electron transfer and metal coordination sites: the very different redox behaviour of isoelectronic complexes with [PtCl2] an...
179,855
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-25 13:38:46 +0200 (Fri, 25 Mar 2016) $ #$Revision: 179855 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/51/7015148.cif $ #-------------------------------------------------------------------...
1,100,729
15.023
0.003
15.582
0.003
16.554
0.003
90
null
90
null
90
null
3,875.1
1.3
150
2
150
2
null
null
null
null
7
P 21 21 21
P 2ac 2ab
19
- C37 H34 Cl2 Hg I2 N4 O3 -
- C37 H34 Cl2 Hg I2 N4 O3 -
- C148 H136 Cl8 Hg4 I8 N16 O12 -
4
1
Tara J. Burchell; Richard J. Puddephatt
Self-Assembly of Chiral Coordination Polymers and Macrocycles: A Metal Template Effect on the Polymer-Macrocycle Equilibrium
Inorganic Chemistry
2,005
44
3718
3730
10.1021/ic050097w
0.71073
MoKα
0.0689
0.0465
null
null
0.1014
0.1096
null
null
null
null
null
1.045
null
null
has coordinates
Tara J. Burchell; Richard J. Puddephatt Self-Assembly of Chiral Coordination Polymers and Macrocycles: A Metal Template Effect on the Polymer-Macrocycle Equilibrium Inorganic Chemistry 44 (2005) 3718-3730
176,729
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/07/1100729.cif $ #-------------------------------------------------------------------...
1,100,730
18.204
0.004
10.865
0.002
16.03
0.003
90
null
91.91
0.03
90
null
3,168.8
1.1
396
2
396
2
null
null
null
null
6
P 1 21/c 1
-P 2ybc
14
- C33 H25.2 Cl2.8 Hg0.95 N4 O2.6 -
- C33 H25.2 Cl2.8 Hg0.95 N4 O2.6 -
- C132 H100.8 Cl11.2 Hg3.8 N16 O10.4 -
4
1
Tara J. Burchell; Richard J. Puddephatt
Self-Assembly of Chiral Coordination Polymers and Macrocycles: A Metal Template Effect on the Polymer-Macrocycle Equilibrium
Inorganic Chemistry
2,005
44
3718
3730
10.1021/ic050097w
0.71073
MoKα
0.0876
0.0709
null
null
0.1892
0.2008
null
null
null
null
null
1.049
null
null
has coordinates,has disorder
Tara J. Burchell; Richard J. Puddephatt Self-Assembly of Chiral Coordination Polymers and Macrocycles: A Metal Template Effect on the Polymer-Macrocycle Equilibrium Inorganic Chemistry 44 (2005) 3718-3730
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/1/10/07/1100730.cif $ #-------------------------------------------------------------------...
1,100,731
18.187
0.004
11.165
0.002
16.286
0.003
90
null
92.5
0.03
90
null
3,303.9
1.1
150
2
150
2
null
null
null
null
7
P 1 21/c 1
-P 2ybc
14
- C33 H22 Br2 Cl2 Hg N4 O2 -
- C33 H22 Br2 Cl2 Hg N4 O2 -
- C132 H88 Br8 Cl8 Hg4 N16 O8 -
4
1
Tara J. Burchell; Richard J. Puddephatt
Self-Assembly of Chiral Coordination Polymers and Macrocycles: A Metal Template Effect on the Polymer-Macrocycle Equilibrium
Inorganic Chemistry
2,005
44
3718
3730
10.1021/ic050097w
0.71073
MoKα
0.0741
0.0514
null
null
0.1331
0.1486
null
null
null
null
null
0.988
null
null
has coordinates,has disorder
Tara J. Burchell; Richard J. Puddephatt Self-Assembly of Chiral Coordination Polymers and Macrocycles: A Metal Template Effect on the Polymer-Macrocycle Equilibrium Inorganic Chemistry 44 (2005) 3718-3730
176,729
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/07/1100731.cif $ #-------------------------------------------------------------------...
1,100,732
16.652
0.003
12.318
0.003
16.223
0.003
90
null
102.03
0.03
90
null
3,254.6
1.2
150
2
150
2
null
null
null
null
6
P 1 21/c 1
-P 2ybc
14
- C32.5 H24 Br3 Hg1.5 N4 O2.5 -
- C32.5 H24 Br3 Hg1.5 N4 O2.5 -
- C130 H96 Br12 Hg6 N16 O10 -
4
1
Tara J. Burchell; Richard J. Puddephatt
Self-Assembly of Chiral Coordination Polymers and Macrocycles: A Metal Template Effect on the Polymer-Macrocycle Equilibrium
Inorganic Chemistry
2,005
44
3718
3730
10.1021/ic050097w
0.71073
MoKα
0.081
0.0625
null
null
0.182
0.1954
null
null
null
null
null
1.027
null
null
has coordinates,has disorder
Tara J. Burchell; Richard J. Puddephatt Self-Assembly of Chiral Coordination Polymers and Macrocycles: A Metal Template Effect on the Polymer-Macrocycle Equilibrium Inorganic Chemistry 44 (2005) 3718-3730
301,773
2025-08-18
12:42:42
#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:40:47 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301773 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/07/1100732.cif $ #-------------------------------------------------------------------...
1,100,733
34.84
0.007
13.241
0.003
16.423
0.003
90
null
103.28
0.03
90
null
7,374
3
150
2
150
2
null
null
null
null
6
C 1 2/c 1
-C 2yc
15
- C34 H30 Hg1.5 I3 N4 O4 -
- C34 H30 Hg1.5 I3 N4 O4 -
- C272 H240 Hg12 I24 N32 O32 -
8
1
Tara J. Burchell; Richard J. Puddephatt
Self-Assembly of Chiral Coordination Polymers and Macrocycles: A Metal Template Effect on the Polymer-Macrocycle Equilibrium
Inorganic Chemistry
2,005
44
3718
3730
10.1021/ic050097w
0.71073
MoKα
0.1247
0.0957
null
null
0.2766
0.3016
null
null
null
null
null
1.016
null
null
has coordinates,has disorder
Tara J. Burchell; Richard J. Puddephatt Self-Assembly of Chiral Coordination Polymers and Macrocycles: A Metal Template Effect on the Polymer-Macrocycle Equilibrium Inorganic Chemistry 44 (2005) 3718-3730
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/1/10/07/1100733.cif $ #-------------------------------------------------------------------...
7,015,147
15.37
0.004
22.703
0.005
7.9312
0.0019
90
null
97.217
0.004
90
null
2,745.6
1.1
100
2
100
2
null
null
null
null
7
P 1 21/c 1
-P 2ybc
14
- C18 H36 Cl Fe N8 O7 S2 -
- C18 H36 Cl Fe N8 O7 S2 -
- C72 H144 Cl4 Fe4 N32 O28 S8 -
4
1
Saha, Rajat; Biswas, Susobhan; Steele, Ian M.; Dey, Kamalendu; Mostafa, Golam
A supramolecular spin crossover Fe(III) complex and its Cr(III) isomer: stabilization of water-chloride cluster within supramolecular host.
Dalton transactions (Cambridge, England : 2003)
2,011
40
13
3166
3175
10.1039/c0dt01256d
0.71073
MoKα
0.0619
0.0435
null
null
0.0929
0.0985
null
null
null
null
null
0.959
null
null
has coordinates
Saha, Rajat; Biswas, Susobhan; Steele, Ian M.; Dey, Kamalendu; Mostafa, Golam A supramolecular spin crossover Fe(III) complex and its Cr(III) isomer: stabilization of water-chloride cluster within supramolecular host. Dalton transactions (Cambridge, England : 2003) 40(13) (2011) 3166-3175
179,855
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-25 13:38:46 +0200 (Fri, 25 Mar 2016) $ #$Revision: 179855 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/51/7015147.cif $ #-------------------------------------------------------------------...
1,100,734
26.836
0.004
26.836
0.004
53.305
0.011
90
null
90
null
120
null
33,246
10
150
2
150
2
null
null
null
null
7
R -3 :H
-R 3
148
- C65 H46.33 Cl2 Hg2.17 I4.33 N8 O4.17 -
- C65 H46.34 Cl2 Hg2.16667 I4.33333 N8 O4.16667 -
- C1170 H834.12 Cl36 Hg39 I78 N144 O75 -
18
1
Tara J. Burchell; Richard J. Puddephatt
Self-Assembly of Chiral Coordination Polymers and Macrocycles: A Metal Template Effect on the Polymer-Macrocycle Equilibrium
Inorganic Chemistry
2,005
44
3718
3730
10.1021/ic050097w
0.71073
MoKα
0.1482
0.0954
null
null
0.2451
0.2819
null
null
null
null
null
1.012
null
null
has coordinates,has disorder
Tara J. Burchell; Richard J. Puddephatt Self-Assembly of Chiral Coordination Polymers and Macrocycles: A Metal Template Effect on the Polymer-Macrocycle Equilibrium Inorganic Chemistry 44 (2005) 3718-3730
176,729
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/07/1100734.cif $ #-------------------------------------------------------------------...
1,100,735
16.432
0.003
21.204
0.004
25.86
0.005
88.82
0.03
82.32
0.03
69.61
0.03
8,367
3
100
2
100
2
null
null
null
null
7
P -1
-P 1
2
- Cl3 Eu H82 K5 O155.5 P4 W34 -
- Cl3 Eu K5 O155.5 P4 W34 -
- Cl6 Eu2 K10 O311 P8 W68 -
2
1
Cheng Zhang; Robertha C. Howell; Qun-Hui Luo; Heidi L. Fieselmann; Louis J. Todaro; Lynn C. Francesconi
Influence of Steric and Electronic Properties of the Defect Site, Lanthanide Ionic Radii, and Solution Conditions on the Composition of Lanthanide(III) α1-P2W17O6110-Polyoxometalates
Inorganic Chemistry
2,005
44
3569
3578
10.1021/ic050103o
0.71073
MoKα
0.1786
0.1125
null
null
0.2761
0.3158
null
null
null
null
null
1.053
null
null
has coordinates
Cheng Zhang; Robertha C. Howell; Qun-Hui Luo; Heidi L. Fieselmann; Louis J. Todaro; Lynn C. Francesconi Influence of Steric and Electronic Properties of the Defect Site, Lanthanide Ionic Radii, and Solution Conditions on the Composition of Lanthanide(III) α1-P2W17O6110-Polyoxometalates Inorganic Chemistry 44 (2005) 356...
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/1/10/07/1100735.cif $ #-------------------------------------------------------------------...
1,100,736
41.339
0.008
15.636
0.003
24.988
0.005
90
null
104.53
0.03
90
null
15,635
6
293
2
293
2
null
null
null
null
5
C 1 2/c 1
-C 2yc
15
- K14 La O158 P4 W34 -
- K14 La O158 P4 W34 -
- K56 La4 O632 P16 W136 -
4
0.5
Cheng Zhang; Robertha C. Howell; Qun-Hui Luo; Heidi L. Fieselmann; Louis J. Todaro; Lynn C. Francesconi
Influence of Steric and Electronic Properties of the Defect Site, Lanthanide Ionic Radii, and Solution Conditions on the Composition of Lanthanide(III) α1-P2W17O6110-Polyoxometalates
Inorganic Chemistry
2,005
44
3569
3578
10.1021/ic050103o
0.71073
MoKα
0.1162
0.0744
null
null
0.1953
0.236
null
null
null
null
null
1.07
null
null
has coordinates,has disorder
Cheng Zhang; Robertha C. Howell; Qun-Hui Luo; Heidi L. Fieselmann; Louis J. Todaro; Lynn C. Francesconi Influence of Steric and Electronic Properties of the Defect Site, Lanthanide Ionic Radii, and Solution Conditions on the Composition of Lanthanide(III) α1-P2W17O6110-Polyoxometalates Inorganic Chemistry 44 (2005) 356...
176,729
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/07/1100736.cif $ #-------------------------------------------------------------------...
7,015,146
15.379
0.004
22.955
0.005
7.9671
0.0019
90
null
97.769
0.004
90
null
2,786.8
1.2
100
2
100
2
null
null
null
null
7
P 1 21/c 1
-P 2ybc
14
- C18 H36 Cl Cr N8 O7 S2 -
- C18 H36 Cl Cr N8 O7 S2 -
- C72 H144 Cl4 Cr4 N32 O28 S8 -
4
1
Saha, Rajat; Biswas, Susobhan; Steele, Ian M.; Dey, Kamalendu; Mostafa, Golam
A supramolecular spin crossover Fe(III) complex and its Cr(III) isomer: stabilization of water-chloride cluster within supramolecular host.
Dalton transactions (Cambridge, England : 2003)
2,011
40
13
3166
3175
10.1039/c0dt01256d
0.71073
MoKα
0.0739
0.044
null
null
0.0834
0.0904
null
null
null
null
null
0.935
null
null
has coordinates
Saha, Rajat; Biswas, Susobhan; Steele, Ian M.; Dey, Kamalendu; Mostafa, Golam A supramolecular spin crossover Fe(III) complex and its Cr(III) isomer: stabilization of water-chloride cluster within supramolecular host. Dalton transactions (Cambridge, England : 2003) 40(13) (2011) 3166-3175
179,855
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-25 13:38:46 +0200 (Fri, 25 Mar 2016) $ #$Revision: 179855 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/51/7015146.cif $ #-------------------------------------------------------------------...
1,100,737
41.072
0.008
16.152
0.003
24.933
0.005
90
null
104.63
0.03
90
null
16,004
6
100
2
100
2
null
null
null
null
8
C 1 2/c 1
-C 2yc
15
- Cl4 H92 K4 Na6 Nd O162 P4 W34 -
- Cl4 K4 Na4 Nd O162 P4 W34 -
- Cl16 K16 Na16 Nd4 O648 P16 W136 -
4
0.5
Cheng Zhang; Robertha C. Howell; Qun-Hui Luo; Heidi L. Fieselmann; Louis J. Todaro; Lynn C. Francesconi
Influence of Steric and Electronic Properties of the Defect Site, Lanthanide Ionic Radii, and Solution Conditions on the Composition of Lanthanide(III) α1-P2W17O6110-Polyoxometalates
Inorganic Chemistry
2,005
44
3569
3578
10.1021/ic050103o
0.71073
MoKα
0.1846
0.1221
null
null
0.2982
0.3469
null
null
null
null
null
1.044
null
null
has coordinates
Cheng Zhang; Robertha C. Howell; Qun-Hui Luo; Heidi L. Fieselmann; Louis J. Todaro; Lynn C. Francesconi Influence of Steric and Electronic Properties of the Defect Site, Lanthanide Ionic Radii, and Solution Conditions on the Composition of Lanthanide(III) α1-P2W17O6110-Polyoxometalates Inorganic Chemistry 44 (2005) 356...
186,650
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-09-20 14:11:36 +0300 (Tue, 20 Sep 2016) $ #$Revision: 186650 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/07/1100737.cif $ #-------------------------------------------------------------------...
1,100,738
13.236
0.002
13.659
0.002
14.778
0.002
94.841
0.003
101.952
0.004
97.012
0.004
2,577.7
0.6
223.2
null
null
null
null
null
null
null
6
P -1
-P 1
2
- C58 H61 B Mn N5 O2 -
- C58 H61 B Mn N5 O2 -
- C116 H122 B2 Mn2 N10 O4 -
2
1
Yutaka Hitomi; Akira Ando; Hajime Matsui; Tomoyuki Ito; Tsunehiro Tanaka; Seiji Ogo; Takuzo Funabiki
Aerobic Catechol Oxidation Catalyzed by a Bis(μ-oxo)dimanganese(III,III) Complex via a Manganese(II)-Semiquinonate Complex
Inorganic Chemistry
2,005
44
3473
3478
10.1021/ic050109d
0.7107
MoKα
null
0.0554
null
null
null
0.1279
null
null
null
null
null
1.618
null
null
has coordinates
Yutaka Hitomi; Akira Ando; Hajime Matsui; Tomoyuki Ito; Tsunehiro Tanaka; Seiji Ogo; Takuzo Funabiki Aerobic Catechol Oxidation Catalyzed by a Bis(μ-oxo)dimanganese(III,III) Complex via a Manganese(II)-Semiquinonate Complex Inorganic Chemistry 44 (2005) 3473-3478
301,773
2025-08-18
12:42:42
#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:40:47 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301773 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/07/1100738.cif $ #-------------------------------------------------------------------...
