LMucko/crystallography-open-database · Datasets at Hugging Face

2,001,725

7.35

0.004

19.906

0.01

6.726

0.005

93.93

0.06

109.1

0.06

87.59

0.05

927.5

1

152

1

null

5

P -1

-P 1

2

- C17 H21 Br O4 Si -

- C34 H42 Br2 O8 Si2 -

2

1

BR1021

Parvez, M.; Yu, S.; Keay, B. A.

p-Bromobenzoate derivative of 3-(tert-butyldimethylsilyl)-5-hydroxy-2(5H)-furanone

Acta Crystallographica Section C

1,993

49

5

992

993

10.1107/S010827019201165X

0.71069

MoKα

null

0.048

null

0.033

null

3.49

null

has coordinates

Parvez, M.; Yu, S.; Keay, B. A. p-Bromobenzoate derivative of 3-(tert-butyldimethylsilyl)-5-hydroxy-2(5H)-furanone Acta Crystallographica Section C 49(5) (1993) 992-993

301,791

2025-08-18

23:15:00

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2,001,726

11.962

0.002

20.917

0.004

7.624

0.002

90

null

90

null

90

null

1,907.6

0.7

288

null

4

P 21 21 21

P 2ac 2ab

null

- C18 H19 N3 O9 -

- C72 H76 N12 O36 -

4

1

AS1024

Ogawa, T.; Matsumoto, K.; Yokoo, C.; Hatayama, K.; Kitamura, K.

Structure of methyl 2-(nitrooxy)ethyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate

Acta Crystallographica Section C

1,993

49

5

993

996

10.1107/S0108270192012447

1.5418

CuKα

null

0.031

null

0.052

null

2.55

null

has coordinates

Ogawa, T.; Matsumoto, K.; Yokoo, C.; Hatayama, K.; Kitamura, K. Structure of methyl 2-(nitrooxy)ethyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate Acta Crystallographica Section C 49(5) (1993) 993-996

301,791

2025-08-18

23:15:00

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2,001,727

11.562

0.002

9.9784

0.0009

9.6781

0.0009

90

null

90

null

90

null

1,116.6

0.2

296

null

3

P c a 21

P 2c -2ac

null

- C13 H18 O3 -

- C13 H17 O3 -

- C52 H68 O12 -

4

1

CR1036

Mague, J. T.; Ensley, H. E.; Chen, G.

Structure of the epoxide of a tricyclic lactone

Acta Crystallographica Section C

1,993

49

5

996

998

10.1107/S0108270192011971

0.71073

MoKα

null

0.039

null

0.048

null

1.53

null

has coordinates

Mague, J. T.; Ensley, H. E.; Chen, G. Structure of the epoxide of a tricyclic lactone Acta Crystallographica Section C 49(5) (1993) 996-998

176,759

2020-10-21

18:00:00

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7,106,553

12.6447

0.0012

21.628

0.002

15.6491

0.0015

90

null

103.716

0.006

90

null

4,157.7

0.7

110

2

110

2

null

6

P 1 21/n 1

-P 2yn

14

- C20 H27 Br N2 O2 Pd -

- C160 H216 Br8 N16 O16 Pd8 -

8

2

Alejandro Bugarin; Brian T. Connell

A highly active and selective palladium pincer catalyst for the formation of ?-aryl ketones via cross-coupling

Chem.Commun.

2,011

47

7218

10.1039/c1cc12071a

1.54178

CuKα

0.0364

0.0311

null

0.069

0.0707

null

1.004

null

has coordinates,has disorder

Alejandro Bugarin; Brian T. Connell A highly active and selective palladium pincer catalyst for the formation of ?-aryl ketones via cross-coupling Chem.Commun. 47 (2011) 7218

180,169

2020-10-21

18:00:00

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2,001,728

21.693

0.006

5.762

0.002

16.404

0.004

90

null

107.05

0.02

90

null

1,960.3

1

301

null

4

P 1 21/c 1

-P 2ybc

null

- C17 H24 N4 O4 -

- C68 H96 N16 O16 -

4

1

HH1014

Newkome, G. R.; Weis, C. D.; Lin, X.; Fronczek, F. R.

5,5-Bis(4-cyano-2-oxabutyl)-1,9-dicyano-3,7-dioxanonane

Acta Crystallographica Section C

1,993

49

5

998

1000

10.1107/S0108270192012307

1.54184

CuKα

null

0.067

null

0.081

null

3.504

null

has coordinates

Newkome, G. R.; Weis, C. D.; Lin, X.; Fronczek, F. R. 5,5-Bis(4-cyano-2-oxabutyl)-1,9-dicyano-3,7-dioxanonane Acta Crystallographica Section C 49(5) (1993) 998-1000

301,791

2025-08-18

23:15:00

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2,001,729

17.696

0.004

10.36

0.002

8.733

0.001

90

null

93.47

0.02

90

null

1,598.1

0.5

295

null

3

P 1 21/c 1

-P 2ybc

null

- C14 H20 O8 -

- C14 H19 O8 -

- C56 H76 O32 -

4

1

BR1022

Jiang, A.; Hong, L.; See, R. F.; Churchill, M. R.

Structure of a hexasubstituted 1,3-dioxane compound derived from Meldrum's acid: C~4~O~4~(CH~3~)~2~(CH~2~CO~2~C~2~H~5~)~2~

Acta Crystallographica Section C

1,993

49

5

1000

1001

10.1107/S0108270192011703

0.71073

MoKα

null

1.6

null

has coordinates

Jiang, A.; Hong, L.; See, R. F.; Churchill, M. R. Structure of a hexasubstituted 1,3-dioxane compound derived from Meldrum's acid: C~4~O~4~(CH~3~)~2~(CH~2~CO~2~C~2~H~5~)~2~ Acta Crystallographica Section C 49(5) (1993) 1000-1001

176,759

2020-10-21

18:00:00

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2,001,730

10.205

0.001

10.205

0.001

32.229

0.01

90

null

90

null

90

null

3,356.4

1.1

297

null

2

I 4 1/a (origin at -1)

-I 4ad

null

- C22 H26 -

- C176 H208 -

8

null

AB1030

Zhang, D.; Xu, Y.; Koh, L. L.; Lam, Y. L.; Huang, H. H.

Structures of 1,1'-diphenyl-1,1'-bicyclopentyl, 1,1'-diphenyl-1,1'-bicyclohexyl and 1,1'-diphenyl-1,1'-bicycloheptyl

Acta Crystallographica Section C

1,993

49

5

1002

1007

10.1107/S0108270192011314

0.71073

MoKα

null

0.599

null

0.485

null

1.53

null

has coordinates

Zhang, D.; Xu, Y.; Koh, L. L.; Lam, Y. L.; Huang, H. H. Structures of 1,1'-diphenyl-1,1'-bicyclopentyl, 1,1'-diphenyl-1,1'-bicyclohexyl and 1,1'-diphenyl-1,1'-bicycloheptyl Acta Crystallographica Section C 49(5) (1993) 1002-1007

301,791

2025-08-18

23:15:00

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2,001,731

17.306

0.009

6.499

0.003

16.596

0.011

90

null

102.29

0.05

90

null

1,823.8

1.8

298

null

2

C 1 2/c 1

-C 2yc

null

- C24 H30 -

- C96 H120 -

4

0.5

AB1030

Zhang, D.; Xu, Y.; Koh, L. L.; Lam, Y. L.; Huang, H. H.

Structures of 1,1'-diphenyl-1,1'-bicyclopentyl, 1,1'-diphenyl-1,1'-bicyclohexyl and 1,1'-diphenyl-1,1'-bicycloheptyl

Acta Crystallographica Section C

1,993

49

5

1002

1007

10.1107/S0108270192011314

0.71073

MoKα

null

0.0368

null

0.0438

null

0.64

null

has coordinates

Zhang, D.; Xu, Y.; Koh, L. L.; Lam, Y. L.; Huang, H. H. Structures of 1,1'-diphenyl-1,1'-bicyclopentyl, 1,1'-diphenyl-1,1'-bicyclohexyl and 1,1'-diphenyl-1,1'-bicycloheptyl Acta Crystallographica Section C 49(5) (1993) 1002-1007

301,791

2025-08-18

23:15:00

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7,106,552

17.203

0.005

17.778

0.005

24.873

0.005

88.392

0.005

70.931

0.005

68.14

0.005

6,635

3

153

2

153

2

null

6

P -1

-P 1

2

- C140.63 H161.97 F6 N9 Ni2 O6.09 -

- C140.627 H161.992 F6 N9 Ni2 O6.096 -

- C281.254 H323.984 F12 N18 Ni4 O12.192 -

2

1

Satoru Hiroto; Katsuya Suzuki; Hiroki Kamiya; Hiroshi Shinokubo

Synthetic protocol for diarylethenes through Suzuki-Miyaura coupling

Chem.Commun.

2,011

47

7149

10.1039/c1cc12020d

0.71069

MoKα

0.1146

0.0909

null

0.2512

0.2749

null

1.061

null

has coordinates,has disorder

Satoru Hiroto; Katsuya Suzuki; Hiroki Kamiya; Hiroshi Shinokubo Synthetic protocol for diarylethenes through Suzuki-Miyaura coupling Chem.Commun. 47 (2011) 7149

180,169

2020-10-21

18:00:00

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2,001,732

20.841

0.013

20.805

0.016

19.27

0.02

90

null

104.25

0.06

90

null

8,098

12

298

null

2

C 1 2/c 1

-C 2yc

null

- C26 H34 -

- C416 H544 -

16

2

AB1030

Zhang, D.; Xu, Y.; Koh, L. L.; Lam, Y. L.; Huang, H. H.

Structures of 1,1'-diphenyl-1,1'-bicyclopentyl, 1,1'-diphenyl-1,1'-bicyclohexyl and 1,1'-diphenyl-1,1'-bicycloheptyl

Acta Crystallographica Section C

1,993

49

5

1002

1007

10.1107/S0108270192011314

0.71073

MoKα

null

0.0713

null

0.089

null

1.04

null

has coordinates

Zhang, D.; Xu, Y.; Koh, L. L.; Lam, Y. L.; Huang, H. H. Structures of 1,1'-diphenyl-1,1'-bicyclopentyl, 1,1'-diphenyl-1,1'-bicyclohexyl and 1,1'-diphenyl-1,1'-bicycloheptyl Acta Crystallographica Section C 49(5) (1993) 1002-1007

301,791

2025-08-18

23:15:00

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2,001,733

8.1456

0.0019

10.83

0.003

6.0122

0.001

103.99

0.019

97.88

0.013

80.76

0.013

505.3

0.2

293

null

293

null

4

P -1

-P 1

2

1,4-bis(4'-chlorobenzoyl)-2,3,5,6-tetramethylbenzene

- C24 H20 Cl2 O2 -

1

0.5

MU1021

Ferguson, G.; Patterson, K. H.; Smith, D. M.

1,4-Bis(4-chlorobenzoyl)-2,3,5,6-tetramethylbenzene

Acta Crystallographica Section C

1,993

49

1

190

192

10.1107/S0108270192010539

0.7093

MoKα

0.052

0.04

null

0.067

0.065

null

1.89

null

has coordinates

Ferguson, G.; Patterson, K. H.; Smith, D. M. 1,4-Bis(4-chlorobenzoyl)-2,3,5,6-tetramethylbenzene Acta Crystallographica Section C 49(1) (1993) 190-192

301,791

2025-08-18

23:15:00

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2,001,734

8.107

0.001

9.482

0.002

15.64

0.01

90

null

90

null

97.73

0.02

1,191.3

0.3

298

null

4

P -1

-P 1

2

- C13 H14 N2 O2 -

- C6.5 H7 N O -

- C26 H28 N4 O4 -

4

2

PA0282

Jaulmes, S.; Dugué, J.; Agafonov, V.; Céolin, R.; Cense, J. M.; Lepage, F.