1,100,739
19.474
0.002
14.884
0.002
24.538
0.003
90
null
105.37
0.003
90
null
6,858
1.4
243.2
null
null
null
null
null
null
null
6
C 1 2/c 1
-C 2yc
15
- C84 H76 B2 Mn2 N8 O2 -
- C84 H76 B2 Mn2 N8 O2 -
- C336 H304 B8 Mn8 N32 O8 -
4
0.5
Yutaka Hitomi; Akira Ando; Hajime Matsui; Tomoyuki Ito; Tsunehiro Tanaka; Seiji Ogo; Takuzo Funabiki
Aerobic Catechol Oxidation Catalyzed by a Bis(μ-oxo)dimanganese(III,III) Complex via a Manganese(II)-Semiquinonate Complex
Inorganic Chemistry
2,005
44
3473
3478
10.1021/ic050109d
0.7107
MoKα
null
0.066
null
null
null
0.1797
null
null
null
null
null
1.055
null
null
has coordinates
Yutaka Hitomi; Akira Ando; Hajime Matsui; Tomoyuki Ito; Tsunehiro Tanaka; Seiji Ogo; Takuzo Funabiki Aerobic Catechol Oxidation Catalyzed by a Bis(μ-oxo)dimanganese(III,III) Complex via a Manganese(II)-Semiquinonate Complex Inorganic Chemistry 44 (2005) 3473-3478
301,773
2025-08-18
12:42:42
#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:40:47 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301773 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/07/1100739.cif $ #-------------------------------------------------------------------...
1,100,740
10.9413
0.0017
11.9501
0.0017
13.0235
0.0016
77.422
0.016
76.19
0.017
74.858
0.017
1,574.1
0.4
293
2
293
2
null
null
null
null
7
P -1
-P 1
2
(PPh4)[Ni(midt)2]
- C32 H22 N2 Ni O4 P S4 -
- C32 H22 N2 Ni O4 P S4 -
- C64 H44 N4 Ni2 O8 P2 S8 -
2
1
Stéphane A. Baudron; Narcis Avarvari; Patrick Batail
A Straightforward Synthesis of Diverse Nickel Dithiolene Complexes Appended with Hydrogen-Bond Donor/Acceptor Groups
Inorganic Chemistry
2,005
44
3380
3382
10.1021/ic050174n
0.71073
MoKα
0.0872
0.0396
null
null
0.0702
0.0783
null
null
null
null
null
0.781
null
null
has coordinates
Stéphane A. Baudron; Narcis Avarvari; Patrick Batail A Straightforward Synthesis of Diverse Nickel Dithiolene Complexes Appended with Hydrogen-Bond Donor/Acceptor Groups Inorganic Chemistry 44 (2005) 3380-3382
176,729
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/07/1100740.cif $ #-------------------------------------------------------------------...
1,100,741
13.0034
0.0012
18.3544
0.0014
22.048
0.002
90
null
93.924
0.011
90
null
5,249.9
0.8
200
2
200
2
null
null
null
null
7
P 1 21/c 1
-P 2ybc
14
(PPh4)2 Ni(midt)2 CH3CN
- C58 H45 N3 Ni O4 P2 S4 -
- C58 H45 N3 Ni O4 P2 S4 -
- C232 H180 N12 Ni4 O16 P8 S16 -
4
1
Stéphane A. Baudron; Narcis Avarvari; Patrick Batail
A Straightforward Synthesis of Diverse Nickel Dithiolene Complexes Appended with Hydrogen-Bond Donor/Acceptor Groups
Inorganic Chemistry
2,005
44
3380
3382
10.1021/ic050174n
0.71073
MoKα
0.067
0.0291
null
null
0.0488
0.0585
null
null
null
null
null
0.711
null
null
has coordinates
Stéphane A. Baudron; Narcis Avarvari; Patrick Batail A Straightforward Synthesis of Diverse Nickel Dithiolene Complexes Appended with Hydrogen-Bond Donor/Acceptor Groups Inorganic Chemistry 44 (2005) 3380-3382
176,729
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/07/1100741.cif $ #-------------------------------------------------------------------...
7,015,145
9.284
0.009
15.491
0.007
5.29
0.002
90
null
92.41
0.1
90
null
760.1
0.9
173
1
173
1
null
null
null
null
4
C 1 2/m 1
-C 2y
12
- Ag As F6 Se3 -
- Ag As F6 Se3 -
- Ag4 As4 F24 Se12 -
4
0.5
Aris, Damian; Beck, Johannes; Decken, Andreas; Dionne, Isabelle; Schmedt Auf der Günne, Jörn; Hoffbauer, Wilfried; Köchner, Tobias; Krossing, Ingo; Passmore, Jack; Rivard, Eric; Steden, Folker; Wang, Xinping
Metastable Se(6) as a ligand for Ag(+): from isolated molecular to polymeric 1D and 2D structures.
Dalton transactions (Cambridge, England : 2003)
2,011
40
22
5865
5880
10.1039/c0dt01251c
x-ray
0.71073
MoKα
0.0575
0.0322
null
null
0.0453
0.0483
null
null
null
null
null
0.846
null
null
has coordinates
Aris, Damian; Beck, Johannes; Decken, Andreas; Dionne, Isabelle; Schmedt Auf der Günne, Jörn; Hoffbauer, Wilfried; Köchner, Tobias; Krossing, Ingo; Passmore, Jack; Rivard, Eric; Steden, Folker; Wang, Xinping Metastable Se(6) as a ligand for Ag(+): from isolated molecular to polymeric 1D and 2D structures. Dalton transa...
179,855
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-25 13:38:46 +0200 (Fri, 25 Mar 2016) $ #$Revision: 179855 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/51/7015145.cif $ #-------------------------------------------------------------------...
1,100,742
13.0984
0.0016
13.3622
0.0019
15.772
0.002
90.929
0.016
108.964
0.014
113.839
0.014
2,352.9
0.7
200
2
200
2
null
null
null
null
6
P -1
-P 1
2
(n-Bu4N)2(Ni(midt)2)
- C40 H74 N4 Ni O4 S4 -
- C40 H74 N4 Ni O4 S4 -
- C80 H148 N8 Ni2 O8 S8 -
2
1
Stéphane A. Baudron; Narcis Avarvari; Patrick Batail
A Straightforward Synthesis of Diverse Nickel Dithiolene Complexes Appended with Hydrogen-Bond Donor/Acceptor Groups
Inorganic Chemistry
2,005
44
3380
3382
10.1021/ic050174n
0.71073
MoKα
0.0678
0.0354
null
null
0.0734
0.0793
null
null
null
null
null
0.854
null
null
has coordinates
Stéphane A. Baudron; Narcis Avarvari; Patrick Batail A Straightforward Synthesis of Diverse Nickel Dithiolene Complexes Appended with Hydrogen-Bond Donor/Acceptor Groups Inorganic Chemistry 44 (2005) 3380-3382
176,729
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/07/1100742.cif $ #-------------------------------------------------------------------...
1,100,743
10.318
0.0014
13.0706
0.0019
15.399
0.002
114.341
0.015
94.651
0.016
101.106
0.017
1,826.6
0.5
293
2
293
2
null
null
null
null
7
P -1
-P 1
2
(PPh4)[Ni(madt)2](H2O)
- C32 H24 N4 Ni O5 P S4 -
- C32 H28 N4 Ni O5 P S4 -
- C64 H56 N8 Ni2 O10 P2 S8 -
2
1
Stéphane A. Baudron; Narcis Avarvari; Patrick Batail
A Straightforward Synthesis of Diverse Nickel Dithiolene Complexes Appended with Hydrogen-Bond Donor/Acceptor Groups
Inorganic Chemistry
2,005
44
3380
3382
10.1021/ic050174n
0.71073
MoKα
0.0803
0.0549
null
null
0.1789
0.1938
null
null
null
null
null
0.993
null
null
has coordinates
Stéphane A. Baudron; Narcis Avarvari; Patrick Batail A Straightforward Synthesis of Diverse Nickel Dithiolene Complexes Appended with Hydrogen-Bond Donor/Acceptor Groups Inorganic Chemistry 44 (2005) 3380-3382
176,729
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/07/1100743.cif $ #-------------------------------------------------------------------...
1,100,744
9.1252
0.0017
11.804
0.003
12.478
0.003
70.09
0.03
77.79
0.02
76.68
0.03
1,216.7
0.5
200
2
200
2
null
null
null
null
6
P -1
-P 1
2
(n-Bu4N)[Ni(mant)2]
- C40 H76 N6 Ni O2 S4 -
- C40 H76 N6 Ni O2 S4 -
- C40 H76 N6 Ni O2 S4 -
1
0.5
Stéphane A. Baudron; Narcis Avarvari; Patrick Batail
A Straightforward Synthesis of Diverse Nickel Dithiolene Complexes Appended with Hydrogen-Bond Donor/Acceptor Groups
Inorganic Chemistry
2,005
44
3380
3382
10.1021/ic050174n
0.71073
MoKα
0.1528
0.0414
null
null
0.0625
0.0874
null
null
null
null
null
0.592
null
null
has coordinates
Stéphane A. Baudron; Narcis Avarvari; Patrick Batail A Straightforward Synthesis of Diverse Nickel Dithiolene Complexes Appended with Hydrogen-Bond Donor/Acceptor Groups Inorganic Chemistry 44 (2005) 3380-3382
176,729
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/07/1100744.cif $ #-------------------------------------------------------------------...
1,100,745
10.1114
0.0016
13.1679
0.0017
14.002
0.002
72.019
0.016
70.639
0.017
77.02
0.017
1,657.4
0.5
293
2
293
2
null
null
null
null
7
P -1
-P 1
2
(n-Bu4N)2[Ni(mant)2]
- C32 H24 N4 Ni O2 P S4 -
- C32 H24 N4 Ni O2 P S4 -
- C64 H48 N8 Ni2 O4 P2 S8 -
2
1
Stéphane A. Baudron; Narcis Avarvari; Patrick Batail
A Straightforward Synthesis of Diverse Nickel Dithiolene Complexes Appended with Hydrogen-Bond Donor/Acceptor Groups
Inorganic Chemistry
2,005
44
3380
3382
10.1021/ic050174n
0.71073
MoKα
0.1752
0.0515
null
null
0.0911
0.1162
null
null
null
null
null
0.728
null
null
has coordinates
Stéphane A. Baudron; Narcis Avarvari; Patrick Batail A Straightforward Synthesis of Diverse Nickel Dithiolene Complexes Appended with Hydrogen-Bond Donor/Acceptor Groups Inorganic Chemistry 44 (2005) 3380-3382
176,729
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/07/1100745.cif $ #-------------------------------------------------------------------...
1,100,746
6.403
0.005
10.388
0.005
16.976
0.005
84.087
0.005
84.161
0.005
79.369
0.005
1,099.9
1.1
176
2
176
2
null
null
null
null
6
P -1
-P 1
2
- C24 H14 Cl N4 O5 Re -
- C24 H14 Cl N4 O5 Re -
- C48 H28 Cl2 N8 O10 Re2 -
2
1
Natasha J. Lundin; Penny J. Walsh; Sarah L. Howell; John J. McGarvey; Allan G. Blackman; Keith C. Gordon
Complexes of Functionalized Dipyrido[3,2-a:2',3'-c]-phenazine: A Synthetic, Spectroscopic, Structural, and Density Functional Theory Study
Inorganic Chemistry
2,005
44
3551
3560
10.1021/ic050179k
0.71069
MoKα
0.0536
0.041
null
null
0.0928
0.0978
null
null
null
null
null
1.089
null
null
has coordinates
Natasha J. Lundin; Penny J. Walsh; Sarah L. Howell; John J. McGarvey; Allan G. Blackman; Keith C. Gordon Complexes of Functionalized Dipyrido[3,2-a:2',3'-c]-phenazine: A Synthetic, Spectroscopic, Structural, and Density Functional Theory Study Inorganic Chemistry 44 (2005) 3551-3560
176,729
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/07/1100746.cif $ #-------------------------------------------------------------------...
7,015,144
21.821
0.005
10.748
0.003
10.718
0.003
90
null
119.113
0.003
90
null
2,196.1
1
173
1
173
1
null
null
null
null
4
C 1 2/c 1
-C 2yc
15
- Ag3 F18 Sb3 Se6 -
- Ag3 F18 Sb3 Se6 -
- Ag12 F72 Sb12 Se24 -
4
0.5
Aris, Damian; Beck, Johannes; Decken, Andreas; Dionne, Isabelle; Schmedt Auf der Günne, Jörn; Hoffbauer, Wilfried; Köchner, Tobias; Krossing, Ingo; Passmore, Jack; Rivard, Eric; Steden, Folker; Wang, Xinping
Metastable Se(6) as a ligand for Ag(+): from isolated molecular to polymeric 1D and 2D structures.
Dalton transactions (Cambridge, England : 2003)
2,011
40
22
5865
5880
10.1039/c0dt01251c
x-ray
0.71073
MoKα
0.0605
0.0381
null
null
0.0885
0.0957
null
null
null
null
null
1.095
null
null
has coordinates
Aris, Damian; Beck, Johannes; Decken, Andreas; Dionne, Isabelle; Schmedt Auf der Günne, Jörn; Hoffbauer, Wilfried; Köchner, Tobias; Krossing, Ingo; Passmore, Jack; Rivard, Eric; Steden, Folker; Wang, Xinping Metastable Se(6) as a ligand for Ag(+): from isolated molecular to polymeric 1D and 2D structures. Dalton transa...
179,855
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-25 13:38:46 +0200 (Fri, 25 Mar 2016) $ #$Revision: 179855 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/51/7015144.cif $ #-------------------------------------------------------------------...
1,100,747
19.506
0.005
18.043
0.005
13.32
0.005
90
null
114.936
0.005
90
null
4,251
2
164
2
164
2
null
null
null
null
7
C 1 2/c 1
-C 2yc
15
- C22 H12 Br Cl N4 O4 Re -
- C22 H12 Br Cl N4 O4 Re -
- C176 H96 Br8 Cl8 N32 O32 Re8 -
8
1
Natasha J. Lundin; Penny J. Walsh; Sarah L. Howell; John J. McGarvey; Allan G. Blackman; Keith C. Gordon
Complexes of Functionalized Dipyrido[3,2-a:2',3'-c]-phenazine: A Synthetic, Spectroscopic, Structural, and Density Functional Theory Study
Inorganic Chemistry
2,005
44
3551
3560
10.1021/ic050179k
0.71069
MoKα
0.0345
0.0298
null
null
0.0791
0.0827
null
null
null
null
null
1.067
null
null
has coordinates,has disorder
Natasha J. Lundin; Penny J. Walsh; Sarah L. Howell; John J. McGarvey; Allan G. Blackman; Keith C. Gordon Complexes of Functionalized Dipyrido[3,2-a:2',3'-c]-phenazine: A Synthetic, Spectroscopic, Structural, and Density Functional Theory Study Inorganic Chemistry 44 (2005) 3551-3560
176,729
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/07/1100747.cif $ #-------------------------------------------------------------------...
1,100,748
10.523
0.005
13.556
0.005
12.465
0.005
110.15
0.01
95.25
0.02
92.05
0.02
1,658
1.2
298
null
298
null
null
null
null
null
6
P -1
-P 1
2
- C54 H70.16 Cl2 Co4 N12 O27.08 -
- C54 H48 Cl2 Co4 N12 O27.08 -
- C54 H48 Cl2 Co4 N12 O27.08 -
1
0.5
Theocharis C. Stamatatos; Stavroula Dionyssopoulou; Georgios Efthymiou; Panayotis Kyritsis; Catherine P. Raptopoulou; Aris Terzis; Ramon Vicente; Albert Escuer; Spyros P. Perlepes
The First Cobalt Metallacrowns: Preparation and Characterization of Mixed-Valence Cobalt(II/III), Inverse 12-Metallacrown-4 Complexes
Inorganic Chemistry
2,005
44
3374
3376
10.1021/ic050208r
0.71073
MoKα
0.0785
0.0596
null
0.1696
0.1546
null
null
null
1.093
1.136
1.136
null
null
null
has coordinates
Theocharis C. Stamatatos; Stavroula Dionyssopoulou; Georgios Efthymiou; Panayotis Kyritsis; Catherine P. Raptopoulou; Aris Terzis; Ramon Vicente; Albert Escuer; Spyros P. Perlepes The First Cobalt Metallacrowns: Preparation and Characterization of Mixed-Valence Cobalt(II/III), Inverse 12-Metallacrown-4 Complexes Inorga...
176,729
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/07/1100748.cif $ #-------------------------------------------------------------------...
1,100,749
11.867
0.004
14.534
0.006
12.289
0.005
70.09
0.01
80.6
0.01
69.86
0.01
1,868.5
1.3
298
null
298
null
null
null
null
null
7
P -1
-P 1
2
- C59.6 H78.4 Co4 F12 N12 O17.6 P2 -
- C59.6 H44 Co4 F12 N12 O17.6 P2 -
- C59.6 H44 Co4 F12 N12 O17.6 P2 -
1
0.5
Theocharis C. Stamatatos; Stavroula Dionyssopoulou; Georgios Efthymiou; Panayotis Kyritsis; Catherine P. Raptopoulou; Aris Terzis; Ramon Vicente; Albert Escuer; Spyros P. Perlepes
The First Cobalt Metallacrowns: Preparation and Characterization of Mixed-Valence Cobalt(II/III), Inverse 12-Metallacrown-4 Complexes
Inorganic Chemistry
2,005
44
3374
3376
10.1021/ic050208r
0.71073
MoKα
0.0838
0.0544
null
null
0.139
0.1602
null
null
null
null
null
1.068
null
null
has coordinates
Theocharis C. Stamatatos; Stavroula Dionyssopoulou; Georgios Efthymiou; Panayotis Kyritsis; Catherine P. Raptopoulou; Aris Terzis; Ramon Vicente; Albert Escuer; Spyros P. Perlepes The First Cobalt Metallacrowns: Preparation and Characterization of Mixed-Valence Cobalt(II/III), Inverse 12-Metallacrown-4 Complexes Inorga...
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/1/10/07/1100749.cif $ #-------------------------------------------------------------------...
1,100,750
6.8211
0.0014
9.6203
0.0019
13.172
0.003
90
null
90
null
90
null
864.4
0.3
293
2
293
2
null
null
null
null
5
P m c 21
P 2c -2
26
- Ba6 Cl3 Mn4 O34 Si12 -
- Ba6 Cl3 Mn4 O34 Si12 -
- Ba6 Cl3 Mn4 O34 Si12 -
1
0.25
Xunhua Mo; Erin Ferguson; Shiou-Jyh Hwu
Salt-Inclusion Synthesis of Two New Polar Solids, Ba6Mn4Si12O34Cl3 and Ba6Fe5Si11O34Cl3
Inorganic Chemistry
2,005
44
3121
3126
10.1021/ic050228t
0.71073
MoKα
0.0474
0.0405
null
null
0.0868
0.0906
null
null
null
null
null
1.002
null
null
has coordinates
Xunhua Mo; Erin Ferguson; Shiou-Jyh Hwu Salt-Inclusion Synthesis of Two New Polar Solids, Ba6Mn4Si12O34Cl3 and Ba6Fe5Si11O34Cl3 Inorganic Chemistry 44 (2005) 3121-3126
176,729
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/07/1100750.cif $ #-------------------------------------------------------------------...
7,015,143
19.1532
0.0002
19.1532
0.0002
19.1532
0.0002
90
null
90
null
90
null
7,026.26
0.13
213
1
213
1
null
null
null
null
7
P a -3
-P 2ac 2ab 3
205
- Ag2 F60 O16 S2 Sb2 Se6 Te12 -
- Ag2 F60 O15.96 S2 Sb2 Se6 Te12 -
- Ag8 F240 O63.84 S8 Sb8 Se24 Te48 -
4
0.166667
Aris, Damian; Beck, Johannes; Decken, Andreas; Dionne, Isabelle; Schmedt Auf der Günne, Jörn; Hoffbauer, Wilfried; Köchner, Tobias; Krossing, Ingo; Passmore, Jack; Rivard, Eric; Steden, Folker; Wang, Xinping
Metastable Se(6) as a ligand for Ag(+): from isolated molecular to polymeric 1D and 2D structures.
Dalton transactions (Cambridge, England : 2003)
2,011
40
22
5865
5880
10.1039/c0dt01251c
x-ray
0.71073
MoKα
0.0673
0.0502
null
null
0.0802
0.0852
null
null
null
null
null
1.181
null
null
has coordinates
Aris, Damian; Beck, Johannes; Decken, Andreas; Dionne, Isabelle; Schmedt Auf der Günne, Jörn; Hoffbauer, Wilfried; Köchner, Tobias; Krossing, Ingo; Passmore, Jack; Rivard, Eric; Steden, Folker; Wang, Xinping Metastable Se(6) as a ligand for Ag(+): from isolated molecular to polymeric 1D and 2D structures. Dalton transa...
176,432
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176432 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/51/7015143.cif $ #-------------------------------------------------------------------...
1,100,751
6.8782
0.0014
9.6635
0.0019
13.098
0.003
90
null
90
null
90
null
870.6
0.3
298
2
298
2
null
null
null
null
5
P m c 21
P 2c -2
26
- Ba6 Cl3 Fe5 O34 Si11 -
- Ba6 Cl3 Fe5 O34 Si11 -
- Ba6 Cl3 Fe5 O34 Si11 -
1
0.25
Xunhua Mo; Erin Ferguson; Shiou-Jyh Hwu
Salt-Inclusion Synthesis of Two New Polar Solids, Ba6Mn4Si12O34Cl3 and Ba6Fe5Si11O34Cl3
Inorganic Chemistry
2,005
44
3121
3126
10.1021/ic050228t
0.71073
MoKα
0.027
0.026
null
null
0.0557
0.0561
null
null
null
null
null
1.074
null
null
has coordinates,has disorder
Xunhua Mo; Erin Ferguson; Shiou-Jyh Hwu Salt-Inclusion Synthesis of Two New Polar Solids, Ba6Mn4Si12O34Cl3 and Ba6Fe5Si11O34Cl3 Inorganic Chemistry 44 (2005) 3121-3126
176,729
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/07/1100751.cif $ #-------------------------------------------------------------------...
1,100,752
17.5832
0.0004
17.5832
0.0004
12.1881
0.0006
90
null
90
null
90
null
3,768.2
0.2
293
2
293
2
null
null
null
null
6
I 41/a :2
-I 4ad
88
- C10 H10 Cl5 Cu5 N2 S2 -
- C10 H10 Cl5 Cu5 N2 S2 -
- C80 H80 Cl40 Cu40 N16 S16 -
8
0.5
Jian-Kai Cheng; Yu-Biao Chen; Ling Wu; Jian Zhang; Yi-Hang Wen; Zhao-Ji Li; Yuan-Gen Yao
A 3-D Noninterpenetrating Diamondoid Network of a Decanuclear Copper(I) Complex
Inorganic Chemistry
2,005
44
3386
3388
10.1021/ic050301f
0.71073
MoKα
null
0.0559
null
null
0.1001
0.1216
null
null
null
null
null
1.063
null
null
has coordinates
Jian-Kai Cheng; Yu-Biao Chen; Ling Wu; Jian Zhang; Yi-Hang Wen; Zhao-Ji Li; Yuan-Gen Yao A 3-D Noninterpenetrating Diamondoid Network of a Decanuclear Copper(I) Complex Inorganic Chemistry 44 (2005) 3386-3388
176,432
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176432 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/07/1100752.cif $ #-------------------------------------------------------------------...
1,100,753
13.9
0.04
18.83
0.05
19.15
0.05
91.11
0.05
93.27
0.05
90.39
0.05
5,003
2
108
2
108
2
null
null
null
null
8
P -1
-P 1
2
- C92 H118 Cl2 F12 N16 O9 Pt2 Sb2 -
- C92 H118 Cl2 F12 N16 O9 Pt2 Sb2 -
- C184 H236 Cl4 F24 N32 O18 Pt4 Sb4 -
2
1
James D. Crowley; Ian M. Steele; B. Bosnich
Supramolecular Recognition Forces: An Examination of Weak Metal-Metal Interactions in Host-Guest Formation
Inorganic Chemistry
2,005
44
2989
2991
10.1021/ic0481531
0.71073
MoKα
0.0793
0.0678
null
null
0.1767
0.183
null
null
null
null
null
1.075
null
null
has coordinates
James D. Crowley; Ian M. Steele; B. Bosnich Supramolecular Recognition Forces: An Examination of Weak Metal-Metal Interactions in Host-Guest Formation Inorganic Chemistry 44 (2005) 2989-2991
176,729
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/07/1100753.cif $ #-------------------------------------------------------------------...
1,100,754
15.917
0.003
17.412
0.003
4.9587
0.001
90
null
90
null
90
null
1,374.3
0.4
100
2
100
2
null
null
null
null
4
P 21 21 2
P 2 2ab
18
- C18 H11 Au N2 -
- C18 H11 Au N2 -
- C72 H44 Au4 N8 -
4
1
James D. Crowley; Ian M. Steele; B. Bosnich
Supramolecular Recognition Forces: An Examination of Weak Metal-Metal Interactions in Host-Guest Formation
Inorganic Chemistry
2,005
44
2989
2991
10.1021/ic0481531
0.71073
MoKα
0.0358
0.0331
null
null
0.078
0.0787
null
null
null
null
null
1.043
null
null
has coordinates
James D. Crowley; Ian M. Steele; B. Bosnich Supramolecular Recognition Forces: An Examination of Weak Metal-Metal Interactions in Host-Guest Formation Inorganic Chemistry 44 (2005) 2989-2991
176,729
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/07/1100754.cif $ #-------------------------------------------------------------------...
1,100,755
15.1085
0.0011
17.2305
0.0013
18.5398
0.0014
109.456
0.004
111.06
0.004
90.56
0.004
4,200.6
0.6
113
2
113
2
null
null
null
null
5
P -1
-P 1
2
- C41.5 H56.75 Fe N5.25 O6 -
- C41.5 H56.75 Fe N5.25 O6 -
- C166 H227 Fe4 N21 O24 -
4
2
Panagiotis Angaridis; Jeff W. Kampf; Vincent L. Pecoraro
Multinuclear Fe(III) Complexes with Polydentate Ligands of the Family of Dicarboxyimidazoles: Nuclearity- and Topology-Controlled Syntheses and Magneto-Structural Correlations
Inorganic Chemistry
2,005
44
3626
3635
10.1021/ic0481879
0.71073
MoKα
0.1202
0.0751
null
null
0.1898
0.2148
null
null
null
null
null
0.981
null
null
has coordinates,has disorder
Panagiotis Angaridis; Jeff W. Kampf; Vincent L. Pecoraro Multinuclear Fe(III) Complexes with Polydentate Ligands of the Family of Dicarboxyimidazoles: Nuclearity- and Topology-Controlled Syntheses and Magneto-Structural Correlations Inorganic Chemistry 44 (2005) 3626-3635
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/1/10/07/1100755.cif $ #-------------------------------------------------------------------...
1,100,756
11.162
0.003
19.736
0.004
21.367
0.005
68.17
0.004
76.554
0.004
74.682
0.004
4,166.6
1.7
123
2
123
2
null
null
null
null
6
P -1
-P 1
2
- C78.5 H110.5 Cl3 Fe2 N8.5 O8 -
- C77.5 H109 Cl3 Fe2 N8 O8 -
- C155 H218 Cl6 Fe4 N16 O16 -
2
1
Panagiotis Angaridis; Jeff W. Kampf; Vincent L. Pecoraro
Multinuclear Fe(III) Complexes with Polydentate Ligands of the Family of Dicarboxyimidazoles: Nuclearity- and Topology-Controlled Syntheses and Magneto-Structural Correlations
Inorganic Chemistry
2,005
44
3626
3635
10.1021/ic0481879
0.71073
MoKα
0.0787
0.0591
null
null
0.1742
0.1851
null
null
null
null
null
1.08
null
null
has coordinates,has disorder
Panagiotis Angaridis; Jeff W. Kampf; Vincent L. Pecoraro Multinuclear Fe(III) Complexes with Polydentate Ligands of the Family of Dicarboxyimidazoles: Nuclearity- and Topology-Controlled Syntheses and Magneto-Structural Correlations Inorganic Chemistry 44 (2005) 3626-3635
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/1/10/07/1100756.cif $ #-------------------------------------------------------------------...
7,015,142
10.639
0.002
13.638
0.003
13.834
0.003
71.06
0.03
78.05
0.03
86.37
0.03
1,857.4
0.8
110
2
110
2
null
null
null
null
7
P -1
-P 1
2
- C16 Ag Al F36 O8 S2 Se3 -
- C16 Ag Al F36 O8 S2 Se3 -
- C32 Ag2 Al2 F72 O16 S4 Se6 -
2
1
Aris, Damian; Beck, Johannes; Decken, Andreas; Dionne, Isabelle; Schmedt Auf der Günne, Jörn; Hoffbauer, Wilfried; Köchner, Tobias; Krossing, Ingo; Passmore, Jack; Rivard, Eric; Steden, Folker; Wang, Xinping
Metastable Se(6) as a ligand for Ag(+): from isolated molecular to polymeric 1D and 2D structures.
Dalton transactions (Cambridge, England : 2003)
2,011
40
22
5865
5880
10.1039/c0dt01251c
x-ray
0.71073
MoKα
0.1651
0.1104
null
null
0.2816
0.3321
null
null
null
null
null
1.087
null
null
has coordinates,has disorder
Aris, Damian; Beck, Johannes; Decken, Andreas; Dionne, Isabelle; Schmedt Auf der Günne, Jörn; Hoffbauer, Wilfried; Köchner, Tobias; Krossing, Ingo; Passmore, Jack; Rivard, Eric; Steden, Folker; Wang, Xinping Metastable Se(6) as a ligand for Ag(+): from isolated molecular to polymeric 1D and 2D structures. Dalton transa...
179,855
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-25 13:38:46 +0200 (Fri, 25 Mar 2016) $ #$Revision: 179855 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/51/7015142.cif $ #-------------------------------------------------------------------...
1,100,757
12.641
0.002
17.362
0.003
33.972
0.006
80.73
0.011
88.282
0.011
85.548
0.011
7,335
2
113
2
113
2
null
null
null
null
5
P -1
-P 1
2
- C71 H98 Fe2 N6 O8 -
- C70.8185 H97.4555 Fe2 N6 O8 -
- C283.274 H389.822 Fe8 N24 O32 -
4
2
Panagiotis Angaridis; Jeff W. Kampf; Vincent L. Pecoraro
Multinuclear Fe(III) Complexes with Polydentate Ligands of the Family of Dicarboxyimidazoles: Nuclearity- and Topology-Controlled Syntheses and Magneto-Structural Correlations
Inorganic Chemistry
2,005
44
3626
3635
10.1021/ic0481879
0.71073
MoKα
0.0973
0.0571
null
null
0.1344
0.1539
null
null
null
null
null
1.018
null
null
has coordinates,has disorder
Panagiotis Angaridis; Jeff W. Kampf; Vincent L. Pecoraro Multinuclear Fe(III) Complexes with Polydentate Ligands of the Family of Dicarboxyimidazoles: Nuclearity- and Topology-Controlled Syntheses and Magneto-Structural Correlations Inorganic Chemistry 44 (2005) 3626-3635
176,729
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/07/1100757.cif $ #-------------------------------------------------------------------...
1,100,758
26.567
0.005
15.983
0.003
26.753
0.005
90
null
104.552
0.003
90
null
10,995
4
113
2
113
2
null
null
null
null
5
P 1 21/c 1
-P 2ybc
14
- C109 H152.5 Fe3 N10.5 O10 -
- C109 H152.5 Fe3 N10.5 O10 -
- C436 H610 Fe12 N42 O40 -
4
1
Panagiotis Angaridis; Jeff W. Kampf; Vincent L. Pecoraro
Multinuclear Fe(III) Complexes with Polydentate Ligands of the Family of Dicarboxyimidazoles: Nuclearity- and Topology-Controlled Syntheses and Magneto-Structural Correlations
Inorganic Chemistry
2,005
44
3626
3635
10.1021/ic0481879
0.71073
MoKα
0.0715
0.0439
null
null
0.1126
0.1267
null
null
null
null
null
1.023
null
null
has coordinates
Panagiotis Angaridis; Jeff W. Kampf; Vincent L. Pecoraro Multinuclear Fe(III) Complexes with Polydentate Ligands of the Family of Dicarboxyimidazoles: Nuclearity- and Topology-Controlled Syntheses and Magneto-Structural Correlations Inorganic Chemistry 44 (2005) 3626-3635
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/1/10/07/1100758.cif $ #-------------------------------------------------------------------...