Structure of N-(2,6-dimethylphenyl)-5-methylisoxazole-3-carboxamide and molecular-orbital study of C‒H ... O bonded dimers

Acta Crystallographica Section C

1,993

49

5

1007

1011

10.1107/S0108270192011338

0.7107

MoKα

null

0.044

null

0.042

null

1.84

null

has coordinates

Jaulmes, S.; Dugué, J.; Agafonov, V.; Céolin, R.; Cense, J. M.; Lepage, F. Structure of N-(2,6-dimethylphenyl)-5-methylisoxazole-3-carboxamide and molecular-orbital study of C‒H ... O bonded dimers Acta Crystallographica Section C 49(5) (1993) 1007-1011

176,432

2020-10-21

18:00:00

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7,106,551

46.15

0.004

46.15

0.004

46.15

0.004

90

null

90

null

90

null

98,291

15

296

2

296

2

null

5

F m -3 m

-F 4 2 3

225

- C540 H840 Cu24 N108 O180 -

- C252 Cu24 N36 O108 -

- C1008 Cu96 N144 O432 -

4

0.020833

Hai-Ning Wang; Xing Meng; Guang-Sheng Yang; Xin-Long Wang; Kui-Zhan Shao; Zhong-Min Su; Chun-Gang Wang

Stepwise Assembly of Metal-Organic Framework Based on a Metal-Organic Polyhedron Precursor for Drug Delivery

Chem.Commun.

2,011

47

7128

10.1039/c1cc11932j

0.71073

MoKα

0.1834

0.0963

null

0.2644

0.3093

null

1.045

null

has coordinates

Hai-Ning Wang; Xing Meng; Guang-Sheng Yang; Xin-Long Wang; Kui-Zhan Shao; Zhong-Min Su; Chun-Gang Wang Stepwise Assembly of Metal-Organic Framework Based on a Metal-Organic Polyhedron Precursor for Drug Delivery Chem.Commun. 47 (2011) 7128

180,169

2020-10-21

18:00:00

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2,001,735

7.492

0.003

7.505

0.005

9.502

0.003

90

null

109.02

0.03

90

null

505.1

0.4

300

null

3

P 1 21 1

P 2yb

4

- C12 H12 N2 -

- C24 H24 N4 -

2

1

DU1007

Gourdon, A.

3,3'-Dimethyl-4,4'-bipyridine and 5,5'-dimethyl-4,4'-bipyrimidine

Acta Crystallographica Section C

1,993

49

5

1011

1013

10.1107/S0108270192012460

0.71069

MoKα

null

0.051

null

0.043

null

has coordinates

Gourdon, A. 3,3'-Dimethyl-4,4'-bipyridine and 5,5'-dimethyl-4,4'-bipyrimidine Acta Crystallographica Section C 49(5) (1993) 1011-1013

301,791

2025-08-18

23:15:00

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2,001,736

7

0.004

16.853

0.009

3.8986

0.0007

90

null

90

null

90

null

459.9

0.4

300

null

3

P 21 21 2

P 2 2ab

null

- C10 H10 N4 -

- C20 H20 N8 -

2

0.5

DU1007

Gourdon, A.

3,3'-Dimethyl-4,4'-bipyridine and 5,5'-dimethyl-4,4'-bipyrimidine

Acta Crystallographica Section C

1,993

49

5

1011

1013

10.1107/S0108270192012460

0.71069

MoKα

null

0.026

null

0.026

null

has coordinates

Gourdon, A. 3,3'-Dimethyl-4,4'-bipyridine and 5,5'-dimethyl-4,4'-bipyrimidine Acta Crystallographica Section C 49(5) (1993) 1011-1013

301,791

2025-08-18

23:15:00

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2,001,737

11.953

0.003

7.116

0.001

17.626

0.004

90

null

108.95

0.02

90

null

1,418

0.5

193

null

193

null

3

P 1 21/c 1

-P 2ybc

14

Benzylideneanthrone

- C21 H14 O -

- C84 H56 O4 -

4

1

HH1020

Ghosh, R.; Lynch, V. M.; Simonsen, S. H.; Prasad, R. S.; Roberts, R. M.

Structure of an overcrowded molecule, benzylideneanthrone, at 193 K

Acta Crystallographica Section C

1,993

49

5

1013

1015

10.1107/S0108270192012356

0.71073

MoKα

0.1049

0.0541

null

0.075

0.0592

null

1.18

null

has coordinates

Ghosh, R.; Lynch, V. M.; Simonsen, S. H.; Prasad, R. S.; Roberts, R. M. Structure of an overcrowded molecule, benzylideneanthrone, at 193 K Acta Crystallographica Section C 49(5) (1993) 1013-1015

301,791

2025-08-18

23:15:00

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2,001,738

12.135

0.002

13.572

0.001

8.75

0.001

90

null

118.37

0.01

90

null

1,268

0.3

293

null

6

C 1 c 1

C -2yc

null

- C10 H10 Cl N3 O2 S -

- C40 H40 Cl4 N12 O8 S4 -

4

1

LI1029

Iulek, J.; Zukerman-Schpector, J.; Barreiro, E. J.; Freitas, A. C. C.

Structures of pyrazole derivatives. II. A potential bioisoster of acetazolamide

Acta Crystallographica Section C

1,993

49

5

1015

1017

10.1107/S0108270192011090

0.70926

MoKα

null

0.043

null

0.044

null

1.53

null

has coordinates

Iulek, J.; Zukerman-Schpector, J.; Barreiro, E. J.; Freitas, A. C. C. Structures of pyrazole derivatives. II. A potential bioisoster of acetazolamide Acta Crystallographica Section C 49(5) (1993) 1015-1017

301,791

2025-08-18

23:15:00

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2,001,739

10.951

0.005

12.269

0.003

11.754

0.004

90

null

90

null

90

null

1,579.2

1

296

null

4

P n m a

-P 2ac 2n

62

- C18 H16 Br P -

- C72 H64 Br4 P4 -

4

0.5

HA1023

Bricklebank, N.; Godfrey, S. M.; McAuliffe, C. A.; Pritchard, R. G.

Triphenylphosphonium bromide

Acta Crystallographica Section C

1,993

49

5

1017

1018

10.1107/S0108270192013052

0.7107

MoKα

null

0.052

null

0.0562

null

1.278

null

has coordinates

Bricklebank, N.; Godfrey, S. M.; McAuliffe, C. A.; Pritchard, R. G. Triphenylphosphonium bromide Acta Crystallographica Section C 49(5) (1993) 1017-1018

301,791

2025-08-18

23:15:00

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2,001,740

5.2049

0.0009

23.375

0.004

13.155

0.003

90

null

90

null

90

null

1,600.5

0.5

122

null

122

null

4

F d d 2

F 2 -2d

43

1-Methyl-1-hydroxyurea

- C2 H6 N2 O2 -

- C2 H6 N2 O S -

- C32 H96 N32 O16 S16 -

16

1

AB1049

Nielsen, B. B.; Frydenvang, K.; Larsen, I. K.

Structures of two ribonucleotide reductase inhibitors: 1-hydroxy-1-methylurea and 1-hydroxy-3-methylurea

Acta Crystallographica Section C

1,993

49

5

1018

1022

10.1107/S0108270192012551

0.71073

MoKα

null

0.029

null

0.037

null

0.84

null

has coordinates

Nielsen, B. B.; Frydenvang, K.; Larsen, I. K. Structures of two ribonucleotide reductase inhibitors: 1-hydroxy-1-methylurea and 1-hydroxy-3-methylurea Acta Crystallographica Section C 49(5) (1993) 1018-1022

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/17/2001740.cif $ #-------------------------------------------------------------------...

7,106,550

12.0292

0.0004

12.0292

0.0003

32.9777

0.0007

90

null

90

null

120

null

4,132.61

0.19

233

2

233

2

null

6

P 63/m

-P 6c

176

- C30 H90 I10 Na4 O15 S15 -

- C60 H180 I20 Na8 O30 S30 -

2

0.166667

Alvaro Duarte-Ruiz; Nelson Nunez-Dallos; Luis Garzon-Tovar; Klaus Wurst; Eliseo Avella-Moreno; Fernando Gomez-Baquero

Synthesis and structure of [Na4(DMSO)15][(I3)3(I)]. Self-assembly of hexacoordinated sodium

Chem.Commun.

2,011

47

7110

10.1039/c1cc11898f

0.71073

MoKα

0.0548

0.0352

null

0.0833

0.0902

null

1.081

null

has coordinates

Alvaro Duarte-Ruiz; Nelson Nunez-Dallos; Luis Garzon-Tovar; Klaus Wurst; Eliseo Avella-Moreno; Fernando Gomez-Baquero Synthesis and structure of [Na4(DMSO)15][(I3)3(I)]. Self-assembly of hexacoordinated sodium Chem.Commun. 47 (2011) 7110

180,169

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-26 03:07:40 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180169 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/10/65/7106550.cif $ #-------------------------------------------------------------------...

2,001,741

8.202

0.001

7.081

0.001

7.316

0.001

90

null

101.378

0.009

90

null

416.55

0.1

110

null

110

null

4

P 1 21/n 1

-P 2yn

14

3-Methyl-1-hydroxyurea

- C2 H6 N2 O2 -

- C8 H24 N8 O8 -

4

1

AB1049

Nielsen, B. B.; Frydenvang, K.; Larsen, I. K.

Structures of two ribonucleotide reductase inhibitors: 1-hydroxy-1-methylurea and 1-hydroxy-3-methylurea

Acta Crystallographica Section C

1,993

49

5

1018

1022

10.1107/S0108270192012551

1.5418

CopperKα

null

0.046

null

0.066

null

1.498

null

has coordinates

Nielsen, B. B.; Frydenvang, K.; Larsen, I. K. Structures of two ribonucleotide reductase inhibitors: 1-hydroxy-1-methylurea and 1-hydroxy-3-methylurea Acta Crystallographica Section C 49(5) (1993) 1018-1022

301,791

2025-08-18

23:15:00

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2,001,742

37.363

0.006

10.7689

0.0011

9.8091

0.0011

90

null

95.929

0.011

90

null

3,925.7

0.9

295

null

4

C 1 2/c 1

-C 2yc

null

- C48 H44 N4 O4 -

- C192 H176 N16 O16 -

4

0.5

CD1021

Newkome, G. R.; Rogers, L. E.; Fronczek, F. R.

N,N'-Dibenzylethylenediamineterphthalate dimer

Acta Crystallographica Section C

1,993

49

5

1022

1024

10.1107/S0108270192012964

1.54184

CuKα

null

0.072

null

0.06

null

2.046

null

has coordinates

Newkome, G. R.; Rogers, L. E.; Fronczek, F. R. N,N'-Dibenzylethylenediamineterphthalate dimer Acta Crystallographica Section C 49(5) (1993) 1022-1024

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/17/2001742.cif $ #-------------------------------------------------------------------...

2,001,743

7.7744

0.0006

9.1759

0.0006

10.429

0.0013

74.986

0.008

81.999

0.008

77.091

0.006

697.8

0.12

293

null

293

null

4

P -1

-P 1

2

2,6-bis(methanephosphonic acid)-4-methylphenol 'C9 H14 O7 P2 ,2H2 O '

- C9 H18 O9 P2 -

- C9 H21 O9 P2 -

- C18 H42 O18 P4 -

2

1

BR1012

Ferguson, G.; Gallagher, J. F.; Vogt, W.; Phillips, J.; Williams, G. J. B.

4-Methyl-2,6-bis(phosphonomethyl)phenol dihydrate

Acta Crystallographica Section C

1,993

49

5

1024

1026

10.1107/S0108270192011685

0.7093

MolybdenumKα

0.047

0.045

null

0.068

0.067

null

1.78

null

has coordinates

Ferguson, G.; Gallagher, J. F.; Vogt, W.; Phillips, J.; Williams, G. J. B. 4-Methyl-2,6-bis(phosphonomethyl)phenol dihydrate Acta Crystallographica Section C 49(5) (1993) 1024-1026

176,435

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/17/2001743.cif $ #-------------------------------------------------------------------...

7,106,549

7.334

0.0016

15.551

0.003

10.017

0.002

90

null

91.958

0.005

90

null

1,141.8

0.4

133

2

133

2

null

4

P 1 21/n 1

-P 2yn

14

- C14 H8 F6 Fe -

- C56 H32 F24 Fe4 -

4

1

Max Roemer; Dieter Lentz

Autocatalytic Formation of Fluorinated Ferrocenophanes from 1,1'-Bis(trifluorovinyl)ferrocene

Chem. Commun.

2,011

47

7239

10.1039/c1cc11812a

0.71073

MoKα

0.0541

0.0387

null

0.0864

0.0938

null

1.099

null

has coordinates

Max Roemer; Dieter Lentz Autocatalytic Formation of Fluorinated Ferrocenophanes from 1,1'-Bis(trifluorovinyl)ferrocene Chem. Commun. 47 (2011) 7239

180,169

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-26 03:07:40 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180169 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/10/65/7106549.cif $ #-------------------------------------------------------------------...

2,001,744

17.721

0.004

10.062

0.002

17.284

0.003

90

null

93.19

0.02

90

null

3,077.1

1.1

153

1

153

1

null

4

P 1 21/c 1

-P 2ybc

14

8,8-Bis(2,4,6-tris(trifluoromethyl)thiophenolat) -3,5-trifluoromethyl-7-thia-benzocyclobutene

- C27 H6 F24 S3 -

- C108 H24 F96 S12 -

4

1

SH1032

Pohl, E.; Herbst-Irmer, R.; Sheldrick, G. M.

Structure of 4,6-bis(trifluoromethyl)-2,2-bis[2,4,6-tris(trifluoromethyl)phenylthio]-1-thiabenzocyclobutene

Acta Crystallographica Section C

1,993

49

5

1026

1028

10.1107/S0108270192012526

0.71073

MoKα

0.0602

0.0465

null

0.1254

0.1061

null

1.067

1.061

null

has coordinates,has disorder

Pohl, E.; Herbst-Irmer, R.; Sheldrick, G. M. Structure of 4,6-bis(trifluoromethyl)-2,2-bis[2,4,6-tris(trifluoromethyl)phenylthio]-1-thiabenzocyclobutene Acta Crystallographica Section C 49(5) (1993) 1026-1028

301,791

2025-08-18

23:15:00

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2,001,745

9.028

0.001

11.069

0.002

23.465

0.002

90

null

102.12

0.01

90

null

2,292.6

0.5

294

1

null

5

P 1 21 1

P 2yb

4

- C22.5 H24 Br Cl O6 -

- C90 H96 Br4 Cl4 O24 -

4

2

HU1024

Clark, G. R.

Structure of a bromine derivative of isostegane

Acta Crystallographica Section C

1,993

49

5

1028

1031

10.1107/S0108270192012654

0.71069

Mo

null

0.063

null

0.067

null

3.06

null

has coordinates

Clark, G. R. Structure of a bromine derivative of isostegane Acta Crystallographica Section C 49(5) (1993) 1028-1031

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/17/2001745.cif $ #-------------------------------------------------------------------...

2,001,746

5.769

0.003

8.793

0.003

15.695

0.006

90

null

90

null

90

null

796.2

0.6

193

null

193

null

4

P 21 21 21

P 2ac 2ab

19

2-(2'-Thienyl)pyridine

- C9 H7 N S -

- C36 H28 N4 S4 -

4

1

ST1039

Ghosh, R.; Simonsen, S. H.

Structure of 2-(2'-thienyl)pyridine at 193 K

Acta Crystallographica Section C

1,993

49

5

1031

1032

10.1107/S0108270192011867

0.71073

MoKα

0.0381

0.0349

null

0.0509

0.0499

null

1.9195

1.9613

null

has coordinates

Ghosh, R.; Simonsen, S. H. Structure of 2-(2'-thienyl)pyridine at 193 K Acta Crystallographica Section C 49(5) (1993) 1031-1032

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/17/2001746.cif $ #-------------------------------------------------------------------...

2,001,747

7.059

0.001

7.436

0.002

24.572

0.007

86.25

0.02

88.85

0.02

88.62

0.02

1,286.4

0.5

298

null

4

P -1

-P 1

2

- C24 H45 N O4 -

- C48 H90 N2 O8 -

2

1

HL1018

Koh, L. L.; Xu, Y.; Gan, L. M.; Chew, C. H.; Lee, K. C.

Structures of tetradecyltrimethylammonium salicylate monohydrate (1) and hexadecyltrimethylammonium salicylate monohydrate (2)

Acta Crystallographica Section C

1,993

49

5

1032

1035

10.1107/S0108270192012988

0.71073

MoKα

null

0.042

null

0.061

null

0.77

null

has coordinates

Koh, L. L.; Xu, Y.; Gan, L. M.; Chew, C. H.; Lee, K. C. Structures of tetradecyltrimethylammonium salicylate monohydrate (1) and hexadecyltrimethylammonium salicylate monohydrate (2) Acta Crystallographica Section C 49(5) (1993) 1032-1035

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/17/2001747.cif $ #-------------------------------------------------------------------...

2,001,748

7.055

0.001

7.45

0.001

26.389

0.007

93.29

0.03

92.92

0.02

93.35

0.02

1,380.3

0.5

298

null

4

P -1

-P 1

2

- C26 H49 N O4 -

- C52 H98 N2 O8 -

2

1

HL1018

Koh, L. L.; Xu, Y.; Gan, L. M.; Chew, C. H.; Lee, K. C.

Structures of tetradecyltrimethylammonium salicylate monohydrate (1) and hexadecyltrimethylammonium salicylate monohydrate (2)

Acta Crystallographica Section C

1,993

49

5

1032

1035

10.1107/S0108270192012988

0.71073

MoKα

null

0.059

null

0.067

null

1.6

null

has coordinates

Koh, L. L.; Xu, Y.; Gan, L. M.; Chew, C. H.; Lee, K. C. Structures of tetradecyltrimethylammonium salicylate monohydrate (1) and hexadecyltrimethylammonium salicylate monohydrate (2) Acta Crystallographica Section C 49(5) (1993) 1032-1035

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/17/2001748.cif $ #-------------------------------------------------------------------...

7,106,548

9.1245

0.0005

10.4518

0.0005

24.8224

0.0011

90

null

90

null

90

null

2,367.2

0.2

123

2

123

2

null

4

P b c a

-P 2ac 2ab

61

5H-Dibenz(b,f)azepine-5-carboxamide

- C15 H12 N2 O -

- C120 H96 N16 O8 -

8

1

Jean-Baptiste Arlin; Louise S. Price; Sarah L. Price; Alastair J. Florence

A strategy for producing predicted polymorphs: catemeric carbamazepine form V

Chem.Commun.

2,011

47

7074

10.1039/c1cc11634g

1.5418

CuKα

0.0872

0.045

null

0.0924

0.1018

null

0.824

null

has coordinates

Jean-Baptiste Arlin; Louise S. Price; Sarah L. Price; Alastair J. Florence A strategy for producing predicted polymorphs: catemeric carbamazepine form V Chem.Commun. 47 (2011) 7074

301,853

2025-08-21

21:50:04

#------------------------------------------------------------------------------ #$Date: 2025-08-22 00:26:11 +0300 (Fri, 22 Aug 2025) $ #$Revision: 301853 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/10/65/7106548.cif $ #-------------------------------------------------------------------...

2,001,749

13.885

0.002

5.8864

0.0006

21.624

0.002

90

null

93.25

0.008

90

null

1,764.5

0.4

null

6

I 1 2/a 1

-I 2ya

null

- C6 H8 Cd Cl O3 P -

- C48 H64 Cd8 Cl8 O24 P8 -

8

1

HH1056

Du, J.-L.; Rettig, S. J.; Thompson, R. C.; Trotter, J.

Structure of a polymeric cadmium complex containing triply bridging monophenylphosphinate ligands

Acta Crystallographica Section C

1,993

49

5

1035

1036

10.1107/S0108270193001234

0.71073

Mo

null

has coordinates

Du, J.-L.; Rettig, S. J.; Thompson, R. C.; Trotter, J. Structure of a polymeric cadmium complex containing triply bridging monophenylphosphinate ligands Acta Crystallographica Section C 49(5) (1993) 1035-1036

176,435

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/17/2001749.cif $ #-------------------------------------------------------------------...

2,001,750

13.576

0.004

9.077

0.004

5.543

0.003

90

0.02

91.47

0.01

90

0.01

682.8

0.5

null

4

P 1 21/a 1

-P 2yab

null

- B5 H2 Li O9 -

- B20 H8 Li4 O36 -

4

1

MU0290

Cárdenas, A.; Solans, J.; Byrappa, K.; Shekar, K. V. K.

Structure of lithium catena-poly[3,4-dihydroxopentaborate-1:5-μ-oxo]

Acta Crystallographica Section C

1,993

49

4

645

647

10.1107/S0108270192008217

0.7107

Mo

null

has coordinates

Cárdenas, A.; Solans, J.; Byrappa, K.; Shekar, K. V. K. Structure of lithium catena-poly[3,4-dihydroxopentaborate-1:5-μ-oxo] Acta Crystallographica Section C 49(4) (1993) 645-647

176,435

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/17/2001750.cif $ #-------------------------------------------------------------------...

2,001,751

5.167

0.002

3.756

0.002

17.16

0.002

90

null

98.12

0.02

90

null

329.7

0.2

null

4

P 1 21/n 1

-P 2yn

14

- B2 Be Ca O5 -

- B8 Be4 Ca4 O20 -

4

1

ST0579

Schaffers, K. I.; Keszler, D. A.

Alkaline-earth beryllium borate CaBeB~2~O~5~

Acta Crystallographica Section C

1,993

49

4

647

650

10.1107/S0108270192006371

0.71069

Mo

null

has coordinates

Schaffers, K. I.; Keszler, D. A. Alkaline-earth beryllium borate CaBeB~2~O~5~ Acta Crystallographica Section C 49(4) (1993) 647-650

278,324

2022-10-03

14:41:53

#------------------------------------------------------------------------------ #$Date: 2022-10-03 17:40:12 +0300 (Mon, 03 Oct 2022) $ #$Revision: 278324 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/17/2001751.cif $ #-------------------------------------------------------------------...

2,001,752

6.0126

0.0002

6.2138

0.0002

8.6139

0.0003

90

null

90.239

0.002

90

null

321.822

0.019

null

3

P 1 21/n 1

-P 2yn

14

- O6 Sr3 U -

- O12 Sr6 U2 -

2

0.5

MU0289

IJdo, D. J. W.

Redetermination of tristrontium uranate(VI). A Rietveld refinement of neutron powder diffraction data

Acta Crystallographica Section C

1,993

49

4

650

652

10.1107/S0108270192010849

neutron

2.57155

Neutron

null

has coordinates

IJdo, D. J. W. Redetermination of tristrontium uranate(VI). A Rietveld refinement of neutron powder diffraction data Acta Crystallographica Section C 49(4) (1993) 650-652

278,324

2022-10-03

14:41:53

#------------------------------------------------------------------------------ #$Date: 2022-10-03 17:40:12 +0300 (Mon, 03 Oct 2022) $ #$Revision: 278324 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/17/2001752.cif $ #-------------------------------------------------------------------...

2,001,753

8.4562

0.0001

8.4562

0.0001

17.0002

0.0004

90

null

90

null

90

null

1,215.64

0.04

null

4

I 4/m m m

null

- Ba2 Ce O6 Sb -

- Ba2 Ce0.75 O6 Sb -

- Ba16 Ce6 O48 Sb8 -

8

0.25

MU0294

IJdo, D. J. W.; Helmholdt, R. B.

Ba~2~Ce~3/4~SbO~6~, a Rietveld refinement of neutron powder diffraction data

Acta Crystallographica Section C

1,993

49

4

652

654

10.1107/S0108270192010850

neutron

2.5717

neutron

null

has coordinates

IJdo, D. J. W.; Helmholdt, R. B. Ba~2~Ce~3/4~SbO~6~, a Rietveld refinement of neutron powder diffraction data Acta Crystallographica Section C 49(4) (1993) 652-654

176,435

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/17/2001753.cif $ #-------------------------------------------------------------------...

7,106,547

7.1258

0.0002

14.8941

0.0005

13.4114

0.0005

90

null

92.103

0.002

90

null

1,422.43

0.08

200

2

200

2

null

5

P 1 21/c 1

-P 2ybc

14

- C14 H15 N3 O3 S -

- C56 H60 N12 O12 S4 -

4

1

Norman Lu; Wei-Hsuan Chang; Wen-Han Tu; Chieh-Keng Li

A salt made of 4-N,N-dimethylaminopyridine (DMAP) and saccharin as an efficient recyclable acylation catalyst: a new bridge between heterogeneous and homogeneous catalysis

Chem.Commun.