1,100,759
6.72
0.002
9.494
0.003
10.682
0.003
111.979
0.004
96.879
0.005
106.678
0.005
585.3
0.3
293
2
293
2
null
null
null
null
5
P -1
-P 1
2
- C4 H10 Cu3 N4 O5 -
- C4 H10 Cu3 N4 O5 -
- C8 H20 Cu6 N8 O10 -
2
1
Ji-Min Zheng; Stuart R. Batten; Miao Du
A Unique Cyanide-Bridged Three-Dimensional (3-D) Copper(II)-Copper(I) Mixed-Valence Polymer Containing 1-D Water Tapes with Cyclic Pentamer Units
Inorganic Chemistry
2,005
44
3371
3373
10.1021/ic0483491
0.71073
MoKα
0.0461
0.0387
null
null
0.1041
0.1094
null
null
null
null
null
1.047
null
null
has coordinates
Ji-Min Zheng; Stuart R. Batten; Miao Du A Unique Cyanide-Bridged Three-Dimensional (3-D) Copper(II)-Copper(I) Mixed-Valence Polymer Containing 1-D Water Tapes with Cyclic Pentamer Units Inorganic Chemistry 44 (2005) 3371-3373
176,729
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/07/1100759.cif $ #-------------------------------------------------------------------...
1,100,760
9.5419
0.0014
11.8807
0.0017
11.9229
0.0018
93.561
0.003
93.604
0.003
109.951
0.002
1,263
0.3
153
2
153
2
null
null
null
null
5
P -1
-P 1
2
- C46 H40 P2 Ru2 Se4 -
- C46 H40 P2 Ru2 Se4 -
- C46 H40 P2 Ru2 Se4 -
1
0.5
Sergey M. Dibrov; Bin Deng; Donald E. Ellis; James A. Ibers
Synthesis and Structural Characterization of Some Selenoruthenates and Telluroruthenates
Inorganic Chemistry
2,005
44
3441
3448
10.1021/ic0483646
0.71073
MoKα
0.0686
0.0443
null
null
0.1192
0.1295
null
null
null
null
null
1.02
null
null
has coordinates
Sergey M. Dibrov; Bin Deng; Donald E. Ellis; James A. Ibers Synthesis and Structural Characterization of Some Selenoruthenates and Telluroruthenates Inorganic Chemistry 44 (2005) 3441-3448
176,729
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/07/1100760.cif $ #-------------------------------------------------------------------...
7,015,141
10.7296
0.0002
25.7495
0.0004
11.2096
0.0002
90
null
97.289
0.002
90
null
3,071.98
0.09
100
2
100
2
null
null
null
null
7
P 1 c 1
P -2yc
7
- C32 H30 Cl2 F6 Fe3 O P -
- C32 H30 Cl2 F6 Fe3 O P -
- C128 H120 Cl8 F24 Fe12 O4 P4 -
4
2
Butenschön, Holger; Ma, Jingxiang; Daniliuc, Constantin G.; Nowik, Israel; Herber, Rolfe H.
One electron oxidation of triferrocenylmethanol: synthesis, metal atom dynamics, electron delocalization, and the crystal structure of [Fc3COH](+) PF6⁻.
Dalton transactions (Cambridge, England : 2003)
2,011
40
14
3671
3676
10.1039/c0dt01248c
1.54184
CuKα
0.0469
0.0434
null
null
0.1114
0.1131
null
null
null
null
null
1.107
null
null
has coordinates,has disorder
Butenschön, Holger; Ma, Jingxiang; Daniliuc, Constantin G.; Nowik, Israel; Herber, Rolfe H. One electron oxidation of triferrocenylmethanol: synthesis, metal atom dynamics, electron delocalization, and the crystal structure of [Fc3COH](+) PF6⁻. Dalton transactions (Cambridge, England : 2003) 40(14) (2011) 3671-3676
179,855
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-25 13:38:46 +0200 (Fri, 25 Mar 2016) $ #$Revision: 179855 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/51/7015141.cif $ #-------------------------------------------------------------------...
1,100,761
12.401
0.003
13.607
0.003
14.801
0.003
90
null
110.628
0.003
90
null
2,337.4
0.9
153
2
153
2
null
null
null
null
4
C 1 2/c 1
-C 2yc
15
- C20 H20 Ru4 Se6 -
- C20 H20 Ru4 Se6 -
- C80 H80 Ru16 Se24 -
4
0.5
Sergey M. Dibrov; Bin Deng; Donald E. Ellis; James A. Ibers
Synthesis and Structural Characterization of Some Selenoruthenates and Telluroruthenates
Inorganic Chemistry
2,005
44
3441
3448
10.1021/ic0483646
0.71073
MoKα
0.054
0.0347
null
null
0.0772
0.086
null
null
null
null
null
1.116
null
null
has coordinates
Sergey M. Dibrov; Bin Deng; Donald E. Ellis; James A. Ibers Synthesis and Structural Characterization of Some Selenoruthenates and Telluroruthenates Inorganic Chemistry 44 (2005) 3441-3448
176,729
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/07/1100761.cif $ #-------------------------------------------------------------------...
1,100,762
25.211
0.002
13.8374
0.0012
17.1079
0.0015
90
null
119.506
0.001
90
null
5,194.1
0.8
153
2
153
2
null
null
null
null
5
C 1 2/c 1
-C 2yc
15
- C46 H40 P2 Ru2 Te6 -
- C46 H40 P2 Ru2 Te6 -
- C184 H160 P8 Ru8 Te24 -
4
0.5
Sergey M. Dibrov; Bin Deng; Donald E. Ellis; James A. Ibers
Synthesis and Structural Characterization of Some Selenoruthenates and Telluroruthenates
Inorganic Chemistry
2,005
44
3441
3448
10.1021/ic0483646
0.71073
MoKα
0.0697
0.0426
null
null
0.0932
0.1022
null
null
null
null
null
0.975
null
null
has coordinates
Sergey M. Dibrov; Bin Deng; Donald E. Ellis; James A. Ibers Synthesis and Structural Characterization of Some Selenoruthenates and Telluroruthenates Inorganic Chemistry 44 (2005) 3441-3448
176,729
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/07/1100762.cif $ #-------------------------------------------------------------------...
1,100,763
9.3753
0.0016
14.52
0.002
19.117
0.003
81.536
0.003
83.552
0.003
74.87
0.003
2,477.4
0.7
153
2
153
2
null
null
null
null
6
P -1
-P 1
2
- C47 H42 Cl2 P2 Ru2 Te6 -
- C47 H42 Cl2 P2 Ru2 Te6 -
- C94 H84 Cl4 P4 Ru4 Te12 -
2
1
Sergey M. Dibrov; Bin Deng; Donald E. Ellis; James A. Ibers
Synthesis and Structural Characterization of Some Selenoruthenates and Telluroruthenates
Inorganic Chemistry
2,005
44
3441
3448
10.1021/ic0483646
0.71073
MoKα
0.0719
0.0496
null
null
0.1279
0.1459
null
null
null
null
null
1.063
null
null
has coordinates
Sergey M. Dibrov; Bin Deng; Donald E. Ellis; James A. Ibers Synthesis and Structural Characterization of Some Selenoruthenates and Telluroruthenates Inorganic Chemistry 44 (2005) 3441-3448
176,729
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/07/1100763.cif $ #-------------------------------------------------------------------...
1,100,764
10.1
0.019
13.8
0.03
14.71
0.03
90
null
103.45
0.03
90
null
1,994
7
245
2
245
2
null
null
null
null
6
P 1 21/c 1
-P 2ybc
14
- C60 H92 B4 N24 S8 Zn4 -
- C60 H92 B4 N24 S8 Zn4 -
- C60 H92 B4 N24 S8 Zn4 -
1
0.25
Mian Ji; Boumahdi Benkmil; Heinrich Vahrenkamp
Zinc-Thiolate Complexes of the Bis(pyrazolyl)(thioimidazolyl)hydroborate Tripods for the Modeling of Thiolate Alkylating Enzymes
Inorganic Chemistry
2,005
44
10
3518
3523
10.1021/ic0484147
0.71073
MoKα
0.1094
0.0474
null
null
0.0662
0.0863
null
null
null
null
null
0.604
null
null
has coordinates
Mian Ji; Boumahdi Benkmil; Heinrich Vahrenkamp Zinc-Thiolate Complexes of the Bis(pyrazolyl)(thioimidazolyl)hydroborate Tripods for the Modeling of Thiolate Alkylating Enzymes Inorganic Chemistry 44(10) (2005) 3518-3523
301,773
2025-08-18
12:42:42
#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:40:47 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301773 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/07/1100764.cif $ #-------------------------------------------------------------------...
1,100,765
9.392
0.004
12.838
0.005
19.134
0.008
90
null
90
null
90
null
2,307.1
1.6
230
2
230
2
null
null
null
null
6
P 21 21 21
P 2ac 2ab
19
- C20 H25 B N6 S2 Zn -
- C20 H25 B N6 S2 Zn -
- C80 H100 B4 N24 S8 Zn4 -
4
1
Mian Ji; Boumahdi Benkmil; Heinrich Vahrenkamp
Zinc-Thiolate Complexes of the Bis(pyrazolyl)(thioimidazolyl)hydroborate Tripods for the Modeling of Thiolate Alkylating Enzymes
Inorganic Chemistry
2,005
44
10
3518
3523
10.1021/ic0484147
0.71073
MoKα
0.0451
0.0333
null
null
0.0719
0.0777
null
null
null
null
null
1.067
null
null
has coordinates
Mian Ji; Boumahdi Benkmil; Heinrich Vahrenkamp Zinc-Thiolate Complexes of the Bis(pyrazolyl)(thioimidazolyl)hydroborate Tripods for the Modeling of Thiolate Alkylating Enzymes Inorganic Chemistry 44(10) (2005) 3518-3523
175,230
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-01-28 14:09:35 +0200 (Thu, 28 Jan 2016) $ #$Revision: 175230 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/07/1100765.cif $ #-------------------------------------------------------------------...
1,100,766
10.103
0.0017
23.398
0.004
10.1354
0.0017
90
null
103.741
0.003
90
null
2,327.3
0.7
499
2
499
2
null
null
null
null
7
P 1 21/n 1
-P 2yn
14
- C19 H22 B Cl N6 S2 Zn -
- C19 H22 B Cl N6 S2 Zn -
- C76 H88 B4 Cl4 N24 S8 Zn4 -
4
1
Mian Ji; Boumahdi Benkmil; Heinrich Vahrenkamp
Zinc-Thiolate Complexes of the Bis(pyrazolyl)(thioimidazolyl)hydroborate Tripods for the Modeling of Thiolate Alkylating Enzymes
Inorganic Chemistry
2,005
44
10
3518
3523
10.1021/ic0484147
0.71073
MoKα
0.0833
0.0406
null
null
0.0767
0.0903
null
null
null
null
null
1.002
null
null
has coordinates
Mian Ji; Boumahdi Benkmil; Heinrich Vahrenkamp Zinc-Thiolate Complexes of the Bis(pyrazolyl)(thioimidazolyl)hydroborate Tripods for the Modeling of Thiolate Alkylating Enzymes Inorganic Chemistry 44(10) (2005) 3518-3523
176,428
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176428 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/07/1100766.cif $ #-------------------------------------------------------------------...
1,100,767
10.103
0.0017
23.398
0.004
10.1354
0.0017
90
null
103.741
0.003
90
null
2,327.3
0.7
499
2
499
2
null
null
null
null
7
P 1 21/n 1
-P 2yn
14
- C19 H22 B Cl N6 S2 Zn -
- C19 H22 B Cl N6 S2 Zn -
- C76 H88 B4 Cl4 N24 S8 Zn4 -
4
1
Mian Ji; Boumahdi Benkmil; Heinrich Vahrenkamp
Zinc-Thiolate Complexes of the Bis(pyrazolyl)(thioimidazolyl)hydroborate Tripods for the Modeling of Thiolate Alkylating Enzymes
Inorganic Chemistry
2,005
44
10
3518
3523
10.1021/ic0484147
0.71073
MoKα
0.0833
0.0406
null
null
0.0767
0.0903
null
null
null
null
null
1.002
1,100,766
null
has coordinates
Mian Ji; Boumahdi Benkmil; Heinrich Vahrenkamp Zinc-Thiolate Complexes of the Bis(pyrazolyl)(thioimidazolyl)hydroborate Tripods for the Modeling of Thiolate Alkylating Enzymes Inorganic Chemistry 44(10) (2005) 3518-3523
176,428
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176428 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/07/1100767.cif $ #-------------------------------------------------------------------...
1,100,768
21.345
0.004
8.6672
0.0016
24.5
0.005
90
null
98.926
0.004
90
null
4,477.6
1.5
245
2
245
2
null
null
null
null
6
C 1 2/c 1
-C 2yc
15
- C19 H23 B N6 S2 Zn -
- C19 H23 B N6 S2 Zn -
- C152 H184 B8 N48 S16 Zn8 -
8
1
Mian Ji; Boumahdi Benkmil; Heinrich Vahrenkamp
Zinc-Thiolate Complexes of the Bis(pyrazolyl)(thioimidazolyl)hydroborate Tripods for the Modeling of Thiolate Alkylating Enzymes
Inorganic Chemistry
2,005
44
10
3518
3523
10.1021/ic0484147
0.71073
MoKα
0.1475
0.0473
null
null
0.0903
0.118
null
null
null
null
null
0.907
null
null
has coordinates
Mian Ji; Boumahdi Benkmil; Heinrich Vahrenkamp Zinc-Thiolate Complexes of the Bis(pyrazolyl)(thioimidazolyl)hydroborate Tripods for the Modeling of Thiolate Alkylating Enzymes Inorganic Chemistry 44(10) (2005) 3518-3523
175,230
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-01-28 14:09:35 +0200 (Thu, 28 Jan 2016) $ #$Revision: 175230 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/07/1100768.cif $ #-------------------------------------------------------------------...
1,100,769
20.688
0.004
8.5506
0.0017
25.364
0.005
90
null
100.111
0.004
90
null
4,417.1
1.5
245
2
245
2
null
null
null
null
7
C 1 2/c 1
-C 2yc
15
- C18 H20 B Cl N6 S2 Zn -
- C18 H20 B Cl N6 S2 Zn -
- C144 H160 B8 Cl8 N48 S16 Zn8 -
8
1
Mian Ji; Boumahdi Benkmil; Heinrich Vahrenkamp
Zinc-Thiolate Complexes of the Bis(pyrazolyl)(thioimidazolyl)hydroborate Tripods for the Modeling of Thiolate Alkylating Enzymes
Inorganic Chemistry
2,005
44
10
3518
3523
10.1021/ic0484147
0.71073
MoKα
0.0631
0.0351
null
null
0.07
0.0774
null
null
null
null
null
0.892
null
null
has coordinates
Mian Ji; Boumahdi Benkmil; Heinrich Vahrenkamp Zinc-Thiolate Complexes of the Bis(pyrazolyl)(thioimidazolyl)hydroborate Tripods for the Modeling of Thiolate Alkylating Enzymes Inorganic Chemistry 44(10) (2005) 3518-3523
175,230
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-01-28 14:09:35 +0200 (Thu, 28 Jan 2016) $ #$Revision: 175230 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/07/1100769.cif $ #-------------------------------------------------------------------...
1,100,770
8.798
0.0013
10.1982
0.0015
17.945
0.003
90
null
90
null
90
null
1,610.1
0.4
293
2
293
2
null
null
null
null
6
P b c a
-P 2ac 2ab
61
- C6 H8 N Ni O5 P -
- C6 H8 N Ni O5 P -
- C48 H64 N8 Ni8 O40 P8 -
8
1
Deng-Ke Cao; Yi-Zhi Li; You Song; Li-Min Zheng
Three-, Two-, and One-Dimensional Metal Phosphonates Based on [Hydroxy(4-pyridyl)methyl]phosphonate: M{(4-C5H4N)CH(OH)PO3}(H2O) (M = Ni, Cd) and Gd{(4-C5H4N)CH(OH)P(OH)O2}3.6H2O
Inorganic Chemistry
2,005
44
3599
3604
10.1021/ic0484248
0.71073
MoKα
0.1099
0.0541
null
null
0.0834
0.0958
null
null
null
null
null
0.919
null
null
has coordinates
Deng-Ke Cao; Yi-Zhi Li; You Song; Li-Min Zheng Three-, Two-, and One-Dimensional Metal Phosphonates Based on [Hydroxy(4-pyridyl)methyl]phosphonate: M{(4-C5H4N)CH(OH)PO3}(H2O) (M = Ni, Cd) and Gd{(4-C5H4N)CH(OH)P(OH)O2}3.6H2O Inorganic Chemistry 44 (2005) 3599-3604
176,729
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/07/1100770.cif $ #-------------------------------------------------------------------...
7,015,140
11.8455
0.0005
17.3967
0.0009
24.6928
0.0011
100.75
0.004
98.088
0.004
108.911
0.004
4,617.3
0.4
100
2
100
2
null
null
null
null
6
P -1
-P 1
2
- C66 H119 Cr6 F7 N2 O24 -
- C66 H119 Cr6 F7 N2 O24 -
- C132 H238 Cr12 F14 N4 O48 -
2
1
Baker, Michael L.; Bianchi, Alberto; Carretta, Stefano; Collison, David; Docherty, Rebecca J.; McLnnes, Eric J. L.; McRobbie, Andrew; Muryn, Christopher A.; Mutka, Hannu; Piligkos, Stergios; Rancan, Marzio; Santini, Paolo; Timco, Grigore A.; Tregenna-Piggott, Philip L W; Tuna, Floriana; Güdel, Hans U; Winpenny, Richard...
Varying spin state composition by the choice of capping ligand in a family of molecular chains: detailed analysis of magnetic properties of chromium(III) horseshoes.
Dalton transactions (Cambridge, England : 2003)
2,011
40
12
2725
2734
10.1039/c0dt01243b
0.71073
MoKα
0.1402
0.0982
null
null
0.254
0.2775
null
null
null
null
null
1.102
null
null
has coordinates,has disorder
Baker, Michael L.; Bianchi, Alberto; Carretta, Stefano; Collison, David; Docherty, Rebecca J.; McLnnes, Eric J. L.; McRobbie, Andrew; Muryn, Christopher A.; Mutka, Hannu; Piligkos, Stergios; Rancan, Marzio; Santini, Paolo; Timco, Grigore A.; Tregenna-Piggott, Philip L W; Tuna, Floriana; Güdel, Hans U; Winpenny, Richard...
179,855
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-25 13:38:46 +0200 (Fri, 25 Mar 2016) $ #$Revision: 179855 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/51/7015140.cif $ #-------------------------------------------------------------------...
1,100,771
23.344
0.006
5.2745
0.0014
16.571
0.004
90
null
121.576
0.004
90
null
1,738.3
0.8
293
2
293
2
null
null
null
null
6
C 1 2/c 1
-C 2yc
15
- C6 H8 Cd N O5 P -
- C6 H8 Cd N O5 P -
- C48 H64 Cd8 N8 O40 P8 -
8
1
Deng-Ke Cao; Yi-Zhi Li; You Song; Li-Min Zheng
Three-, Two-, and One-Dimensional Metal Phosphonates Based on [Hydroxy(4-pyridyl)methyl]phosphonate: M{(4-C5H4N)CH(OH)PO3}(H2O) (M = Ni, Cd) and Gd{(4-C5H4N)CH(OH)P(OH)O2}3.6H2O
Inorganic Chemistry
2,005
44
3599
3604
10.1021/ic0484248
0.71073
MoKα
0.0953
0.0715
null
null
0.112
0.1192
null
null
null
null
null
1.218
null
null
has coordinates
Deng-Ke Cao; Yi-Zhi Li; You Song; Li-Min Zheng Three-, Two-, and One-Dimensional Metal Phosphonates Based on [Hydroxy(4-pyridyl)methyl]phosphonate: M{(4-C5H4N)CH(OH)PO3}(H2O) (M = Ni, Cd) and Gd{(4-C5H4N)CH(OH)P(OH)O2}3.6H2O Inorganic Chemistry 44 (2005) 3599-3604
176,729
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/07/1100771.cif $ #-------------------------------------------------------------------...
1,100,772
22.2714
0.0016
22.2714
0.0016
9.8838
0.0011
90
null
90
null
120
null
4,245.7
0.6
293
2
293
2
null
null
null
null
6
R -3 :H
-R 3
148
- C18 H33 Gd N3 O18 P3 -
- C18 H33 Gd N3 O18 P3 -
- C108 H198 Gd6 N18 O108 P18 -
6
0.333333
Deng-Ke Cao; Yi-Zhi Li; You Song; Li-Min Zheng
Three-, Two-, and One-Dimensional Metal Phosphonates Based on [Hydroxy(4-pyridyl)methyl]phosphonate: M{(4-C5H4N)CH(OH)PO3}(H2O) (M = Ni, Cd) and Gd{(4-C5H4N)CH(OH)P(OH)O2}3.6H2O
Inorganic Chemistry
2,005
44
3599
3604
10.1021/ic0484248
0.71073
MoKα
0.0627
0.0516
null
null
0.1502
0.1532
null
null
null
null
null
0.995
null
null
has coordinates
Deng-Ke Cao; Yi-Zhi Li; You Song; Li-Min Zheng Three-, Two-, and One-Dimensional Metal Phosphonates Based on [Hydroxy(4-pyridyl)methyl]phosphonate: M{(4-C5H4N)CH(OH)PO3}(H2O) (M = Ni, Cd) and Gd{(4-C5H4N)CH(OH)P(OH)O2}3.6H2O Inorganic Chemistry 44 (2005) 3599-3604
176,729
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/07/1100772.cif $ #-------------------------------------------------------------------...
1,100,773
14.9131
0.0012
12.6146
0.001
24.0113
0.0019
90
null
99.792
0.002
90
null
4,451.3
0.6
100
2
100
2
null
null
null
null
5
P 1 21/c 1
-P 2ybc
14
- C53 H27 Cr F15 N5 -
- C53 H27 Cr F15 N5 -
- C212 H108 Cr4 F60 N20 -
4
1
Nicola Y. Edwards; Rebecca A. Eikey; Megan I. Loring; Mahdi M. Abu-Omar
High-Valent Imido Complexes of Manganese and Chromium Corroles
Inorganic Chemistry
2,005
44
3700
3708
10.1021/ic0484506
0.71073
MoKα
0.0997
0.0437
null
null
0.091
0.116
null
null
null
null
null
1.022
null
null
has coordinates
Nicola Y. Edwards; Rebecca A. Eikey; Megan I. Loring; Mahdi M. Abu-Omar High-Valent Imido Complexes of Manganese and Chromium Corroles Inorganic Chemistry 44 (2005) 3700-3708
176,729
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/07/1100773.cif $ #-------------------------------------------------------------------...
1,100,774
14.243
0.0018
14.243
0.0018
28.419
0.005
90
null
90
null
90
null
5,765.2
1.4
293
2
293
2
null
null
null
null
4
I -4 2 d
I -4 2bw
122
- C14 H10 N8 Zn -
- C14 H10 N8 Zn -
- C224 H160 N128 Zn16 -
16
1
Qiong Ye; Yong-Hua Li; Yu-Mei Song; Xue-Feng Huang; Ren-Gen Xiong; Ziling Xue
A Second-Order Nonlinear Optical Material Prepared through In Situ Hydrothermal Ligand Synthesis
Inorganic Chemistry
2,005
44
3618
3625
10.1021/ic0500098
0.71073
MoKα
0.045
0.0317
null
null
0.0894
0.0929
null
null
null
null
null
1.033
null
null
has coordinates
Qiong Ye; Yong-Hua Li; Yu-Mei Song; Xue-Feng Huang; Ren-Gen Xiong; Ziling Xue A Second-Order Nonlinear Optical Material Prepared through In Situ Hydrothermal Ligand Synthesis Inorganic Chemistry 44 (2005) 3618-3625
176,729
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/07/1100774.cif $ #-------------------------------------------------------------------...
1,100,775
10.485
0.0016
10.485
0.0016
13.088
0.003
90
null
90
null
90
null
1,438.8
0.5
293
2
293
2
null
null
null
null
5
I -4 2 d
I -4 2bw
122
- C12 H10 Cl0 N12 Zn -
- C12 H10 N12 Zn -
- C48 H40 N48 Zn4 -
4
0.25
Qiong Ye; Yong-Hua Li; Yu-Mei Song; Xue-Feng Huang; Ren-Gen Xiong; Ziling Xue
A Second-Order Nonlinear Optical Material Prepared through In Situ Hydrothermal Ligand Synthesis
Inorganic Chemistry
2,005
44
3618
3625
10.1021/ic0500098
0.71073
MoKα
0.0502
0.0449
null
null
0.1179
0.1196
null
null
null
null
null
1.084
null
null
has coordinates
Qiong Ye; Yong-Hua Li; Yu-Mei Song; Xue-Feng Huang; Ren-Gen Xiong; Ziling Xue A Second-Order Nonlinear Optical Material Prepared through In Situ Hydrothermal Ligand Synthesis Inorganic Chemistry 44 (2005) 3618-3625
176,729
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/07/1100775.cif $ #-------------------------------------------------------------------...
7,015,139
12.388
0.005
13.303
0.005
15.584
0.006
105.451
0.006
109.87
0.006
98.761
0.006
2,242.9
1.5
293
2
293
2
null
null
null
null
5
P -1
-P 1
2
- C38.5 H63 N4 Si4 Y -
- C38.5 H59 N4 Si4 Y -
- C77 H118 N8 Si8 Y2 -
2
1
Luo, Yunjie; Fan, Shimin; Yang, Jianping; Fang, Jianghua; Xu, Ping
Rare earth metal bis(amide) complexes bearing amidinate ancillary ligands: synthesis, characterization, and performance as catalyst precursors for cis-1,4 selective polymerization of isoprene.
Dalton transactions (Cambridge, England : 2003)
2,011
40
12
3053
3059
10.1039/c0dt01241f
0.7107
MoKα
0.116
0.0903
null
null
0.2126
0.2297
null
null
null
null
null
1.134
null
null
has coordinates
Luo, Yunjie; Fan, Shimin; Yang, Jianping; Fang, Jianghua; Xu, Ping Rare earth metal bis(amide) complexes bearing amidinate ancillary ligands: synthesis, characterization, and performance as catalyst precursors for cis-1,4 selective polymerization of isoprene. Dalton transactions (Cambridge, England : 2003) 40(12) (2011...
176,453
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $ #$Revision: 176453 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/51/7015139.cif $ #-------------------------------------------------------------------...
1,100,776
14.0469
0.0008
23.9451
0.0013
14.2106
0.0008
90
null
110.88
0.001
90
null
4,465.9
0.4
90
2
90
2
null
null
null
null
5
P 1 21/c 1
-P 2ybc
14
J*N(Me)Tl
- C25.75 H30 N O0.25 Tl -
- C25.75 H30 N O0.25 Tl -
- C206 H240 N8 O2 Tl8 -
8
2
Robert J. Wright; Marcin Brynda; Philip P. Power
A Monomeric Thallium(I) Amide in the Solid State: Synthesis and Structure of TlN(Me)Ar^Mes~2~^ (Ar^Mes~2~^= C~6~H~3~-2,6-Mes~2~)
Inorganic Chemistry
2,005
44
3368
3370
10.1021/ic0500255
0.71073
MoKα
0.0566
0.0301
null
null
0.0663
0.0728
null
null
null
null
null
1.035
null
null
has coordinates
Robert J. Wright; Marcin Brynda; Philip P. Power A Monomeric Thallium(I) Amide in the Solid State: Synthesis and Structure of TlN(Me)Ar^Mes~2~^ (Ar^Mes~2~^= C~6~H~3~-2,6-Mes~2~) Inorganic Chemistry 44 (2005) 3368-3370
192,294
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-02-19 20:20:29 +0200 (Sun, 19 Feb 2017) $ #$Revision: 192294 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/07/1100776.cif $ #-------------------------------------------------------------------...
1,100,777
8.648
0.003
10.323
0.003
15.103
0.005
90
null
90.879
0.006
90
null
1,348.1
0.8
295
2
295
2
null
null
null
null
4
P 1 2/n 1
-P 2yac
13
- Na2 O8 S2 Zn -
- Na2 O8 S2 Zn -
- Na16 O64 S16 Zn8 -
8
2
Rolf W. Berg; Niels Thorup
The Reaction between ZnO and Molten Na2S2O7 or K2S2O7 Forming Na2Zn(SO4)2 or K2Zn(SO4)2, Studied by Raman Spectroscopy and X-ray Diffraction
Inorganic Chemistry
2,005
44
3485
3493
10.1021/ic0500513
0.71073
MoKα
0.0758
0.0369
null
null
0.081
0.0945
null
null
null
null
null
0.999
null
null
has coordinates
Rolf W. Berg; Niels Thorup The Reaction between ZnO and Molten Na2S2O7 or K2S2O7 Forming Na2Zn(SO4)2 or K2Zn(SO4)2, Studied by Raman Spectroscopy and X-ray Diffraction Inorganic Chemistry 44 (2005) 3485-3493
176,729
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/07/1100777.cif $ #-------------------------------------------------------------------...
1,100,778
5.3582
0.0011
8.7653
0.0018
16.152
0.003
90
null
91.78
0.03
90
null
758.2
0.3
293
2
293
2
null
null
null
null
4
P 1 21/n 1
-P 2yn
14
- K2 O8 S2 Zn -
- K2 O8 S2 Zn -
- K8 O32 S8 Zn4 -
4
1
Rolf W. Berg; Niels Thorup
The Reaction between ZnO and Molten Na2S2O7 or K2S2O7 Forming Na2Zn(SO4)2 or K2Zn(SO4)2, Studied by Raman Spectroscopy and X-ray Diffraction
Inorganic Chemistry
2,005
44
3485
3493
10.1021/ic0500513
0.71073
MoKα
0.0526
0.0351
null
null
0.0694
0.0758
null
null
null
null
null
1.039
null
null
has coordinates
Rolf W. Berg; Niels Thorup The Reaction between ZnO and Molten Na2S2O7 or K2S2O7 Forming Na2Zn(SO4)2 or K2Zn(SO4)2, Studied by Raman Spectroscopy and X-ray Diffraction Inorganic Chemistry 44 (2005) 3485-3493
176,729
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/07/1100778.cif $ #-------------------------------------------------------------------...
1,100,779
22.69
0.002
16.6746
0.0017
18.1507
0.0019
90
null
93.39
0.002
90
null
6,855.2
1.2
293
2
293
2
null
null
null
null
7
C 1 2/c 1
-C 2yc
15
- C72 H104 N12 O72 P12 S2 Zn14 -
- C72 H104 N12 O72 P12 S2 Zn14 -
- C144 H208 N24 O144 P24 S4 Zn28 -
2
0.25
Deng-Ke Cao; Yi-Zhi Li; Li-Min Zheng
[Zn7{(2-C5H4N)CH(OH)PO3}6(H2O)6]SO4.4H2O: A Zinc Phosphonate Cluster with a Drum-like Cage Structure
Inorganic Chemistry
2,005
44
2984
2985
10.1021/ic0500659
0.71073
MoKα
0.085
0.057
null
null
0.1159
0.1231
null
null
null
null
null
1.104
null
null
has coordinates
Deng-Ke Cao; Yi-Zhi Li; Li-Min Zheng [Zn7{(2-C5H4N)CH(OH)PO3}6(H2O)6]SO4.4H2O: A Zinc Phosphonate Cluster with a Drum-like Cage Structure Inorganic Chemistry 44 (2005) 2984-2985
176,729
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/07/1100779.cif $ #-------------------------------------------------------------------...
1,100,780
11.824
0.002
10.358
0.002
21.483
0.004
90
null
108.296
0.004
90
null
2,498.1
0.8
153.1
null
null
null
null
null
null
null
3
P 1 21/c 1
-P 2ybc
14
- C56 H78 N4 -
- C56 H78 N4 -
- C112 H156 N8 -
2
0.5
Chizu Shimokawa; Shinobu Itoh
The First β-Diketiminate-Ag(I) Complexes. Macrocyclic Dinuclear and Tetranuclear Ag(I)-Complexes and Linear Coordination Polymer Ag(I)-Complex
Inorganic Chemistry
2,005
44
3010
3012
10.1021/ic0501014
0.7107
MoKα
null
0.053
null
null
null
0.054
null
null
null
null
null
1.07
null
null
has coordinates
Chizu Shimokawa; Shinobu Itoh The First β-Diketiminate-Ag(I) Complexes. Macrocyclic Dinuclear and Tetranuclear Ag(I)-Complexes and Linear Coordination Polymer Ag(I)-Complex Inorganic Chemistry 44 (2005) 3010-3012
301,773
2025-08-18
12:42:42
#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:40:47 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301773 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/07/1100780.cif $ #-------------------------------------------------------------------...
1,100,781
11.16
0.008
12.854
0.009
21.44
0.02
82.84
0.03
83.35
0.03
85.24
0.03
3,024
4
153.1
null
null
null
null
null
null
null
5
P -1
-P 1
2
- C56 H78 Ag2 Cl4 N4 -
- C56 H78 Ag2 Cl4 N4 -
- C112 H156 Ag4 Cl8 N8 -
2
1
Chizu Shimokawa; Shinobu Itoh
The First β-Diketiminate-Ag(I) Complexes. Macrocyclic Dinuclear and Tetranuclear Ag(I)-Complexes and Linear Coordination Polymer Ag(I)-Complex
Inorganic Chemistry
2,005
44
3010
3012
10.1021/ic0501014
0.7107
MoKα
null
0.064
null
null
null
0.065
null
null
null
null
null
1.048
null
null
has coordinates
Chizu Shimokawa; Shinobu Itoh The First β-Diketiminate-Ag(I) Complexes. Macrocyclic Dinuclear and Tetranuclear Ag(I)-Complexes and Linear Coordination Polymer Ag(I)-Complex Inorganic Chemistry 44 (2005) 3010-3012
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/1/10/07/1100781.cif $ #-------------------------------------------------------------------...