2,011

47

7227

10.1039/c1cc11556a

0.71073

MoKα

0.1

0.0924

null

0.2651

0.2724

null

1.181

null

has coordinates

Norman Lu; Wei-Hsuan Chang; Wen-Han Tu; Chieh-Keng Li A salt made of 4-N,N-dimethylaminopyridine (DMAP) and saccharin as an efficient recyclable acylation catalyst: a new bridge between heterogeneous and homogeneous catalysis Chem.Commun. 47 (2011) 7227

301,853

2025-08-21

21:50:04

#------------------------------------------------------------------------------ #$Date: 2025-08-22 00:26:11 +0300 (Fri, 22 Aug 2025) $ #$Revision: 301853 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/10/65/7106547.cif $ #-------------------------------------------------------------------...

2,001,754

28.459

0.001

8.379

0.0003

6.765

0.0003

90

null

90

null

90

null

1,613.17

0.11

null

3

P m m n :1

P 2 2ab -1ab

59

- O36 Pb3 U11 -

- O64 Pb8 U24 -

- O128 Pb16 U48 -

2

0.25

MU1002

IJdo, D. J. W.

Pb~3~U~11~O~36~, a Rietveld refinement of neutron powder diffraction data

Acta Crystallographica Section C

1,993

49

4

654

656

10.1107/S0108270192010874

2.57

null

has coordinates

IJdo, D. J. W. Pb~3~U~11~O~36~, a Rietveld refinement of neutron powder diffraction data Acta Crystallographica Section C 49(4) (1993) 654-656

176,343

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-11 02:03:02 +0200 (Thu, 11 Feb 2016) $ #$Revision: 176343 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/17/2001754.cif $ #-------------------------------------------------------------------...

2,001,755

8.654

0.0003

8.6481

0.0003

12.2336

0.0005

90

null

90

null

90

null

915.57

0.06

null

4

P c a 21

P 2c -2ac

null

- B7 Fe3 I O13 -

- B28 Fe12 I4 O52 -

4

1

SH0017

Kubel, F.; Janner, A.-M.

Structure of the fully ferroelectric/fully ferroelastic orthorhombic room-temperature phase of iron iodine boracite, Fe~3~B~7~O~13~I

Acta Crystallographica Section C

1,993

49

4

657

659

10.1107/S0108270192010643

0.7107

Mo

null

has coordinates

Kubel, F.; Janner, A.-M. Structure of the fully ferroelectric/fully ferroelastic orthorhombic room-temperature phase of iron iodine boracite, Fe~3~B~7~O~13~I Acta Crystallographica Section C 49(4) (1993) 657-659

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/17/2001755.cif $ #-------------------------------------------------------------------...

2,001,756

13.45

0.003

13.398

0.005

13.357

0.004

90

null

99.92

0.01

90

null

2,371

1.3

null

3

P 1 21/c 1

-P 2ybc

null

- Ce16 Mo21 O56 -

- Ce32 Mo42 O112 -

2

0.5

DU1018

Gall, P.; Gougeon, P.

Structure of Ce~16~Mo~21~O~56~ containing single Mo atoms and isolated Mo~10~ clusters

Acta Crystallographica Section C

1,993

49

4

659

663

10.1107/S0108270192011533

0.71073

Mo

null

has coordinates

Gall, P.; Gougeon, P. Structure of Ce~16~Mo~21~O~56~ containing single Mo atoms and isolated Mo~10~ clusters Acta Crystallographica Section C 49(4) (1993) 659-663

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/17/2001756.cif $ #-------------------------------------------------------------------...

2,001,757

11.085

0.001

15.647

0.001

15.167

0.002

90

null

109.94

0.01

90

null

2,473

0.5

null

6

P 1 21/n 1

-P 2yn

14

- C10 H30 Cl4 O5 Ru2 S5 -

- C40 H120 Cl16 O20 Ru8 S20 -

4

1

NA1015

Calligaris, M.; Faleschini, P.; Alessio, E.

Structure of [Ru~2~Cl~4~(Me~2~SO)~5~]

Acta Crystallographica Section C

1,993

49

4

663

666

10.1107/S0108270192011557

0.71073

Mo

null

has coordinates

Calligaris, M.; Faleschini, P.; Alessio, E. Structure of [Ru~2~Cl~4~(Me~2~SO)~5~] Acta Crystallographica Section C 49(4) (1993) 663-666

278,324

2022-10-03

14:41:53

#------------------------------------------------------------------------------ #$Date: 2022-10-03 17:40:12 +0300 (Mon, 03 Oct 2022) $ #$Revision: 278324 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/17/2001757.cif $ #-------------------------------------------------------------------...

2,001,758

7.161

0.003

18.945

0.003

13.949

0.004

90

null

103.47

0.01

90

null

1,840.3

1

null

6

P 1 21/c 1

-P 2ybc

null

- C13 H23 Cl N4 Ni O6 -

- C13 H23 Cl N4 Ni O9 -

- C52 H92 Cl4 N16 Ni4 O36 -

4

1

AS1016

Lu, T.-H.; Tseng, F.; Luh, H.; Chung, C.-S.

Structure of a nickel(II) complex of the deprotonated anion of 3,6,6,9-tetramethyl-4,8-diaza-3,8-undecadiene-2,10-dione dioxime

Acta Crystallographica Section C

1,993

49

4

666

668

10.1107/S0108270192009880

0.7093

Mo

null

has coordinates

Lu, T.-H.; Tseng, F.; Luh, H.; Chung, C.-S. Structure of a nickel(II) complex of the deprotonated anion of 3,6,6,9-tetramethyl-4,8-diaza-3,8-undecadiene-2,10-dione dioxime Acta Crystallographica Section C 49(4) (1993) 666-668

176,435

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/17/2001758.cif $ #-------------------------------------------------------------------...

7,106,546

9.3996

0.0006

12.772

0.0009

23.7627

0.0016

90

null

90

null

90

null

2,852.8

0.3

571

2

571

2

null

4

P 21 21 21

P 2ac 2ab

19

- C31 H27 N5 O6 -

- C31 H29 N5 O6 -

- C124 H116 N20 O24 -

4

1

Christophe Lincheneau; Joseph P. Leonard; Thomas McCabe; Thorfinnur Gunnlaugsson

Lanthanide directed self-assembly formations of Tb(III) and Eu(III) luminescent complexes from tryptophan based pyridyl amide ligands

Chem.Commun.

2,011

47

7119

10.1039/c1cc11326g

0.71073

MoKα

0.0621

0.0417

null

0.0865

0.1071

null

0.945

null

has coordinates

Christophe Lincheneau; Joseph P. Leonard; Thomas McCabe; Thorfinnur Gunnlaugsson Lanthanide directed self-assembly formations of Tb(III) and Eu(III) luminescent complexes from tryptophan based pyridyl amide ligands Chem.Commun. 47 (2011) 7119

202,017

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-10-14 22:27:35 +0300 (Sat, 14 Oct 2017) $ #$Revision: 202017 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/10/65/7106546.cif $ #-------------------------------------------------------------------...

2,001,759

10.131

0.001

6.1431

0.0008

26.081

0.005

90

null

98.01

0.01

90

null

1,607.3

0.4

null

5

P 1 21/n 1

-P 2yn

14

- C10 H24 Cl4 N2 Ni -

- C40 H96 Cl16 N8 Ni4 -

4

1

ST0567

Bond, M. R.; Willett, R. D.

Structure of dipiperidinium catena-poly[nickel-tri-μ-chloro(1–)] chloride

Acta Crystallographica Section C

1,993

49

4

668

671

10.1107/S0108270192008837

1.54184

Cu

null

has coordinates,has disorder

Bond, M. R.; Willett, R. D. Structure of dipiperidinium catena-poly[nickel-tri-μ-chloro(1–)] chloride Acta Crystallographica Section C 49(4) (1993) 668-671

278,324

2022-10-03

14:41:53

#------------------------------------------------------------------------------ #$Date: 2022-10-03 17:40:12 +0300 (Mon, 03 Oct 2022) $ #$Revision: 278324 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/17/2001759.cif $ #-------------------------------------------------------------------...

2,001,760

9.344

0.003

19.17

0.05

12.604

0.004

90

null

90.13

0.02

90

null

2,258

6

null

6

P 1 21/c 1

-P 2ybc

14

- C22 H15 I O4 P Re -

- C88 H60 I4 O16 P4 Re4 -

4

1

HU0414

Ingham, W. L.; Billing, D. G.; Levendis, D. C.; Coville, N. J.

Structure of trans-[Re(CO)~4~(PPh~3~)I]

Acta Crystallographica Section C

1,993

49

4

671

674

10.1107/S010827019200934X

0.71073

Mo

null

has coordinates

Ingham, W. L.; Billing, D. G.; Levendis, D. C.; Coville, N. J. Structure of trans-[Re(CO)~4~(PPh~3~)I] Acta Crystallographica Section C 49(4) (1993) 671-674

208,377

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2018-06-14 15:53:24 +0300 (Thu, 14 Jun 2018) $ #$Revision: 208377 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/17/2001760.cif $ #-------------------------------------------------------------------...

2,001,761

11.01

0.003

10.791

0.003

8.356

0.002

83.56

0.02

86.11

0.02

64.67

0.02

891.4

0.4

null

6

P -1

-P 1

2

- C17 H14 Cl Cu N3 O6 -

- C17 H15 Cl Cu N3 O6 -

- C34 H30 Cl2 Cu2 N6 O12 -

2

1

AL0532

Muñoz, M. C.; Ruiz, R.; Julve, M.; Lloret, F.; Solans, X.

Synthesis and structure of (acetato-O,O')(perchlorato-O)(2,2':6'2''-terpyridine-N,N',N'')copper(II)

Acta Crystallographica Section C

1,993

49

4

674

677

10.1107/S0108270192004505

0.71069

Mo

null

has coordinates

Muñoz, M. C.; Ruiz, R.; Julve, M.; Lloret, F.; Solans, X. Synthesis and structure of (acetato-O,O')(perchlorato-O)(2,2':6'2''-terpyridine-N,N',N'')copper(II) Acta Crystallographica Section C 49(4) (1993) 674-677

278,247

2022-09-28

15:09:31

#------------------------------------------------------------------------------ #$Date: 2022-09-28 18:08:17 +0300 (Wed, 28 Sep 2022) $ #$Revision: 278247 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/17/2001761.cif $ #-------------------------------------------------------------------...

2,001,762

11.301

0.004

11.301

0.004

11.301

0.004

52.93

0.03

52.93

0.03

52.93

0.03

851.4

0.7

null

4

R -3

-P 3*

null

- C26 H54 O6 W2 -

- C26 O6 W2 -

1

null

CR0421

Gilbert, T. M.; Rogers, R. D.

Structure of [W~2~(μ-C~2~){OC(CH~3~)~3~}~6~]: a dimetallabutadiyne

Acta Crystallographica Section C

1,993

49

4

677

680

10.1107/S0108270192010813

0.71073

Mo

null

has coordinates

Gilbert, T. M.; Rogers, R. D. Structure of [W~2~(μ-C~2~){OC(CH~3~)~3~}~6~]: a dimetallabutadiyne Acta Crystallographica Section C 49(4) (1993) 677-680

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/17/2001762.cif $ #-------------------------------------------------------------------...

2,001,763

8.344

0.001

9.387

0.001

12.527

0.002

97.27

0.01

101.18

0.01

110.79

0.01

879.2

0.2

null

4

P -1

-P 1

2

- C22 H19 Fe P -

- C44 H38 Fe2 P2 -

2

1

AS1023

Adeleke, J. A.; Liu, L.-K.

Diphenylphosphinoferrocene

Acta Crystallographica Section C

1,993

49

4

680

682

10.1107/S0108270192010436

0.71069

Mo

null

has coordinates

Adeleke, J. A.; Liu, L.-K. Diphenylphosphinoferrocene Acta Crystallographica Section C 49(4) (1993) 680-682

278,247

2022-09-28

15:09:31

#------------------------------------------------------------------------------ #$Date: 2022-09-28 18:08:17 +0300 (Wed, 28 Sep 2022) $ #$Revision: 278247 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/17/2001763.cif $ #-------------------------------------------------------------------...

7,106,545

9.3915

0.0006

12.773

0.0008

23.7777

0.0015

90

null

90

null

90

null

2,852.3

0.3

571

2

571

2

null

4

P 21 21 21

P 2ac 2ab

19

- C31 H29 N5 O6 -

- C124 H116 N20 O24 -

4

1

Christophe Lincheneau; Joseph P. Leonard; Thomas McCabe; Thorfinnur Gunnlaugsson

Lanthanide directed self-assembly formations of Tb(III) and Eu(III) luminescent complexes from tryptophan based pyridyl amide ligands

Chem.Commun.

2,011

47

7119

10.1039/c1cc11326g

0.71073

MoKα

0.0727

0.0361

null

0.0596

0.0651

null

0.774

null

has coordinates

Christophe Lincheneau; Joseph P. Leonard; Thomas McCabe; Thorfinnur Gunnlaugsson Lanthanide directed self-assembly formations of Tb(III) and Eu(III) luminescent complexes from tryptophan based pyridyl amide ligands Chem.Commun. 47 (2011) 7119

301,853

2025-08-21

21:50:04

#------------------------------------------------------------------------------ #$Date: 2025-08-22 00:26:11 +0300 (Fri, 22 Aug 2025) $ #$Revision: 301853 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/10/65/7106545.cif $ #-------------------------------------------------------------------...

2,001,764

9.972

0.001

8.308

0.001

17.01

0.002

90

null

97.371

0.004

90

null

1,397.6

0.3

null

4

P 1 21/a 1

-P 2yab

null

- C16 H15 Fe N3 -

- C64 H60 Fe4 N12 -

4

1

HU1007

Houlton, A.; Ahmet, M. T.; Miller, J. R.; Silver, J.; Slade, E.

Structure of the 2-pyridylhydrazone of ferrocenecarbaldehyde

Acta Crystallographica Section C

1,993

49

4

682

684

10.1107/S0108270192009363

0.71069

Mo

null

has coordinates

Houlton, A.; Ahmet, M. T.; Miller, J. R.; Silver, J.; Slade, E. Structure of the 2-pyridylhydrazone of ferrocenecarbaldehyde Acta Crystallographica Section C 49(4) (1993) 682-684

176,435

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/17/2001764.cif $ #-------------------------------------------------------------------...

2,001,765

10.59

0.007

17.606

0.006

8.493

0.003

90.1

0.03

102.22

0.05

106.85

0.04

1,477.8

1.3

null

7

P -1

-P 1

2

- C21 H30 Cl5 N O3 Pt Te2 -

- C21 H28 Cl5 N O3 Pt Te2 -

- C42 H56 Cl10 N2 O6 Pt2 Te4 -

2

1

BR1001

Drake, J. E.; Bailey, J. H. E.; Singh, A. K.; Srivastava, V.

{Bis[2-(4-ethoxyphenyltelluro)ethyl]amino-N,Te,Te'}chloroplatinum(II) chloride trichloromethane monohydrate

Acta Crystallographica Section C

1,993

49

4

684

687

10.1107/S0108270192005961

0.71069

Mo

null

has coordinates

Drake, J. E.; Bailey, J. H. E.; Singh, A. K.; Srivastava, V. {Bis[2-(4-ethoxyphenyltelluro)ethyl]amino-N,Te,Te'}chloroplatinum(II) chloride trichloromethane monohydrate Acta Crystallographica Section C 49(4) (1993) 684-687

278,247

2022-09-28

15:09:31

#------------------------------------------------------------------------------ #$Date: 2022-09-28 18:08:17 +0300 (Wed, 28 Sep 2022) $ #$Revision: 278247 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/17/2001765.cif $ #-------------------------------------------------------------------...

2,001,766

11.463

0.003

18.641

0.006

15.762

0.005

90

null

103.42

0.02

90

null

3,276.1

1.7

null

4

P 1 21/n 1

-P 2yn

14

- C40 H35 Cl2 P -

- C160 H140 Cl8 P4 -

4

1

HU1004

Schumann, H.; Görlitz, F. H.; Schäfers, M.

Structure of dichloro(pentabenzylcyclopentadienyl)phosphine

Acta Crystallographica Section C

1,993

49

4

688

690

10.1107/S0108270192009351

0.71069

Mo

null

has coordinates

Schumann, H.; Görlitz, F. H.; Schäfers, M. Structure of dichloro(pentabenzylcyclopentadienyl)phosphine Acta Crystallographica Section C 49(4) (1993) 688-690

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/17/2001766.cif $ #-------------------------------------------------------------------...

2,001,767

10.542

0.002

6.411

0.001

13.105

0.004

90

null

106.47

0.02

90

null

849.4

0.3

null

5

P 1 21/n 1

-P 2yn

14

- C7 H6 B N O6 -

- C28 H24 B4 N4 O24 -

4

1

ST0552

Soundararajan, S.; Duesler, E. N.; Hageman, J. H.

Structure of 4-carboxy-2-nitrobenzeneboronic acid

Acta Crystallographica Section C

1,993

49

4

690

693

10.1107/S0108270192010916

0.71069

Mo

null

has coordinates

Soundararajan, S.; Duesler, E. N.; Hageman, J. H. Structure of 4-carboxy-2-nitrobenzeneboronic acid Acta Crystallographica Section C 49(4) (1993) 690-693

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/17/2001767.cif $ #-------------------------------------------------------------------...

7,106,544

21.4062

0.0018

15.2138

0.0013

26.813

0.004

90

null

112.016

0.005

90

null

8,095.4

1.6

100

2

100

2

null

4

C 1 2/c 1

-C 2yc

15

- C94 H104 N10 O8 -

- C376 H416 N40 O32 -

4

0.5

Jung-Jae Lee; Jeffrey M. Baumes; Richard D. Connell; Allen G. Oliver; Bradley D. Smith

Squaraine [2]Catenanes: synthesis, structure and molecular dynamics

Chem.Commun.

2,011

47

7188

10.1039/c1cc10946d

0.71073

MoKα

0.1565

0.0758

null

0.1827

0.2262

null

1.023

null

has coordinates,has disorder

Jung-Jae Lee; Jeffrey M. Baumes; Richard D. Connell; Allen G. Oliver; Bradley D. Smith Squaraine [2]Catenanes: synthesis, structure and molecular dynamics Chem.Commun. 47 (2011) 7188

180,169

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-26 03:07:40 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180169 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/10/65/7106544.cif $ #-------------------------------------------------------------------...

2,001,768

6.9559

0.0004

9.913

0.0006

7.3045

0.0004

90

null

119.41

0.04

90

null

438.76

0.18

null

4

P 1 21/n 1

-P 2yn

14

- C3 H3 N3 O2 -

- C12 H12 N12 O8 -

4

1

HH1003

De Bondt, H. L.; Ragia, E.; Blaton, N. M.; Peeters, O. M.; De Ranter, C. J.

Structure of 4(5)-nitroimidazole at 100 K

Acta Crystallographica Section C

1,993

49

4

693

695

10.1107/S0108270192011326

0.71069

Mo

null

has coordinates

De Bondt, H. L.; Ragia, E.; Blaton, N. M.; Peeters, O. M.; De Ranter, C. J. Structure of 4(5)-nitroimidazole at 100 K Acta Crystallographica Section C 49(4) (1993) 693-695

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/17/2001768.cif $ #-------------------------------------------------------------------...

2,001,769

14.86

0.005

4.85

0.002

8.221

0.004

90

null

105.58

0.04

90

null

570.7

0.4

null

4

P 1 21/c 1

-P 2ybc

14

- C2 H5 O6 P -

- C8 H20 O24 P4 -

4

1

MU1010

Lis, T.

Structure of phosphoglycolate (PG) in different ionization states. Structure of phosphoglycolic acid (H~3~PG) and its salts: KH~2~PG, NaH~2~PG, K~3~H~3~(PG)~2~, Na~2~HPG.0.5H~2~O, Na~5~H(PG)~2~.4H~2~O and Na~3~PG.4H~2~O

Acta Crystallographica Section C

1,993

49

4

696

705

10.1107/S0108270192010758

0.71069

Mo

null

has coordinates

Lis, T. Structure of phosphoglycolate (PG) in different ionization states. Structure of phosphoglycolic acid (H~3~PG) and its salts: KH~2~PG, NaH~2~PG, K~3~H~3~(PG)~2~, Na~2~HPG.0.5H~2~O, Na~5~H(PG)~2~.4H~2~O and Na~3~PG.4H~2~O Acta Crystallographica Section C 49(4) (1993) 696-705

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/17/2001769.cif $ #-------------------------------------------------------------------...

2,001,770

10.57

0.006

4.588

0.003

7.935

0.004

90

null

126.92

0.04

90

null

307.6

0.3

null

5

P 1 21 1

P 2yb

4

- C2 H4 K O6 P -

- C4 H8 K2 O12 P2 -

2

1

MU1010

Lis, T.

Structure of phosphoglycolate (PG) in different ionization states. Structure of phosphoglycolic acid (H~3~PG) and its salts: KH~2~PG, NaH~2~PG, K~3~H~3~(PG)~2~, Na~2~HPG.0.5H~2~O, Na~5~H(PG)~2~.4H~2~O and Na~3~PG.4H~2~O

Acta Crystallographica Section C

1,993

49

4

696

705

10.1107/S0108270192010758

0.71069

Mo

null

has coordinates

Lis, T. Structure of phosphoglycolate (PG) in different ionization states. Structure of phosphoglycolic acid (H~3~PG) and its salts: KH~2~PG, NaH~2~PG, K~3~H~3~(PG)~2~, Na~2~HPG.0.5H~2~O, Na~5~H(PG)~2~.4H~2~O and Na~3~PG.4H~2~O Acta Crystallographica Section C 49(4) (1993) 696-705

205,898

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2018-01-30 16:30:45 +0200 (Tue, 30 Jan 2018) $ #$Revision: 205898 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/17/2001770.cif $ #-------------------------------------------------------------------...

7,106,543

14.973

0.003

14.976

0.003

15.679

0.004

90

null

99.436

0.006

90

null

3,468.2

1.3

93

2

93

2

null

7

P 1 21/n 1

-P 2yn

14

- C34 H47 Cl2 N2 O3 P Ru -

- C136 H188 Cl8 N8 O12 P4 Ru4 -

4

1

Thibault E. Schmid; Xavier Bantreil; Cecilia A. Citadelle; Alexandra M. Z. Slawin; Catherine S. J. Cazin

Phosphites as ligands in ruthenium-benzylidene catalysts for olefin metathesis

Chem.Commun.

2,011

47

7060

10.1039/c1cc10825e

0.71073

MoKα

0.0569

0.0461

null

0.1112

0.1196

null

1.053

null

has coordinates

Thibault E. Schmid; Xavier Bantreil; Cecilia A. Citadelle; Alexandra M. Z. Slawin; Catherine S. J. Cazin Phosphites as ligands in ruthenium-benzylidene catalysts for olefin metathesis Chem.Commun. 47 (2011) 7060

180,169

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-26 03:07:40 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180169 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/10/65/7106543.cif $ #-------------------------------------------------------------------...

2,001,771

9.782

0.006

5.366

0.003

11.175

0.009

90

null

91.39

0.06

90

null

586.4

0.7

null

5

P 1 2/n 1

-P 2yac

null

- C2 H4 Na O6 P -

- C8 H16 Na4 O24 P4 -

4

1

MU1010

Lis, T.

Structure of phosphoglycolate (PG) in different ionization states. Structure of phosphoglycolic acid (H~3~PG) and its salts: KH~2~PG, NaH~2~PG, K~3~H~3~(PG)~2~, Na~2~HPG.0.5H~2~O, Na~5~H(PG)~2~.4H~2~O and Na~3~PG.4H~2~O

Acta Crystallographica Section C

1,993

49

4

696

705

10.1107/S0108270192010758

0.71069

Mo

null

has coordinates

Lis, T. Structure of phosphoglycolate (PG) in different ionization states. Structure of phosphoglycolic acid (H~3~PG) and its salts: KH~2~PG, NaH~2~PG, K~3~H~3~(PG)~2~, Na~2~HPG.0.5H~2~O, Na~5~H(PG)~2~.4H~2~O and Na~3~PG.4H~2~O Acta Crystallographica Section C 49(4) (1993) 696-705

176,435

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/17/2001771.cif $ #-------------------------------------------------------------------...