1,100,782
14.866
0.004
28.12
0.007
17.752
0.005
90
null
118.873
0.003
90
null
6,498
3
153.1
null
null
null
null
null
null
null
5
P 1 21/m 1
-P 2yb
11
- C113 H146 Ag4 Cl2 N12 -
- C113 H146 Ag4 Cl2 N12 -
- C226 H292 Ag8 Cl4 N24 -
2
0.5
Chizu Shimokawa; Shinobu Itoh
The First β-Diketiminate-Ag(I) Complexes. Macrocyclic Dinuclear and Tetranuclear Ag(I)-Complexes and Linear Coordination Polymer Ag(I)-Complex
Inorganic Chemistry
2,005
44
3010
3012
10.1021/ic0501014
0.7107
MoKα
null
0.05
null
null
null
0.052
null
null
null
null
null
1.065
null
null
has coordinates
Chizu Shimokawa; Shinobu Itoh The First β-Diketiminate-Ag(I) Complexes. Macrocyclic Dinuclear and Tetranuclear Ag(I)-Complexes and Linear Coordination Polymer Ag(I)-Complex Inorganic Chemistry 44 (2005) 3010-3012
301,773
2025-08-18
12:42:42
#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:40:47 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301773 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/07/1100782.cif $ #-------------------------------------------------------------------...
1,100,783
12.432
0.002
16.167
0.002
15.208
0.003
90
null
105.025
0.004
90
null
2,952.1
0.8
153.1
null
null
null
null
null
null
null
6
P 1 21 1
P 2yb
4
- C28 H38 Ag Cl2 N3 O2 -
- C28 H38 Ag Cl2 N3 O2 -
- C112 H152 Ag4 Cl8 N12 O8 -
4
2
Chizu Shimokawa; Shinobu Itoh
The First β-Diketiminate-Ag(I) Complexes. Macrocyclic Dinuclear and Tetranuclear Ag(I)-Complexes and Linear Coordination Polymer Ag(I)-Complex
Inorganic Chemistry
2,005
44
3010
3012
10.1021/ic0501014
0.7107
MoKα
null
0.047
null
null
null
0.05
null
null
null
null
null
1.069
null
null
has coordinates
Chizu Shimokawa; Shinobu Itoh The First β-Diketiminate-Ag(I) Complexes. Macrocyclic Dinuclear and Tetranuclear Ag(I)-Complexes and Linear Coordination Polymer Ag(I)-Complex Inorganic Chemistry 44 (2005) 3010-3012
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/1/10/07/1100783.cif $ #-------------------------------------------------------------------...
1,100,784
10.9754
0.0008
11.4045
0.0008
12.9314
0.0009
109.108
0.001
98.409
0.001
102.747
0.001
1,449.22
0.18
150
2
150
2
null
null
null
null
8
P -1
-P 1
2
- C54 H58 Ag2 B2 F8 N12 O6 P2 -
- C54 H58 Ag2 B2 F8 N12 O6 P2 -
- C54 H58 Ag2 B2 F8 N12 O6 P2 -
1
0.5
Reger, Daniel L.; Semeniuc, Radu F.; Smith, Mark D.
Supramolecular networks of silver(i) and iron(ii) complexes of the third generation tris(pyrazolyl)methane ligand Ph2(O)POCH2C(pz)3 (pz = pyrazolyl ring)
Dalton Transactions
2,008
null
17
2253
2260
10.1039/B719023A
0.71073
MoKα
0.0455
0.0404
null
null
0.0993
0.1027
null
null
null
null
null
1.047
null
null
has coordinates
Reger, Daniel L.; Semeniuc, Radu F.; Smith, Mark D. Supramolecular networks of silver(i) and iron(ii) complexes of the third generation tris(pyrazolyl)methane ligand Ph2(O)POCH2C(pz)3 (pz = pyrazolyl ring) Dalton Transactions (issue 17) (2008) 2253-2260
176,729
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/07/1100784.cif $ #-------------------------------------------------------------------...
1,100,785
11.699
0.004
12.52
0.005
13.149
0.005
90
null
94.534
0.006
90
null
1,920
1.2
173
2
173
2
null
null
null
null
7
P 1 21/c 1
-P 2ybc
14
- C20 H15 B F4 O2 Ru S -
- C20 H15 B F4 O2 Ru S -
- C80 H60 B4 F16 O8 Ru4 S4 -
4
1
Vecchi, Paul A.; Ellern, Arkady; Angelici, Robert J.
Steric Effects in the Binding of Hindered Dibenzothiophene Ligands in [Cp'Ru(CO)~2~(η^1^(S)-DBTh)]^+^ Complexes
Organometallics
2,005
24
9
2168
2176
10.1021/om048973l
0.71073
MoKα
0.0744
0.0677
null
null
0.2006
0.2083
null
null
null
null
null
1.1
4,060,277
null
has coordinates
Vecchi, Paul A.; Ellern, Arkady; Angelici, Robert J. Steric Effects in the Binding of Hindered Dibenzothiophene Ligands in [Cp'Ru(CO)~2~(η^1^(S)-DBTh)]^+^ Complexes Organometallics 24(9) (2005) 2168-2176
180,559
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-28 07:01:53 +0300 (Mon, 28 Mar 2016) $ #$Revision: 180559 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/07/1100785.cif $ #-------------------------------------------------------------------...
1,100,786
9.3637
0.0008
10.4141
0.0009
11.7381
0.0009
73.448
0.001
69.504
0.001
88.382
0.002
1,024.48
0.15
293
2
293
2
null
null
null
null
7
P -1
-P 1
2
- C21 H17 B F4 O2 Ru S -
- C21 H17 B F4 O2 Ru S -
- C42 H34 B2 F8 O4 Ru2 S2 -
2
1
Vecchi, Paul A.; Ellern, Arkady; Angelici, Robert J.
Steric Effects in the Binding of Hindered Dibenzothiophene Ligands in [Cp'Ru(CO)~2~(η^1^(S)-DBTh)]^+^ Complexes
Organometallics
2,005
24
9
2168
2176
10.1021/om048973l
0.71073
MoKα
0.038
0.0311
null
null
0.0775
0.0803
null
null
null
null
null
1.018
4,060,278
null
has coordinates
Vecchi, Paul A.; Ellern, Arkady; Angelici, Robert J. Steric Effects in the Binding of Hindered Dibenzothiophene Ligands in [Cp'Ru(CO)~2~(η^1^(S)-DBTh)]^+^ Complexes Organometallics 24(9) (2005) 2168-2176
180,559
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-28 07:01:53 +0300 (Mon, 28 Mar 2016) $ #$Revision: 180559 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/07/1100786.cif $ #-------------------------------------------------------------------...
1,100,787
9.394
0.004
11.003
0.005
19.963
0.009
90
null
98.66
0.008
90
null
2,039.7
1.6
173
2
173
2
null
null
null
null
7
P 1 21/n 1
-P 2yn
14
- C21 H17 B F4 O2 Ru S -
- C21 H17 B F4 O2 Ru S -
- C84 H68 B4 F16 O8 Ru4 S4 -
4
1
Vecchi, Paul A.; Ellern, Arkady; Angelici, Robert J.
Steric Effects in the Binding of Hindered Dibenzothiophene Ligands in [Cp'Ru(CO)~2~(η^1^(S)-DBTh)]^+^ Complexes
Organometallics
2,005
24
9
2168
2176
10.1021/om048973l
0.71073
MoKα
0.0833
0.0787
null
null
0.1925
0.1945
null
null
null
null
null
1.222
4,060,279
null
has coordinates
Vecchi, Paul A.; Ellern, Arkady; Angelici, Robert J. Steric Effects in the Binding of Hindered Dibenzothiophene Ligands in [Cp'Ru(CO)~2~(η^1^(S)-DBTh)]^+^ Complexes Organometallics 24(9) (2005) 2168-2176
180,559
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-28 07:01:53 +0300 (Mon, 28 Mar 2016) $ #$Revision: 180559 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/07/1100787.cif $ #-------------------------------------------------------------------...
1,100,788
21.365
0.006
15.428
0.005
6.697
0.005
90
null
90
null
90
null
2,207
1
294.1
null
null
null
null
null
null
null
4
P n m a
-P 2ac 2n
62
- C22 H30 Ir2 N4 -
- C22 H30 Ir2 N4 -
- C88 H120 Ir8 N16 -
4
0.5
Hidenobu Kajitani; Yoshiaki Tanabe; Shigeki Kuwata; Masakazu Iwasaki; Youichi Ishii
Cyanamido-Bridged Diiridium Complex: a Reactive Building Block for Polynuclear Cyanamido Complexes
Organometallics
2,005
24
10
2251
2254
10.1021/om048978i
0.7107
MoKα
null
0.052
null
null
null
0.054
null
null
null
null
null
1.001
null
null
has coordinates
Hidenobu Kajitani; Yoshiaki Tanabe; Shigeki Kuwata; Masakazu Iwasaki; Youichi Ishii Cyanamido-Bridged Diiridium Complex: a Reactive Building Block for Polynuclear Cyanamido Complexes Organometallics 24(10) (2005) 2251-2254
277,831
2022-09-14
14:31:32
#------------------------------------------------------------------------------ #$Date: 2022-09-14 17:31:13 +0300 (Wed, 14 Sep 2022) $ #$Revision: 277831 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/07/1100788.cif $ #-------------------------------------------------------------------...
1,100,789
8.888
0.005
11.704
0.004
12.696
0.004
88.75
0.03
86.05
0.04
76.3
0.04
1,280.2
0.9
294.1
null
null
null
null
null
null
null
5
P -1
-P 1
2
- C24 H30 Ir2 N4 O2 -
- C24 H30 Ir2 N4 O2 -
- C48 H60 Ir4 N8 O4 -
2
1
Hidenobu Kajitani; Yoshiaki Tanabe; Shigeki Kuwata; Masakazu Iwasaki; Youichi Ishii
Cyanamido-Bridged Diiridium Complex: a Reactive Building Block for Polynuclear Cyanamido Complexes
Organometallics
2,005
24
10
2251
2254
10.1021/om048978i
0.7107
MoKα
null
0.026
null
null
null
0.026
null
null
null
null
null
1.006
null
null
has coordinates
Hidenobu Kajitani; Yoshiaki Tanabe; Shigeki Kuwata; Masakazu Iwasaki; Youichi Ishii Cyanamido-Bridged Diiridium Complex: a Reactive Building Block for Polynuclear Cyanamido Complexes Organometallics 24(10) (2005) 2251-2254
277,831
2022-09-14
14:31:32
#------------------------------------------------------------------------------ #$Date: 2022-09-14 17:31:13 +0300 (Wed, 14 Sep 2022) $ #$Revision: 277831 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/07/1100789.cif $ #-------------------------------------------------------------------...
1,100,790
19.199
0.005
13.714
0.005
9.781
0.003
90
null
90
null
90
null
2,575
1
108.1
null
null
null
null
null
null
null
5
P n m a
-P 2ac 2n
62
- C25 H39 Ir2 N4 P -
- C25 H39 Ir2 N4 P -
- C100 H156 Ir8 N16 P4 -
4
0.5
Hidenobu Kajitani; Yoshiaki Tanabe; Shigeki Kuwata; Masakazu Iwasaki; Youichi Ishii
Cyanamido-Bridged Diiridium Complex: a Reactive Building Block for Polynuclear Cyanamido Complexes
Organometallics
2,005
24
10
2251
2254
10.1021/om048978i
0.7107
MoKα
null
0.058
null
null
null
0.068
null
null
null
null
null
1.006
null
null
has coordinates
Hidenobu Kajitani; Yoshiaki Tanabe; Shigeki Kuwata; Masakazu Iwasaki; Youichi Ishii Cyanamido-Bridged Diiridium Complex: a Reactive Building Block for Polynuclear Cyanamido Complexes Organometallics 24(10) (2005) 2251-2254
277,831
2022-09-14
14:31:32
#------------------------------------------------------------------------------ #$Date: 2022-09-14 17:31:13 +0300 (Wed, 14 Sep 2022) $ #$Revision: 277831 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/07/1100790.cif $ #-------------------------------------------------------------------...
1,100,791
12.084
0.004
12.105
0.004
19.525
0.007
99.37
0.01
91.82
0.01
118.88
0.01
2,447
1
294.1
null
null
null
null
null
null
null
5
P -1
-P 1
2
- C56 H61 Ir2 N4 P2 -
- C56 H61 Ir2 N4 P2 -
- C112 H122 Ir4 N8 P4 -
2
1
Hidenobu Kajitani; Yoshiaki Tanabe; Shigeki Kuwata; Masakazu Iwasaki; Youichi Ishii
Cyanamido-Bridged Diiridium Complex: a Reactive Building Block for Polynuclear Cyanamido Complexes
Organometallics
2,005
24
10
2251
2254
10.1021/om048978i
0.7107
MoKα
null
0.031
null
null
null
0.036
null
null
null
null
null
1.005
null
null
has coordinates
Hidenobu Kajitani; Yoshiaki Tanabe; Shigeki Kuwata; Masakazu Iwasaki; Youichi Ishii Cyanamido-Bridged Diiridium Complex: a Reactive Building Block for Polynuclear Cyanamido Complexes Organometallics 24(10) (2005) 2251-2254
277,831
2022-09-14
14:31:32
#------------------------------------------------------------------------------ #$Date: 2022-09-14 17:31:13 +0300 (Wed, 14 Sep 2022) $ #$Revision: 277831 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/07/1100791.cif $ #-------------------------------------------------------------------...
1,100,792
12.68
0.002
12.734
0.002
32.297
0.004
90
null
90
null
90
null
5,214
1
293.1
null
null
null
null
null
null
null
7
P c c n
-P 2ab 2ac
56
- C55 H64 B Cl2 Ir2 N4 Rh -
- C55 H64 B Cl2 Ir2 N4 Rh -
- C220 H256 B4 Cl8 Ir8 N16 Rh4 -
4
0.5
Hidenobu Kajitani; Yoshiaki Tanabe; Shigeki Kuwata; Masakazu Iwasaki; Youichi Ishii
Cyanamido-Bridged Diiridium Complex: a Reactive Building Block for Polynuclear Cyanamido Complexes
Organometallics
2,005
24
10
2251
2254
10.1021/om048978i
0.7107
MoKα
null
0.051
null
null
null
0.052
null
null
null
null
null
1.007
null
null
has coordinates
Hidenobu Kajitani; Yoshiaki Tanabe; Shigeki Kuwata; Masakazu Iwasaki; Youichi Ishii Cyanamido-Bridged Diiridium Complex: a Reactive Building Block for Polynuclear Cyanamido Complexes Organometallics 24(10) (2005) 2251-2254
277,831
2022-09-14
14:31:32
#------------------------------------------------------------------------------ #$Date: 2022-09-14 17:31:13 +0300 (Wed, 14 Sep 2022) $ #$Revision: 277831 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/07/1100792.cif $ #-------------------------------------------------------------------...
1,100,793
12.574
0.001
16.472
0.001
18.363
0.002
90
null
92.06
0.01
90
null
3,800.9
0.6
228
2
228
2
null
null
null
null
6
P 1 21/c 1
-P 2ybc
14
- C22 H60 B8 Fe2 N2 Si4 -
- C22 H60 B8 Fe2 N2 Si4 -
- C88 H240 B32 Fe8 N8 Si16 -
4
1
Tomlinson, Susan; Zheng, Chong; Hosmane, Narayan S.; Yang, Jimin; Wang, Ying; Zhang, Hongming; Gray, Thomas G.; Demissie, Temesgen; Maguire, John A.; Baumann, Frank; Klein, Axel; Sarkar, Biprajit; Kaim, Wolfgang; Lipscomb, William N.
Chemistry of C-Trimethylsilyl-Substituted Heterocarboranes. 31. New Insights into Reaction Pathways of Carborane Ligand Systems: Synthetic, Structural, Spectroscopic, and Electrochemical Studies on Sandwich and Half-Sandwich Metallacarboranes of Iron, Cobalt, and Nickel
Organometallics
2,005
24
9
2177
2187
10.1021/om048982u
0.71073
MoKα
0.051
0.037
null
null
0.084
0.09
null
null
null
null
null
1.075
4,060,287
null
has coordinates
Tomlinson, Susan; Zheng, Chong; Hosmane, Narayan S.; Yang, Jimin; Wang, Ying; Zhang, Hongming; Gray, Thomas G.; Demissie, Temesgen; Maguire, John A.; Baumann, Frank; Klein, Axel; Sarkar, Biprajit; Kaim, Wolfgang; Lipscomb, William N. Chemistry of C-Trimethylsilyl-Substituted Heterocarboranes. 31. New Insights into Reac...