2,001,772

8.643

0.006

9.013

0.007

9.907

0.007

113.97

0.06

95.41

0.06

95.01

0.06

695.3

1

null

5

P -1

-P 1

2

- C4 H7 K3 O12 P2 -

- C8 H14 K6 O24 P4 -

2

1

MU1010

Lis, T.

Structure of phosphoglycolate (PG) in different ionization states. Structure of phosphoglycolic acid (H~3~PG) and its salts: KH~2~PG, NaH~2~PG, K~3~H~3~(PG)~2~, Na~2~HPG.0.5H~2~O, Na~5~H(PG)~2~.4H~2~O and Na~3~PG.4H~2~O

Acta Crystallographica Section C

1,993

49

4

696

705

10.1107/S0108270192010758

0.71069

Mo

null

has coordinates

Lis, T. Structure of phosphoglycolate (PG) in different ionization states. Structure of phosphoglycolic acid (H~3~PG) and its salts: KH~2~PG, NaH~2~PG, K~3~H~3~(PG)~2~, Na~2~HPG.0.5H~2~O, Na~5~H(PG)~2~.4H~2~O and Na~3~PG.4H~2~O Acta Crystallographica Section C 49(4) (1993) 696-705

278,247

2022-09-28

15:09:31

#------------------------------------------------------------------------------ #$Date: 2022-09-28 18:08:17 +0300 (Wed, 28 Sep 2022) $ #$Revision: 278247 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/17/2001772.cif $ #-------------------------------------------------------------------...

2,001,773

10.52

0.006

13.442

0.006

8.996

0.005

90

null

90

null

90

null

1,272.1

1.2

null

5

P 21 21 2

P 2 2ab

null

- C2 H4 Na2 O7 P -

- C2 H4 Na2 O6.5 P -

- C16 H32 Na16 O52 P8 -

8

2

MU1010

Lis, T.

Structure of phosphoglycolate (PG) in different ionization states. Structure of phosphoglycolic acid (H~3~PG) and its salts: KH~2~PG, NaH~2~PG, K~3~H~3~(PG)~2~, Na~2~HPG.0.5H~2~O, Na~5~H(PG)~2~.4H~2~O and Na~3~PG.4H~2~O

Acta Crystallographica Section C

1,993

49

4

696

705

10.1107/S0108270192010758

0.71069

Mo

null

has coordinates

Lis, T. Structure of phosphoglycolate (PG) in different ionization states. Structure of phosphoglycolic acid (H~3~PG) and its salts: KH~2~PG, NaH~2~PG, K~3~H~3~(PG)~2~, Na~2~HPG.0.5H~2~O, Na~5~H(PG)~2~.4H~2~O and Na~3~PG.4H~2~O Acta Crystallographica Section C 49(4) (1993) 696-705

176,435

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/17/2001773.cif $ #-------------------------------------------------------------------...

7,106,542

10.851

0.003

12.613

0.003

14.996

0.003

90.595

0.002

104.238

0.004

106.35

0.004

1,901.9

0.8

93

2

93

2

null

7

P -1

-P 1

2

- C37 H53 Cl2 N2 O3 P Ru -

- C74 H106 Cl4 N4 O6 P2 Ru2 -

2

1

Thibault E. Schmid; Xavier Bantreil; Cecilia A. Citadelle; Alexandra M. Z. Slawin; Catherine S. J. Cazin

Phosphites as ligands in ruthenium-benzylidene catalysts for olefin metathesis

Chem.Commun.

2,011

47

7060

10.1039/c1cc10825e

0.71073

MoKα

0.0572

0.0527

null

0.1606

0.1674

null

1.098

null

has coordinates

Thibault E. Schmid; Xavier Bantreil; Cecilia A. Citadelle; Alexandra M. Z. Slawin; Catherine S. J. Cazin Phosphites as ligands in ruthenium-benzylidene catalysts for olefin metathesis Chem.Commun. 47 (2011) 7060

180,169

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-26 03:07:40 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180169 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/10/65/7106542.cif $ #-------------------------------------------------------------------...

2,001,774

6.96

0.004

17.793

0.012

13.151

0.009

90

null

96.88

0.05

90

null

1,616.9

1.8

null

5

C 1 2/c 1

-C 2yc

null

- C4 H13 Na5 O16 P2 -

- C16 H52 Na20 O64 P8 -

4

0.5

MU1010

Lis, T.

Structure of phosphoglycolate (PG) in different ionization states. Structure of phosphoglycolic acid (H~3~PG) and its salts: KH~2~PG, NaH~2~PG, K~3~H~3~(PG)~2~, Na~2~HPG.0.5H~2~O, Na~5~H(PG)~2~.4H~2~O and Na~3~PG.4H~2~O

Acta Crystallographica Section C

1,993

49

4

696

705

10.1107/S0108270192010758

0.71069

Mo

null

has coordinates

Lis, T. Structure of phosphoglycolate (PG) in different ionization states. Structure of phosphoglycolic acid (H~3~PG) and its salts: KH~2~PG, NaH~2~PG, K~3~H~3~(PG)~2~, Na~2~HPG.0.5H~2~O, Na~5~H(PG)~2~.4H~2~O and Na~3~PG.4H~2~O Acta Crystallographica Section C 49(4) (1993) 696-705

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/17/2001774.cif $ #-------------------------------------------------------------------...

2,001,775

10.617

0.009

6.977

0.008

27.65

0.02

90

null

90

null

90

null

2,048

3

null

5

P b c n

-P 2n 2ab

null

- C2 H10 Na3 O10 P -

- C2 H8 Na3 O11 P -

- C16 H64 Na24 O88 P8 -

8

1

MU1010

Lis, T.

Structure of phosphoglycolate (PG) in different ionization states. Structure of phosphoglycolic acid (H~3~PG) and its salts: KH~2~PG, NaH~2~PG, K~3~H~3~(PG)~2~, Na~2~HPG.0.5H~2~O, Na~5~H(PG)~2~.4H~2~O and Na~3~PG.4H~2~O

Acta Crystallographica Section C

1,993

49

4

696

705

10.1107/S0108270192010758

1.5618

Cu

null

has coordinates

Lis, T. Structure of phosphoglycolate (PG) in different ionization states. Structure of phosphoglycolic acid (H~3~PG) and its salts: KH~2~PG, NaH~2~PG, K~3~H~3~(PG)~2~, Na~2~HPG.0.5H~2~O, Na~5~H(PG)~2~.4H~2~O and Na~3~PG.4H~2~O Acta Crystallographica Section C 49(4) (1993) 696-705

176,435

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/17/2001775.cif $ #-------------------------------------------------------------------...

2,001,776

6.243

0.006

26.08

0.02

6.763

0.007

90

null

115.29

0.09

90

null

995.6

1.8

null

5

P 1 21/n 1

-P 2yn

14

- C2 H10 Na3 O10 P -

- C8 H40 Na12 O40 P4 -

4

1

MU1010

Lis, T.

Structure of phosphoglycolate (PG) in different ionization states. Structure of phosphoglycolic acid (H~3~PG) and its salts: KH~2~PG, NaH~2~PG, K~3~H~3~(PG)~2~, Na~2~HPG.0.5H~2~O, Na~5~H(PG)~2~.4H~2~O and Na~3~PG.4H~2~O

Acta Crystallographica Section C

1,993

49

4

696

705

10.1107/S0108270192010758

1.54118

Cu

null

has coordinates

Lis, T. Structure of phosphoglycolate (PG) in different ionization states. Structure of phosphoglycolic acid (H~3~PG) and its salts: KH~2~PG, NaH~2~PG, K~3~H~3~(PG)~2~, Na~2~HPG.0.5H~2~O, Na~5~H(PG)~2~.4H~2~O and Na~3~PG.4H~2~O Acta Crystallographica Section C 49(4) (1993) 696-705

278,324

2022-10-03

14:41:53

#------------------------------------------------------------------------------ #$Date: 2022-10-03 17:40:12 +0300 (Mon, 03 Oct 2022) $ #$Revision: 278324 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/17/2001776.cif $ #-------------------------------------------------------------------...

7,106,541

27.457

0.0016

17.2751

0.001

39.602

0.002

90

null

95.747

0.003

90

null

18,689.7

1.8

100

2

100

2

null

7

C 1 2/c 1

-C 2yc

15

- C71.75 H117.5 B3 Fe3 N27 Ni1.5 O8.75 -

- C72.5 H93 B3 Fe3 N27 Ni1.5 O10.5 -

- C580 H744 B24 Fe24 N216 Ni12 O84 -

8

1

Yuan-Zhu Zhang; Uma P. Mallik; Rodolphe Clerac; Nigam P. Rath; Stephen M. Holmes

Irreversible solvent-driven conversion in cyanometalate {Fe2Ni}n (n = 2, 3) single-molecule magnets

Chem.Commun.

2,011

47

7194

10.1039/c1cc10679a

0.71073

MoKα

0.0974

0.0733

null

0.1965

0.2172

null

1.184

null

has coordinates,has disorder

Yuan-Zhu Zhang; Uma P. Mallik; Rodolphe Clerac; Nigam P. Rath; Stephen M. Holmes Irreversible solvent-driven conversion in cyanometalate {Fe2Ni}n (n = 2, 3) single-molecule magnets Chem.Commun. 47 (2011) 7194

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/7/10/65/7106541.cif $ #-------------------------------------------------------------------...

2,001,777

10.832

0.004

24.89

0.013

13.924

0.002

90

null

111.88

0.02

90

null

3,484

2

null

3

P 1 21/c 1

-P 2ybc

null

- C14 H20 B10 -

- C112 H160 B80 -

8

2

MU1026

Lewis, Z. G.; Welch, A. J.

Structure of 1,2-diphenylcarbaborane, 1,2-Ph~2~-1,2-closo-C~2~B~10~H~10~

Acta Crystallographica Section C

1,993

49

4

705

710

10.1107/S0108270192012125

0.71069

Mo

null

has coordinates

Lewis, Z. G.; Welch, A. J. Structure of 1,2-diphenylcarbaborane, 1,2-Ph~2~-1,2-closo-C~2~B~10~H~10~ Acta Crystallographica Section C 49(4) (1993) 705-710

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/17/2001777.cif $ #-------------------------------------------------------------------...

2,001,778

11.014

0.004

11.03

0.007

12.333

0.006

67.83

0.05

80.78

0.04

60.2

0.05

1,203.3

1.3

null

4

P -1

-P 1

2

- C20 H36 B9 N -

- C25 H20 B9 N -

- C50 H40 B18 N2 -

2

1

MU1027

Cowie, J.; Donohoe, D. J.; Douek, N. L.; Welch, A. J.

Structures of [HNEt~3~]^+^ and [Me~3~NCH~2~C~6~H~5~]^+^ salts of [7,8-Ph~2~-7,8-nido-C~2~B~9~H~10~]^{–^}

Acta Crystallographica Section C

1,993

49

4

710

714

10.1107/S0108270192012137

0.71069

Mo

null

has coordinates

Cowie, J.; Donohoe, D. J.; Douek, N. L.; Welch, A. J. Structures of [HNEt~3~]^+^ and [Me~3~NCH~2~C~6~H~5~]^+^ salts of [7,8-Ph~2~-7,8-nido-C~2~B~9~H~10~]^{–^} Acta Crystallographica Section C 49(4) (1993) 710-714

278,247

2022-09-28

15:09:31

#------------------------------------------------------------------------------ #$Date: 2022-09-28 18:08:17 +0300 (Wed, 28 Sep 2022) $ #$Revision: 278247 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/17/2001778.cif $ #-------------------------------------------------------------------...

2,001,779

10.751

0.004

21.662

0.004

11.975

0.003

90

null

106.59

0.02

90

null

2,672.7

1.3

null

4

P 1 21/n 1

-P 2yn

14

- C24 H36 B9 N -

- C96 H144 B36 N4 -

4

1

MU1027

Cowie, J.; Donohoe, D. J.; Douek, N. L.; Welch, A. J.

Structures of [HNEt~3~]^+^ and [Me~3~NCH~2~C~6~H~5~]^+^ salts of [7,8-Ph~2~-7,8-nido-C~2~B~9~H~10~]^{–^}

Acta Crystallographica Section C

1,993

49

4

710

714

10.1107/S0108270192012137

0.71069

Mo

null

has coordinates

Cowie, J.; Donohoe, D. J.; Douek, N. L.; Welch, A. J. Structures of [HNEt~3~]^+^ and [Me~3~NCH~2~C~6~H~5~]^+^ salts of [7,8-Ph~2~-7,8-nido-C~2~B~9~H~10~]^{–^} Acta Crystallographica Section C 49(4) (1993) 710-714

278,324

2022-10-03

14:41:53

#------------------------------------------------------------------------------ #$Date: 2022-10-03 17:40:12 +0300 (Mon, 03 Oct 2022) $ #$Revision: 278324 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/17/2001779.cif $ #-------------------------------------------------------------------...

2,001,780

10.9534

0.0015

13.274

0.003

11.5283

0.0017

90

null

90.074

0.012

90

null

1,676.2

0.5

null

6

P 1 21 1

P 2yb

4

- C33 H36 B9 Cl2 Hg P -

- C33 H33 B9 Cl2 Hg P -

- C66 H66 B18 Cl4 Hg2 P2 -

2

1

MU1028

Lewis, Z. G.; Welch, A. J.

Structure of 7,8-Ph~2~-10-endo-PPh~3~Hg-7,8-nido-C~2~B~9~H~9~ methylene chloride solvate

Acta Crystallographica Section C

1,993

49

4

715

718

10.1107/S0108270192012149

0.71069

Mo

null

has coordinates

Lewis, Z. G.; Welch, A. J. Structure of 7,8-Ph~2~-10-endo-PPh~3~Hg-7,8-nido-C~2~B~9~H~9~ methylene chloride solvate Acta Crystallographica Section C 49(4) (1993) 715-718

205,898

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2018-01-30 16:30:45 +0200 (Tue, 30 Jan 2018) $ #$Revision: 205898 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/17/2001780.cif $ #-------------------------------------------------------------------...

7,106,540

12.1423

0.0016

17.3792

0.0016

17.4997

0.0016

102.334

0.005

108.05

0.005

94.584

0.005

3,387.4

0.6

100

2

100

2

null

7

P -1

-P 1

2

hexanuclear

- C57 H91 B2 Fe2 N23 Ni O5.5 -

- C57 H90 B2 Fe2 N23 Ni O5.5 -

- C114 H180 B4 Fe4 N46 Ni2 O11 -

2

1

Yuan-Zhu Zhang; Uma P. Mallik; Rodolphe Clerac; Nigam P. Rath; Stephen M. Holmes

Irreversible solvent-driven conversion in cyanometalate {Fe2Ni}n (n = 2, 3) single-molecule magnets

Chem.Commun.

2,011

47

7194

10.1039/c1cc10679a

0.71073

MoKα

0.1006

0.0484

null

0.0948

0.1146

null

1.004

null

has coordinates

Yuan-Zhu Zhang; Uma P. Mallik; Rodolphe Clerac; Nigam P. Rath; Stephen M. Holmes Irreversible solvent-driven conversion in cyanometalate {Fe2Ni}n (n = 2, 3) single-molecule magnets Chem.Commun. 47 (2011) 7194

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/7/10/65/7106540.cif $ #-------------------------------------------------------------------...

2,001,781

8.539

0.004

15.564

0.007

18.768

0.01

90.97

0.03

95.25

0.03

102.24

0.03

2,426

2

null

5

P -1

-P 1

2

- C26 H21 Cl2 O4 P -

- C104 H84 Cl8 O16 P4 -

4

2

HL1016

Lynch, D. E.; Smith, G.; Byriel, K. A.; Kennard, C. H. L.

Molecular co-crystals of carboxylic acids. 11. Structure of the 1:1 adduct of triphenylphosphine oxide with (3,4-dichlorophenoxy)acetic acid

Acta Crystallographica Section C

1,993

49

4

718

721

10.1107/S0108270192011193

0.71073

MoKα

null

has coordinates

Lynch, D. E.; Smith, G.; Byriel, K. A.; Kennard, C. H. L. Molecular co-crystals of carboxylic acids. 11. Structure of the 1:1 adduct of triphenylphosphine oxide with (3,4-dichlorophenoxy)acetic acid Acta Crystallographica Section C 49(4) (1993) 718-721

301,791

2025-08-18

23:15:00

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2,001,782

8.654

0.002

6.428

0.001

21.032

0.003

90

null

95.7

0.2

90

null

1,164.2

0.5

null

4

P 1 21 1

P 2yb

4

- C25 H43 N O3 -

- C50 H86 N2 O6 -

2

1

AB1023

Palmer, R. A.; Palmer, H. T.; Lisgarten, J. N.; Lancaster, R.

Polymorphism in dethoxyprone, a steroidal anaesthetic. I. Structure of 11α-dimethylamino-2β-ethoxy-3α-hydroxy-5α-pregnan-20-one (dethoxyprone form I)

Acta Crystallographica Section C

1,993

49

4

721

723

10.1107/S0108270192009028

1.5418

Cu

null

has coordinates

Palmer, R. A.; Palmer, H. T.; Lisgarten, J. N.; Lancaster, R. Polymorphism in dethoxyprone, a steroidal anaesthetic. I. Structure of 11α-dimethylamino-2β-ethoxy-3α-hydroxy-5α-pregnan-20-one (dethoxyprone form I) Acta Crystallographica Section C 49(4) (1993) 721-723

301,791

2025-08-18

23:15:00

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2,001,783

13.4077

0.0003

12.6064

0.0003

19.0523

0.0006

90

null

98.392

0.002

90

null

3,185.79

0.15

null

3

P 1 21 1

P 2yb

4

- C11 H16 N2 -

- C132 H192 N24 -

12

6

AL1008

Llamas-Saiz, A. L.; Foces-Foces, C.; Sobrados, I.; Elguero, J.; Meutermans, W.

(4S,7R)-7,8,8-Trimethyl-4,5,6,7-tetrahydro-4,7-methano-1H(2H)-indazole (campho[2,3-c]pyrazole): comparison between the X-ray structure and carbon-13 NMR data in the solid state

Acta Crystallographica Section C

1,993

49

4

724

729

10.1107/S0108270192010187

1.5418

Cu

null

has coordinates

Llamas-Saiz, A. L.; Foces-Foces, C.; Sobrados, I.; Elguero, J.; Meutermans, W. (4S,7R)-7,8,8-Trimethyl-4,5,6,7-tetrahydro-4,7-methano-1H(2H)-indazole (campho[2,3-c]pyrazole): comparison between the X-ray structure and carbon-13 NMR data in the solid state Acta Crystallographica Sectio...

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/17/2001783.cif $ #-------------------------------------------------------------------...

7,106,539

37.737

0.004

11.102

0.002

6.811

0.001

90

null

91.06

0.01

90

null

2,853

0.7

293

2

293

2

null

4

C 1 2/c 1

-C 2yc

15

- C9 H14.5 Er O10.25 -

- C9 H2 Er O10.25 -

- C72 H16 Er8 O82 -

8

1

Adonis Michaelides; Stavroula Skoulika; Michael G. Siskos

Photoreactive 3D microporous Lanthanide MOFs: Formation of a strained ladderane in a single crystal-to-single crystal manner

Chem.Commun.

2,011

47

7140

10.1039/c0cc05547f

0.71073

MoKα

0.0423

0.0384

null

0.1032

0.1054

null

1.183

null

has coordinates

Adonis Michaelides; Stavroula Skoulika; Michael G. Siskos Photoreactive 3D microporous Lanthanide MOFs: Formation of a strained ladderane in a single crystal-to-single crystal manner Chem.Commun. 47 (2011) 7140

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/7/10/65/7106539.cif $ #-------------------------------------------------------------------...

2,001,784

7.407

0.002

14.442

0.003

17.696

0.003

90

null

90

null

90

null

1,893

0.7

null

3

P 21 21 21

P 2ac 2ab

null

- C21 H34 O4 -

- C84 H136 O16 -

4

1

CD1002

Dias Rodrigues, A. M. G.; de Almeida Santos, R. H.; Lechat, J. R.

Structure of (4α)-13-hydroxykaur-16-en-18-oic acid (steviol) methanol solvate

Acta Crystallographica Section C

1,993

49

4

729

731

10.1107/S0108270192009181

1.54056

Cu

null

has coordinates

Dias Rodrigues, A. M. G.; de Almeida Santos, R. H.; Lechat, J. R. Structure of (4α)-13-hydroxykaur-16-en-18-oic acid (steviol) methanol solvate Acta Crystallographica Section C 49(4) (1993) 729-731

199,444

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-08-02 03:33:06 +0300 (Wed, 02 Aug 2017) $ #$Revision: 199444 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/17/2001784.cif $ #-------------------------------------------------------------------...

2,001,785

8.5

0.004

14.271

0.007

12.758

0.006

90

null

91.97

0.02

90

null

1,546.7

1.3

null

4

P 1 21/c 1

-P 2ybc

null

- C19 H15 N3 O2 -

- C76 H60 N12 O8 -

4

1

AL1020

Ashkenazi, P.; Kaftory, M.

Structures of Diels–Alder mono-adducts of 4-phenyl- or 4-methyl-1,2,4-triazolidine-3,5-dione with 11-substituted-1,6-methano[10]annulene

Acta Crystallographica Section C

1,993

49

4

731

735

10.1107/S0108270192012253

1.5418

Cu

null

has coordinates

Ashkenazi, P.; Kaftory, M. Structures of Diels–Alder mono-adducts of 4-phenyl- or 4-methyl-1,2,4-triazolidine-3,5-dione with 11-substituted-1,6-methano[10]annulene Acta Crystallographica Section C 49(4) (1993) 731-735

301,791

2025-08-18

23:15:00

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2,001,786

6.421

0.003

10.872

0.005

10.564

0.005

90

null

91.05

0.02

90

null

737.3

0.6

null

4

P 1 21 1

P 2yb

4

- C16 H15 N3 O4 -

- C32 H30 N6 O8 -

2

1

AL1020

Ashkenazi, P.; Kaftory, M.

Structures of Diels–Alder mono-adducts of 4-phenyl- or 4-methyl-1,2,4-triazolidine-3,5-dione with 11-substituted-1,6-methano[10]annulene

Acta Crystallographica Section C

1,993

49

4

731

735

10.1107/S0108270192012253

0.71069

Mo

null

has coordinates

Ashkenazi, P.; Kaftory, M. Structures of Diels–Alder mono-adducts of 4-phenyl- or 4-methyl-1,2,4-triazolidine-3,5-dione with 11-substituted-1,6-methano[10]annulene Acta Crystallographica Section C 49(4) (1993) 731-735

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/17/2001786.cif $ #-------------------------------------------------------------------...

7,106,538

37.97

0.009

11.298

0.002

6.726

0.002

90

null

91.17

0.02

90

null

2,884.8

1.2

293

2

293

2

null

4

C 1 2/c 1

-C 2yc

15

- C9 H14.5 O10.25 Y -

- C9 H14 O10.25 Y -

- C72 H112 O82 Y8 -

8

1

Adonis Michaelides; Stavroula Skoulika; Michael G. Siskos

Photoreactive 3D microporous Lanthanide MOFs: Formation of a strained ladderane in a single crystal-to-single crystal manner

Chem.Commun.

2,011

47

7140

10.1039/c0cc05547f

0.71073

MoKα

0.0974

0.0585

null

0.1571

0.1876

null

1.019

null

has coordinates

Adonis Michaelides; Stavroula Skoulika; Michael G. Siskos Photoreactive 3D microporous Lanthanide MOFs: Formation of a strained ladderane in a single crystal-to-single crystal manner Chem.Commun. 47 (2011) 7140

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/7/10/65/7106538.cif $ #-------------------------------------------------------------------...

2,001,787

26.027

0.013

10.155

0.005

6.147

0.003

96.99

0.03

93.58

0.03

92.64

0.03

1,607.1

1.4

null

4

P -1

-P 1

2

- C19 H16 N4 O2 -

- C76 H64 N16 O8 -

4

2

AL1020

Ashkenazi, P.; Kaftory, M.