176,729
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/07/1100793.cif $ #-------------------------------------------------------------------...
1,100,794
10.932
0.002
12.939
0.003
22.815
0.005
90
null
90
null
90
null
3,227.2
1.1
220
2
220
2
null
null
null
null
5
P 21 21 21
P 2ac 2ab
19
- C16 H44 B8 Fe Si4 -
- C16 H44 B8 Fe Si4 -
- C64 H176 B32 Fe4 Si16 -
4
1
Tomlinson, Susan; Zheng, Chong; Hosmane, Narayan S.; Yang, Jimin; Wang, Ying; Zhang, Hongming; Gray, Thomas G.; Demissie, Temesgen; Maguire, John A.; Baumann, Frank; Klein, Axel; Sarkar, Biprajit; Kaim, Wolfgang; Lipscomb, William N.
Chemistry of C-Trimethylsilyl-Substituted Heterocarboranes. 31. New Insights into Reaction Pathways of Carborane Ligand Systems: Synthetic, Structural, Spectroscopic, and Electrochemical Studies on Sandwich and Half-Sandwich Metallacarboranes of Iron, Cobalt, and Nickel
Organometallics
2,005
24
9
2177
2187
10.1021/om048982u
0.71073
MoKα
0.222
0.097
null
null
0.186
0.246
null
null
null
null
null
1.023
4,060,288
null
has coordinates
Tomlinson, Susan; Zheng, Chong; Hosmane, Narayan S.; Yang, Jimin; Wang, Ying; Zhang, Hongming; Gray, Thomas G.; Demissie, Temesgen; Maguire, John A.; Baumann, Frank; Klein, Axel; Sarkar, Biprajit; Kaim, Wolfgang; Lipscomb, William N. Chemistry of C-Trimethylsilyl-Substituted Heterocarboranes. 31. New Insights into Reac...
176,729
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/07/1100794.cif $ #-------------------------------------------------------------------...
1,100,795
11.562
0.002
15.644
0.004
17.925
0.004
89.85
0.02
76.21
0.02
86.52
0.02
3,142.7
1.2
230
2
230
2
null
null
null
null
7
P -1
-P 1
2
- C37 H95 B8 Cl5 Co4 N6 Si4 -
- C37 H95 B8 Cl5 Co4 N6 Si4 -
- C74 H190 B16 Cl10 Co8 N12 Si8 -
2
1
Tomlinson, Susan; Zheng, Chong; Hosmane, Narayan S.; Yang, Jimin; Wang, Ying; Zhang, Hongming; Gray, Thomas G.; Demissie, Temesgen; Maguire, John A.; Baumann, Frank; Klein, Axel; Sarkar, Biprajit; Kaim, Wolfgang; Lipscomb, William N.
Chemistry of C-Trimethylsilyl-Substituted Heterocarboranes. 31. New Insights into Reaction Pathways of Carborane Ligand Systems: Synthetic, Structural, Spectroscopic, and Electrochemical Studies on Sandwich and Half-Sandwich Metallacarboranes of Iron, Cobalt, and Nickel
Organometallics
2,005
24
9
2177
2187
10.1021/om048982u
0.71073
MoKα
0.038
0.03
null
null
0.071
0.076
null
null
null
null
null
1.027
4,060,289
null
has coordinates
Tomlinson, Susan; Zheng, Chong; Hosmane, Narayan S.; Yang, Jimin; Wang, Ying; Zhang, Hongming; Gray, Thomas G.; Demissie, Temesgen; Maguire, John A.; Baumann, Frank; Klein, Axel; Sarkar, Biprajit; Kaim, Wolfgang; Lipscomb, William N. Chemistry of C-Trimethylsilyl-Substituted Heterocarboranes. 31. New Insights into Reac...
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/1/10/07/1100795.cif $ #-------------------------------------------------------------------...
1,100,796
8.329
0.002
19.648
0.006
14.57
0.004
90
null
94.38
0.02
90
null
2,377.4
1.1
230
2
230
2
null
null
null
null
6
P 1 21/n 1
-P 2yn
14
- C14 H38 B4 Co N2 Si2 -
- C14 H38 B4 Co N2 Si2 -
- C56 H152 B16 Co4 N8 Si8 -
4
1
Tomlinson, Susan; Zheng, Chong; Hosmane, Narayan S.; Yang, Jimin; Wang, Ying; Zhang, Hongming; Gray, Thomas G.; Demissie, Temesgen; Maguire, John A.; Baumann, Frank; Klein, Axel; Sarkar, Biprajit; Kaim, Wolfgang; Lipscomb, William N.
Chemistry of C-Trimethylsilyl-Substituted Heterocarboranes. 31. New Insights into Reaction Pathways of Carborane Ligand Systems: Synthetic, Structural, Spectroscopic, and Electrochemical Studies on Sandwich and Half-Sandwich Metallacarboranes of Iron, Cobalt, and Nickel
Organometallics
2,005
24
9
2177
2187
10.1021/om048982u
0.71073
MoKα
0.065
0.041
null
null
0.089
0.101
null
null
null
null
null
1.038
4,060,290
null
has coordinates
Tomlinson, Susan; Zheng, Chong; Hosmane, Narayan S.; Yang, Jimin; Wang, Ying; Zhang, Hongming; Gray, Thomas G.; Demissie, Temesgen; Maguire, John A.; Baumann, Frank; Klein, Axel; Sarkar, Biprajit; Kaim, Wolfgang; Lipscomb, William N. Chemistry of C-Trimethylsilyl-Substituted Heterocarboranes. 31. New Insights into Reac...
176,729
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/07/1100796.cif $ #-------------------------------------------------------------------...
1,100,797
17.788
0.005
10.13
0.002
21.049
0.005
90
null
112.33
0.02
90
null
3,508.4
1.5
230
2
230
2
null
null
null
null
6
P 1 21/c 1
-P 2ybc
14
- C21 H55 B8 N2 Ni Si4 -
- C21 H55 B8 N2 Ni Si4 -
- C84 H220 B32 N8 Ni4 Si16 -
4
1
Tomlinson, Susan; Zheng, Chong; Hosmane, Narayan S.; Yang, Jimin; Wang, Ying; Zhang, Hongming; Gray, Thomas G.; Demissie, Temesgen; Maguire, John A.; Baumann, Frank; Klein, Axel; Sarkar, Biprajit; Kaim, Wolfgang; Lipscomb, William N.
Chemistry of C-Trimethylsilyl-Substituted Heterocarboranes. 31. New Insights into Reaction Pathways of Carborane Ligand Systems: Synthetic, Structural, Spectroscopic, and Electrochemical Studies on Sandwich and Half-Sandwich Metallacarboranes of Iron, Cobalt, and Nickel
Organometallics
2,005
24
9
2177
2187
10.1021/om048982u
0.71073
MoKα
0.051
0.034
null
null
0.08
0.089
null
null
null
null
null
1.034
4,060,291
null
has coordinates
Tomlinson, Susan; Zheng, Chong; Hosmane, Narayan S.; Yang, Jimin; Wang, Ying; Zhang, Hongming; Gray, Thomas G.; Demissie, Temesgen; Maguire, John A.; Baumann, Frank; Klein, Axel; Sarkar, Biprajit; Kaim, Wolfgang; Lipscomb, William N. Chemistry of C-Trimethylsilyl-Substituted Heterocarboranes. 31. New Insights into Reac...
176,729
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/07/1100797.cif $ #-------------------------------------------------------------------...
1,100,798
11.3691
0.0015
13.9028
0.0009
15.137
0.002
90
null
108.131
0.012
90
null
2,273.8
0.4
200
2
200
2
null
null
null
null
5
P 1 21/n 1
-P 2yn
14
- C18 H36 N2 Si2 Zr -
- C18 H36 N2 Si2 Zr -
- C72 H144 N8 Si8 Zr4 -
4
1
Cano, Jesús; Sudupe, María; Royo, Pascual; Mosquera, Marta E. G.
Insertion Reactions into the Metal‒Alkyl and Metal‒Amido Bonds of 1,3-Di(silyl-η-amido)cyclopentadienyl Titanium and Zirconium Complexes
Organometallics
2,005
24
10
2424
2432
10.1021/om048984e
x-ray
0.71073
MoKα
0.0683
0.0402
null
null
0.0886
0.1001
null
null
null
null
null
1.065
null
null
has coordinates
Cano, Jesús; Sudupe, María; Royo, Pascual; Mosquera, Marta E. G. Insertion Reactions into the Metal‒Alkyl and Metal‒Amido Bonds of 1,3-Di(silyl-η-amido)cyclopentadienyl Titanium and Zirconium Complexes Organometallics 24(10) (2005) 2424-2432
176,428
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176428 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/07/1100798.cif $ #-------------------------------------------------------------------...
1,100,799
11.119
0.002
19.43
0.004
15.805
0.002
90
null
106.355
0.011
90
null
3,276.4
1
200
2
200
2
null
null
null
null
5
P 1 21/c 1
-P 2ybc
14
- C33 H49 N3 Si2 Zr -
- C33 H49 N3 Si2 Zr -
- C132 H196 N12 Si8 Zr4 -
4
1
Cano, Jesús; Sudupe, María; Royo, Pascual; Mosquera, Marta E. G.
Insertion Reactions into the Metal‒Alkyl and Metal‒Amido Bonds of 1,3-Di(silyl-η-amido)cyclopentadienyl Titanium and Zirconium Complexes
Organometallics
2,005
24
10
2424
2432
10.1021/om048984e
x-ray
0.71073
MoKα
0.1359
0.0636
null
null
0.121
0.1446
null
null
null
null
null
1.02
null
null
has coordinates,has disorder
Cano, Jesús; Sudupe, María; Royo, Pascual; Mosquera, Marta E. G. Insertion Reactions into the Metal‒Alkyl and Metal‒Amido Bonds of 1,3-Di(silyl-η-amido)cyclopentadienyl Titanium and Zirconium Complexes Organometallics 24(10) (2005) 2424-2432
176,428
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176428 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/07/1100799.cif $ #-------------------------------------------------------------------...
1,100,800
9.7722
0.001
11.3369
0.0004
17.0066
0.0016
98.372
0.006
102.866
0.01
99.863
0.007
1,776.2
0.3
200
2
200
2
null
null
null
null
5
P -1
-P 1
2
- C36 H54 N4 Si2 Ti -
- C36 H54 N4 Si2 Ti -
- C72 H108 N8 Si4 Ti2 -
2
1
Cano, Jesús; Sudupe, María; Royo, Pascual; Mosquera, Marta E. G.
Insertion Reactions into the Metal–Alkyl and Metal–Amido Bonds of 1,3-Di(silyl-η-amido)cyclopentadienyl Titanium and Zirconium Complexes
Organometallics
2,005
24
10
2424
2432
10.1021/om048984e
x-ray
0.71073
MoKα
0.1097
0.0614
null
null
0.1466
0.1654
null
null
null
null
null
1.023
null
null
has coordinates
Cano, Jesús; Sudupe, María; Royo, Pascual; Mosquera, Marta E. G. Insertion Reactions into the Metal–Alkyl and Metal–Amido Bonds of 1,3-Di(silyl-η-amido)cyclopentadienyl Titanium and Zirconium Complexes Organometallics 24(10) (2005) 2424-2432
277,831
2022-09-14
14:31:32
#------------------------------------------------------------------------------ #$Date: 2022-09-14 17:31:13 +0300 (Wed, 14 Sep 2022) $ #$Revision: 277831 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/08/1100800.cif $ #-------------------------------------------------------------------...
1,100,801
6.5764
0.0009
13.4764
0.0019
17.321
0.002
75.545
0.002
81.394
0.002
82.551
0.002
1,462.9
0.3
100
2
100
2
null
null
null
null
8
P -1
-P 1
2
- C34 H62 Cl2 F24 N12 O4 P8 Ru2 -
- C34 H62 Cl2 F24 N12 O4 P8 Ru2 -
- C34 H62 Cl2 F24 N12 O4 P8 Ru2 -
1
0.5
Mebi, Charles A.; Frost, Brian J.
Effect of pH on the Biphasic Catalytic Hydrogenation of Benzylidene Acetone Using CpRu(PTA)~2~H
Organometallics
2,005
24
10
2339
2346
10.1021/om048987r
0.71073
MoKα
0.1534
0.0669
null
null
0.1353
0.1524
null
null
null
null
null
0.929
null
null
has coordinates
Mebi, Charles A.; Frost, Brian J. Effect of pH on the Biphasic Catalytic Hydrogenation of Benzylidene Acetone Using CpRu(PTA)~2~H Organometallics 24(10) (2005) 2339-2346
180,561
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-28 07:52:51 +0300 (Mon, 28 Mar 2016) $ #$Revision: 180561 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/08/1100801.cif $ #-------------------------------------------------------------------...
1,100,802
26.2152
0.0019
14.954
0.0011
6.4535
0.0005
90
null
90
null
90
null
2,529.9
0.3
123
2
123
2
null
null
null
null
8
P n a 21
P 2c -2n
33
- C17 H30 Cl F6 N6 O3 P3 Ru -
- C17 H30 Cl F6 N6 O3 P3 Ru -
- C68 H120 Cl4 F24 N24 O12 P12 Ru4 -
4
1
Mebi, Charles A.; Frost, Brian J.
Effect of pH on the Biphasic Catalytic Hydrogenation of Benzylidene Acetone Using CpRu(PTA)~2~H
Organometallics
2,005
24
10
2339
2346
10.1021/om048987r
0.71073
MoKα
0.0745
0.0471
null
null
0.0918
0.0984
null
null
null
null
null
0.928
null
null
has coordinates
Mebi, Charles A.; Frost, Brian J. Effect of pH on the Biphasic Catalytic Hydrogenation of Benzylidene Acetone Using CpRu(PTA)~2~H Organometallics 24(10) (2005) 2339-2346
180,561
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-28 07:52:51 +0300 (Mon, 28 Mar 2016) $ #$Revision: 180561 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/08/1100802.cif $ #-------------------------------------------------------------------...
1,100,803
18.2636
0.0011
9.3501
0.0004
9.2895
0.0004
90
null
90
null
90
null
1,586.34
0.14
133
2
133
2
null
null
null
null
6
P c a 21
P 2c -2ac
29
- C13 H23 Cl N2 O Pd -
- C13 H23 Cl N2 O Pd -
- C52 H92 Cl4 N8 O4 Pd4 -
4
1
Vicente, José; Arcas, Aurelia; Fernández-Hernández, Jesús M.; Bautista, Delia; Jones, Peter G.
Reactivity of [Pd{CH~2~C(O)Me}Cl]~n~ toward Isocyanides
Organometallics
2,005
24
10
2516
2527
10.1021/om048999c
0.71073
MoKα
0.0166
0.0152
null
null
0.0381
0.0386
null
null
null
null
null
1.044
null
null
has coordinates
Vicente, José; Arcas, Aurelia; Fernández-Hernández, Jesús M.; Bautista, Delia; Jones, Peter G. Reactivity of [Pd{CH~2~C(O)Me}Cl]~n~ toward Isocyanides Organometallics 24(10) (2005) 2516-2527
180,560
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-28 07:38:26 +0300 (Mon, 28 Mar 2016) $ #$Revision: 180560 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/08/1100803.cif $ #-------------------------------------------------------------------...
1,100,804
8.6505
0.0005
11.8001
0.0005
18.7442
0.0014
83.546
0.005
87.742
0.005
70.234
0.004
1,789.2
0.19
173
2
173
2
null
null
null
null
8
P -1
-P 1
2
- C32 H33 Cl3 F3 N3 O4 Pd S -
- C32 H33 Cl3 F3 N3 O4 Pd S -
- C64 H66 Cl6 F6 N6 O8 Pd2 S2 -
2
1
Vicente, José; Arcas, Aurelia; Fernández-Hernández, Jesús M.; Bautista, Delia; Jones, Peter G.
Reactivity of [Pd{CH~2~C(O)Me}Cl]~n~ toward Isocyanides
Organometallics
2,005
24
10
2516
2527
10.1021/om048999c
0.71073
MoKα
0.0361
0.029
null
null
0.0684
0.0705
null
null
null
null
null
1.041
null
null
has coordinates,has disorder
Vicente, José; Arcas, Aurelia; Fernández-Hernández, Jesús M.; Bautista, Delia; Jones, Peter G. Reactivity of [Pd{CH~2~C(O)Me}Cl]~n~ toward Isocyanides Organometallics 24(10) (2005) 2516-2527
180,560
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-28 07:38:26 +0300 (Mon, 28 Mar 2016) $ #$Revision: 180560 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/08/1100804.cif $ #-------------------------------------------------------------------...
1,100,805
6.9618
0.0004
9.6073
0.0008
16.1541
0.0009
73.219
0.003
89.975
0.003
81.823
0.003
1,022.98
0.12
133
2
133
2
null
null
null
null
7
P -1
-P 1
2
- C13 H20 N O5 P Si2 W -
- C13 H20 N O5 P Si2 W -
- C26 H40 N2 O10 P2 Si4 W2 -
2
1
Ionescu, Emanuel; von Frantzius, Gerd; Jones, Peter G.; Streubel, Rainer
Photochemical and Thermal Reactions of a 2H-Azaphosphirene Complex with Isonitriles
Organometallics
2,005
24
9
2237
2240
10.1021/om049014u
0.71073
MoKα
0.0185
0.0159
null
null
0.0341
0.0346
null
null
null
null
null
0.998
4,060,308
null
has coordinates
Ionescu, Emanuel; von Frantzius, Gerd; Jones, Peter G.; Streubel, Rainer Photochemical and Thermal Reactions of a 2H-Azaphosphirene Complex with Isonitriles Organometallics 24(9) (2005) 2237-2240
211,332
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2018-10-05 15:19:55 +0300 (Fri, 05 Oct 2018) $ #$Revision: 211332 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/08/1100805.cif $ #-------------------------------------------------------------------...
1,100,806
13.432
0.0013
10.5988
0.001
16.2393
0.0015
90
null
113.411
0.009
90
null
2,121.6
0.3
140
2
140
2
null
null
null
null
7
P 1 21/c 1
-P 2ybc
14
- C17.5 H31 Cl3 N3 O0.5 P Ru -
- C17.5 H31 Cl3 N3 O0.5 P Ru -
- C70 H124 Cl12 N12 O2 P4 Ru4 -
4
1
Dorcier, Antoine; Dyson, Paul J.; Gossens, Christian; Rothlisberger, Ursula; Scopelliti, Rosario; Tavernelli, Ivano
Binding of Organometallic Ruthenium(II) and Osmium(II) Complexes to an Oligonucleotide: A Combined Mass Spectrometric and Theoretical Study
Organometallics
2,005
24
9
2114
2123
10.1021/om049022a
0.71073
MoKα
0.0513
0.0426
null
null
0.1101
0.1147
null
null
null
null
null
1.022
4,060,315
null
has coordinates,has disorder
Dorcier, Antoine; Dyson, Paul J.; Gossens, Christian; Rothlisberger, Ursula; Scopelliti, Rosario; Tavernelli, Ivano Binding of Organometallic Ruthenium(II) and Osmium(II) Complexes to an Oligonucleotide: A Combined Mass Spectrometric and Theoretical Study Organometallics 24(9) (2005) 2114-2123
180,562
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-28 08:41:18 +0300 (Mon, 28 Mar 2016) $ #$Revision: 180562 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/08/1100806.cif $ #-------------------------------------------------------------------...
1,100,807
10.579
0.002
12.7402
0.0009
20.977
0.004
90
null
101.171
0.016
90
null
2,773.7
0.8
140
2
140
2
null
null
null
null
6
P 1 21/n 1
-P 2yn
14
- C18 H28 Cl8 N3 Os P -
- C18 H28 Cl8 N3 Os P -
- C72 H112 Cl32 N12 Os4 P4 -
4
1
Dorcier, Antoine; Dyson, Paul J.; Gossens, Christian; Rothlisberger, Ursula; Scopelliti, Rosario; Tavernelli, Ivano
Binding of Organometallic Ruthenium(II) and Osmium(II) Complexes to an Oligonucleotide: A Combined Mass Spectrometric and Theoretical Study
Organometallics
2,005
24
9
2114
2123
10.1021/om049022a
0.7107
MoKα
0.046
0.0426
null
null
0.1106
0.1139
null
null
null
null
null
1.128
4,060,316
null
has coordinates
Dorcier, Antoine; Dyson, Paul J.; Gossens, Christian; Rothlisberger, Ursula; Scopelliti, Rosario; Tavernelli, Ivano Binding of Organometallic Ruthenium(II) and Osmium(II) Complexes to an Oligonucleotide: A Combined Mass Spectrometric and Theoretical Study Organometallics 24(9) (2005) 2114-2123
180,562
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-28 08:41:18 +0300 (Mon, 28 Mar 2016) $ #$Revision: 180562 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/08/1100807.cif $ #-------------------------------------------------------------------...
1,100,808
13.5918
0.002
10.7345
0.0009
16.442
0.002
90
null
113.142
0.014
90
null
2,205.9
0.5
140
2
140
2
null
null
null
null
7
P 1 21/c 1
-P 2ybc
14
- C17.5 H31 Cl3 N3 O0.5 Os P -
- C17.5 H31 Cl3 N3 O0.5 Os P -
- C70 H124 Cl12 N12 O2 Os4 P4 -
4
1
Dorcier, Antoine; Dyson, Paul J.; Gossens, Christian; Rothlisberger, Ursula; Scopelliti, Rosario; Tavernelli, Ivano
Binding of Organometallic Ruthenium(II) and Osmium(II) Complexes to an Oligonucleotide: A Combined Mass Spectrometric and Theoretical Study
Organometallics
2,005
24
9
2114
2123
10.1021/om049022a
0.71073
MoKα
0.0865
0.0774
null
null
0.1656
0.17
null
null
null
null
null
1.196
4,060,317
null
has coordinates,has disorder
Dorcier, Antoine; Dyson, Paul J.; Gossens, Christian; Rothlisberger, Ursula; Scopelliti, Rosario; Tavernelli, Ivano Binding of Organometallic Ruthenium(II) and Osmium(II) Complexes to an Oligonucleotide: A Combined Mass Spectrometric and Theoretical Study Organometallics 24(9) (2005) 2114-2123
180,562
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-28 08:41:18 +0300 (Mon, 28 Mar 2016) $ #$Revision: 180562 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/08/1100808.cif $ #-------------------------------------------------------------------...
1,100,809
9.0352
0.0003
20.1007
0.0008
18.2507
0.0007
90
null
104.14
0.002
90
null
3,214.2
0.2
150
null
150
null
null
null
null
null
6
P 1 21/n 1
-P 2yn
14
[Ti{Me3SiNC(Ph)CH2CH2CH2NMe2}{OC(O)N-t-Bu}]
- C30 H50 N4 O2 Si Ti -
- C30 H50 N4 O2 Si Ti -
- C120 H200 N16 O8 Si4 Ti4 -
4
1
Boyd, Catherine L.; Clot, Eric; Guiducci, Aldo E.; Mountford, Philip
Pendant Arm Functionalized Benzamidinate Titanium Imido Compounds: Experimental and Computational Studies of Their Reactions with CO~2~
Organometallics
2,005
24
10
2347
2367
10.1021/om049026f
0.71073
MoKα
null
0.0597
null
null
null
0.0496
null
null
null
null
null
1.0724
null
null
has coordinates
Boyd, Catherine L.; Clot, Eric; Guiducci, Aldo E.; Mountford, Philip Pendant Arm Functionalized Benzamidinate Titanium Imido Compounds: Experimental and Computational Studies of Their Reactions with CO~2~ Organometallics 24(10) (2005) 2347-2367
211,332
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2018-10-05 15:19:55 +0300 (Fri, 05 Oct 2018) $ #$Revision: 211332 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/08/1100809.cif $ #-------------------------------------------------------------------...
1,100,810
12.7045
0.0004
16.1774
0.0004
22.812
0.0008
108.2
0.001
94.168
0.001
90.162
0.002
4,440.5
null
150
null
150
null
null
null
null
null
[Ti(N-t-Bu){Me3SiNC(C6H5)NCH2CH2NMe2}Cl] + CO2
6
P -1
-P 1
2
[Ti2(mu-O)2(C5H4Me)2{Me3SiNC(C6H5)NCH2CH2NMe2}2]
- C40 H62 N6 O2 Si2 Ti2 -
- C40 H62 N6 O2 Si2 Ti2 -
- C160 H248 N24 O8 Si8 Ti8 -
4
2
Boyd, Catherine L.; Clot, Eric; Guiducci, Aldo E.; Mountford, Philip
Pendant Arm Functionalized Benzamidinate Titanium Imido Compounds: Experimental and Computational Studies of Their Reactions with CO~2~
Organometallics
2,005
24
10
2347
2367
10.1021/om049026f
0.71073
MoKα
null
0.0522
null
null
null
0.0575
null
null
null
null
null
0.2534
null
null
has coordinates
Boyd, Catherine L.; Clot, Eric; Guiducci, Aldo E.; Mountford, Philip Pendant Arm Functionalized Benzamidinate Titanium Imido Compounds: Experimental and Computational Studies of Their Reactions with CO~2~ Organometallics 24(10) (2005) 2347-2367
211,332
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2018-10-05 15:19:55 +0300 (Fri, 05 Oct 2018) $ #$Revision: 211332 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/08/1100810.cif $ #-------------------------------------------------------------------...
1,100,811
9.3597
0.0002
10.7886
0.0002
12.1749
0.0003
72.8419
0.0008
76.2046
0.0008
72.8192
0.0009
1,106.74
0.04
150
null
150
null
null
null
null
null
6
P -1
-P 1
2
[Ti2(mu-O)2(C5H4Me)2{Me3SiNC(C6H5)NCH2CH2CH2NMe2}2]
- C42 H66 N6 O2 Si2 Ti2 -
- C42 H66 N6 O2 Si2 Ti2 -
- C42 H66 N6 O2 Si2 Ti2 -
1
0.5
Boyd, Catherine L.; Clot, Eric; Guiducci, Aldo E.; Mountford, Philip
Pendant Arm Functionalized Benzamidinate Titanium Imido Compounds: Experimental and Computational Studies of Their Reactions with CO~2~
Organometallics
2,005
24
10
2347
2367
10.1021/om049026f
0.71073
MoKα
null
0.0367
null
null
0.0387
null
null
null
null
1.076
1.076
null
null
null
has coordinates
Boyd, Catherine L.; Clot, Eric; Guiducci, Aldo E.; Mountford, Philip Pendant Arm Functionalized Benzamidinate Titanium Imido Compounds: Experimental and Computational Studies of Their Reactions with CO~2~ Organometallics 24(10) (2005) 2347-2367
211,332
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2018-10-05 15:19:55 +0300 (Fri, 05 Oct 2018) $ #$Revision: 211332 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/08/1100811.cif $ #-------------------------------------------------------------------...
1,100,812
13.882
0.002
14.823
0.002
15.492
0.006
90
null
90.92
0.02
90
null
3,187.4
1.4
203
2
203
2
null
null
null
null
4
P 1 21/n 1
-P 2yn
14
- C34 H46 Co N3 -
- C34 H46 Co N3 -
- C136 H184 Co4 N12 -
4
1
Humphries, Martin J.; Tellmann, Kilian P.; Gibson, Vernon C.; White, Andrew J. P.; Williams, David J.
Investigations into the Mechanism of Activation and Initiation of Ethylene Polymerization by Bis(imino)pyridine Cobalt Catalysts: Synthesis, Structures, and Deuterium Labeling Studies
Organometallics
2,005
24
9
2039
2050
10.1021/om049032b
0.71073
MoKα
0.0999
0.0543
null
null
0.1026
0.1142
null
null
null
null
null
0.978
4,060,323
null
has coordinates
Humphries, Martin J.; Tellmann, Kilian P.; Gibson, Vernon C.; White, Andrew J. P.; Williams, David J. Investigations into the Mechanism of Activation and Initiation of Ethylene Polymerization by Bis(imino)pyridine Cobalt Catalysts: Synthesis, Structures, and Deuterium Labeling Studies Organometallics 24(9) (2005) 2039-...
180,564
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-28 10:15:27 +0300 (Mon, 28 Mar 2016) $ #$Revision: 180564 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/08/1100812.cif $ #-------------------------------------------------------------------...
1,100,813
36.945
0.011
8.062
0.003
17.718
0.005
90
null
101.91
0.05
90
null
5,164
3
203
2
203
2
null
null
null
null
5
C 1 2/c 1
-C 2yc
15
- C27 H31 Cl Co N3 -
- C27 H31 Cl Co N3 -
- C216 H248 Cl8 Co8 N24 -
8
1
Humphries, Martin J.; Tellmann, Kilian P.; Gibson, Vernon C.; White, Andrew J. P.; Williams, David J.
Investigations into the Mechanism of Activation and Initiation of Ethylene Polymerization by Bis(imino)pyridine Cobalt Catalysts: Synthesis, Structures, and Deuterium Labeling Studies
Organometallics
2,005
24
9
2039
2050
10.1021/om049032b
0.71073
MoKα
0.083
0.0444
null
null
0.0942
0.1053
null
null
null
null
null
0.975
4,060,324
null
has coordinates
Humphries, Martin J.; Tellmann, Kilian P.; Gibson, Vernon C.; White, Andrew J. P.; Williams, David J. Investigations into the Mechanism of Activation and Initiation of Ethylene Polymerization by Bis(imino)pyridine Cobalt Catalysts: Synthesis, Structures, and Deuterium Labeling Studies Organometallics 24(9) (2005) 2039-...
180,564
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-28 10:15:27 +0300 (Mon, 28 Mar 2016) $ #$Revision: 180564 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/08/1100813.cif $ #-------------------------------------------------------------------...
1,100,814
10.0185
0.0012
17.18
0.002
23.544
0.003
90
null
98.977
0.003
90
null
4,002.7
0.8
150
2
150
2
null
null
null
null
6
P 1 21/c 1
-P 2ybc
14
tri-μ-chloro-bis{(η^6^-ethoxybenzene)ruthenium(II)}(1+)tetraphenylborate(1-) 1 acetone solvate
- C43 H46 B Cl3 O3 Ru2 -
- C43 H46 B Cl3 O3 Ru2 -
- C172 H184 B4 Cl12 O12 Ru8 -
4
1
Soleimannejad, Janet; White, Colin
A Convenient One-Pot Synthesis of a Functionalized-Arene Ruthenium Half-Sandwich Compound [RuCl~2~(η^6^-C~6~H~5~OCH~2~CH~2~OH)]~2~
Organometallics
null
24
10
2538
2541
10.1021/om049044x
0.71073
MoKα
0.076
0.0443
null
null
0.1062
0.1208
null
null
null
null
null
0.976
null
null
has coordinates,has disorder
Soleimannejad, Janet; White, Colin A Convenient One-Pot Synthesis of a Functionalized-Arene Ruthenium Half-Sandwich Compound [RuCl~2~(η^6^-C~6~H~5~OCH~2~CH~2~OH)]~2~ Organometallics 24(10) () 2538-2541
180,565
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-28 10:38:59 +0300 (Mon, 28 Mar 2016) $ #$Revision: 180565 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/08/1100814.cif $ #-------------------------------------------------------------------...
1,100,815
6.149
0.003
9.548
0.004
9.604
0.005
116.519
0.011
108.648
0.009
91.492
0.008
468.4
0.4
150
2
150
2
null
null
null
null
5
P -1
-P 1
2
di-μ-chloro-bis{chloro(η^6^-2-hydroxyethoxybenzene)ruthenium(II)}
- C16 H20 Cl4 O4 Ru2 -
- C16 H20 Cl4 O4 Ru2 -
- C16 H20 Cl4 O4 Ru2 -
1
0.5
Soleimannejad, Janet; White, Colin
A Convenient One-Pot Synthesis of a Functionalized-Arene Ruthenium Half-Sandwich Compound [RuCl~2~(η^6^-C~6~H~5~OCH~2~CH~2~OH)]~2~
Organometallics
null
24
10
2538
2541
10.1021/om049044x
0.71073
MoKα
0.1107
0.0727
null
null
0.1678
0.1857
null
null
null
null
null
0.95
null
null
has coordinates
Soleimannejad, Janet; White, Colin A Convenient One-Pot Synthesis of a Functionalized-Arene Ruthenium Half-Sandwich Compound [RuCl~2~(η^6^-C~6~H~5~OCH~2~CH~2~OH)]~2~ Organometallics 24(10) () 2538-2541
180,565
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-28 10:38:59 +0300 (Mon, 28 Mar 2016) $ #$Revision: 180565 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/08/1100815.cif $ #-------------------------------------------------------------------...