Structures of Diels–Alder mono-adducts of 4-phenyl- or 4-methyl-1,2,4-triazolidine-3,5-dione with 11-substituted-1,6-methano[10]annulene

Acta Crystallographica Section C

1,993

49

4

731

735

10.1107/S0108270192012253

0.71069

Mo

null

has coordinates

Ashkenazi, P.; Kaftory, M. Structures of Diels–Alder mono-adducts of 4-phenyl- or 4-methyl-1,2,4-triazolidine-3,5-dione with 11-substituted-1,6-methano[10]annulene Acta Crystallographica Section C 49(4) (1993) 731-735

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/17/2001787.cif $ #-------------------------------------------------------------------...

2,001,788

9.808

0.004

8.78

0.005

17.248

0.006

90

null

101.7

0.04

90

null

1,454.4

1.2

null

4

P 1 21/n 1

-P 2yn

14

- C16 H16 N2 O2 -

- C64 H64 N8 O8 -

4

1

DU1008

Reboul, J. P.; Pèpe, G.; Siri, D.; Oddon, Y.; Caranoni, C.; Rahal, H.; Soyfer, J. C.; Barbe, J.

2,2'-Bis(acetamido)biphenyl

Acta Crystallographica Section C

1,993

49

4

735

738

10.1107/S0108270192009910

1.5418

Cu

null

has coordinates

Reboul, J. P.; Pèpe, G.; Siri, D.; Oddon, Y.; Caranoni, C.; Rahal, H.; Soyfer, J. C.; Barbe, J. 2,2'-Bis(acetamido)biphenyl Acta Crystallographica Section C 49(4) (1993) 735-738

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/17/2001788.cif $ #-------------------------------------------------------------------...

2,001,789

6.9196

0.0005

7.673

0.008

18.554

0.001

90

null

92.547

0.006

90

null

984.1

1

null

4

P 1 21 1

null

- C17 H19 N5 O8 -

- C34 H38 N10 O16 -

2

1

CD0068

Metzger, R. M.; Atwood, J. L.; Lee, W.-J.; Rao, S. M.; Lal, R. B.; Loo, B. H.

Structure of MAP:MNA, the 1:1 adduct between (R)-methyl 2-(2,4-dinitroanilino)propanoate (MAP) and 2-methyl-4-nitroaniline (MNA), a new nonlinear optical crystal

Acta Crystallographica Section C

1,993

49

4

738

741

10.1107/S0108270192004530

0.71069

Mo

null

has coordinates

Metzger, R. M.; Atwood, J. L.; Lee, W.-J.; Rao, S. M.; Lal, R. B.; Loo, B. H. Structure of MAP:MNA, the 1:1 adduct between (R)-methyl 2-(2,4-dinitroanilino)propanoate (MAP) and 2-methyl-4-nitroaniline (MNA), a new nonlinear optical crystal Acta Crystallographica Section C 49(4) (1993) 738-741

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/17/2001789.cif $ #-------------------------------------------------------------------...

7,106,537

37.854

0.003

11.231

0.001

6.767

0.001

90

null

90.96

0.01

90

null

2,876.5

0.5

293

2

293

2

null

4

C 1 2/c 1

-C 2yc

15

- C9 H14.5 Er O10.25 -

- C9 H14 Er O10.25 -

- C72 H112 Er8 O82 -

8

1

Adonis Michaelides; Stavroula Skoulika; Michael G. Siskos

Photoreactive 3D microporous Lanthanide MOFs: Formation of a strained ladderane in a single crystal-to-single crystal manner

Chem.Commun.

2,011

47

7140

10.1039/c0cc05547f

0.71073

MoKα

0.0326

0.0307

null

0.088

0.0894

null

0.997

null

has coordinates

Adonis Michaelides; Stavroula Skoulika; Michael G. Siskos Photoreactive 3D microporous Lanthanide MOFs: Formation of a strained ladderane in a single crystal-to-single crystal manner Chem.Commun. 47 (2011) 7140

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/7/10/65/7106537.cif $ #-------------------------------------------------------------------...

2,001,790

7.845

0.001

6.462

0.003

18.92

0.004

90

null

93.18

0.02

90

null

957.7

0.5

null

4

P 1 21/n 1

-P 2yn

14

- C8 H6 N4 O5 -

- C32 H24 N16 O20 -

4

1

NA1016

Bertolasi, V.; Gilli, P.; Ferretti, V.; Gilli, G.

Structure and crystal packing of the antibacterial drug 1-{[(5-nitro-2-furanyl)methylene]amino}-2,4-imidazolidinedione (nitrofurantoin)

Acta Crystallographica Section C

1,993

49

4

741

744

10.1107/S010827019201062X

0.71069

Mo

null

has coordinates

Bertolasi, V.; Gilli, P.; Ferretti, V.; Gilli, G. Structure and crystal packing of the antibacterial drug 1-{[(5-nitro-2-furanyl)methylene]amino}-2,4-imidazolidinedione (nitrofurantoin) Acta Crystallographica Section C 49(4) (1993) 741-744

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/17/2001790.cif $ #-------------------------------------------------------------------...

2,001,791

7.426

0.001

28.301

0.001

5.227

0.001

92.58

0.01

99.18

0.01

92.56

0.01

1,081.9

0.3

null

5

P -1

-P 1

2

- C21 H40 Cl N O -

- C42 H80 Cl2 N2 O2 -

2

1

SH1012

Paradies, H. H.; Habben, F.

Structure of N-hexadecylpyridinium chloride monohydrate

Acta Crystallographica Section C

1,993

49

4

744

747

10.1107/S010827019201179X

1.54178

Cu

null

has coordinates

Paradies, H. H.; Habben, F. Structure of N-hexadecylpyridinium chloride monohydrate Acta Crystallographica Section C 49(4) (1993) 744-747

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/17/2001791.cif $ #-------------------------------------------------------------------...

2,001,792

9.564

0.002

11.305

0.001

20.389

0.003

90

null

91.27

0.01

90

null

2,203.9

0.6

null

4

P 1 21/c 1

-P 2ybc

null

- C26 H22 N4 O2 -

- C104 H88 N16 O8 -

4

1

HA1001

Akkurt, M.; Hiller, W.

Structure of 5-benzoyl-1-[4-(dimethylamino)phenylmethyleneamino]-4-phenyl-1H-pyrimidin-2-one

Acta Crystallographica Section C

1,993

49

4

747

749

10.1107/S0108270192005651

1.54184

Cu

null

has coordinates

Akkurt, M.; Hiller, W. Structure of 5-benzoyl-1-[4-(dimethylamino)phenylmethyleneamino]-4-phenyl-1H-pyrimidin-2-one Acta Crystallographica Section C 49(4) (1993) 747-749

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/17/2001792.cif $ #-------------------------------------------------------------------...

2,001,793

9.12

0.005

9.157

0.005

17.505

0.004

90

null

90

null

123.98

0.03

1,212.2

1.1

null

7

P 1 1 21/a

-P 2ac

14

- C4 H10 Br3 K O Pt S -

- C16 H40 Br12 K4 O4 Pt4 S4 -

4

1

VS1000

Belsky, V. K.; Konovalov, V. E.; Kukushkin, V. Yu.

Structure of potassium tribromo(diethyl sulfoxide)platinate(II)

Acta Crystallographica Section C

1,993

49

4

751

752

10.1107/S0108270192008308

0.71069

Mo

null

has coordinates

Belsky, V. K.; Konovalov, V. E.; Kukushkin, V. Yu. Structure of potassium tribromo(diethyl sulfoxide)platinate(II) Acta Crystallographica Section C 49(4) (1993) 751-752

208,448

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2018-06-17 06:05:05 +0300 (Sun, 17 Jun 2018) $ #$Revision: 208448 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/17/2001793.cif $ #-------------------------------------------------------------------...

2,001,794

7.984

0.002

16.019

0.002

10.172

0.002

90

null

94.27

0.01

90

null

1,297.3

0.4

null

5

P 1 21/n 1

-P 2yn

14

- C8 H14 Cl2 O4 Sn -

- C32 H56 Cl8 O16 Sn4 -

4

1

OH1001

Ng, S. W.

Structure of bis(2-methoxycarbonylethyl-C',O)tin dichloride

Acta Crystallographica Section C

1,993

49

4

753

754

10.1107/S0108270192008862

0.71073

Mo

null

has coordinates

Ng, S. W. Structure of bis(2-methoxycarbonylethyl-C',O)tin dichloride Acta Crystallographica Section C 49(4) (1993) 753-754

278,324

2022-10-03

14:41:53

#------------------------------------------------------------------------------ #$Date: 2022-10-03 17:40:12 +0300 (Mon, 03 Oct 2022) $ #$Revision: 278324 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/17/2001794.cif $ #-------------------------------------------------------------------...

2,001,795

12.1759

0.0007

12.8661

0.0009

14.3293

0.0009

79.041

0.005

71.665

0.005

69.467

0.005

1,987.4

0.2

null

5

P -1

-P 1

2

- C86 H82 N2 O10 Sn4 -

1

0.5

OH1002

Ng, S. W.; Kumar Das, V. G.

Structure of bis(triphenyltin) succinate‒[bis(triphenyltin) succinate bis(N,N-dimethylformamide)] (1/1)

Acta Crystallographica Section C

1,993

49

4

754

756

10.1107/S0108270192008874

0.71073

Mo

null

has coordinates

Ng, S. W.; Kumar Das, V. G. Structure of bis(triphenyltin) succinate‒[bis(triphenyltin) succinate bis(N,N-dimethylformamide)] (1/1) Acta Crystallographica Section C 49(4) (1993) 754-756

208,360

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2018-06-14 04:32:00 +0300 (Thu, 14 Jun 2018) $ #$Revision: 208360 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/17/2001795.cif $ #-------------------------------------------------------------------...

1,501,468

5.758

null

5.758

null

13.54

null

90

null

90

null

90

null

448.913

null

3

I 41/a :2

-I 4ad

88

- O4 Rb Tc -

- O16 Rb4 Tc4 -

4

0.25

Errico, Leonardo; Darriba, German; Renteria, Mario; Zhengning, Tang; Emmerich, Heike; Cottenier, Stefaan

Nuclear quadrupole moment of the 99Tc ground state

Physical Review B

2,008

77

195118

10.1103/PhysRevB.77.195118

null

has coordinates

Errico, Leonardo; Darriba, German; Renteria, Mario; Zhengning, Tang; Emmerich, Heike; Cottenier, Stefaan Nuclear quadrupole moment of the 99Tc ground state Physical Review B 77 (2008) 195118

301,775

2025-08-18

14:01:16

#------------------------------------------------------------------------------ #$Date: 2025-08-18 16:30:32 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301775 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/50/14/1501468.cif $ #-------------------------------------------------------------------...

2,001,796

16.28

0.003

17.204

0.003

17.738

0.004

90

null

101.42

0.02

90

null

4,869.7

1.7

null

5

C 1 2/c 1

-C 2yc

null

- C32 H72 Mo6 N2 O19 -

- C128 H288 Mo24 N8 O76 -

4

0.5

HH1016

Rheingold, A. L.; White, C. B.; Haggerty, B. S.; Maatta, E. A.

Bis(tetrabutylammonium) nonadecaoxohexamolybdenum(VI): a second polymorph

Acta Crystallographica Section C

1,993

49

4

756

758

10.1107/S0108270192007765

0.71073

Mo

null

has coordinates

Rheingold, A. L.; White, C. B.; Haggerty, B. S.; Maatta, E. A. Bis(tetrabutylammonium) nonadecaoxohexamolybdenum(VI): a second polymorph Acta Crystallographica Section C 49(4) (1993) 756-758

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/17/2001796.cif $ #-------------------------------------------------------------------...

2,001,797

10.099

0.002

11.4014

0.0008

15.682

0.003

95.145

0.009

92.72

0.02

98.29

0.01

1,776.3

0.5

null

7

P -1

-P 1

2

- C40 H36 As N O S Sn -

- C80 H72 As2 N2 O2 S2 Sn2 -

2

1

OH1003

Ng, S. W.; Kumar Das, V. G.

Structure of tribenzyl(thiocyanato-N)(triphenylarsine oxide-O)tin

Acta Crystallographica Section C

1,993

49

4

758

760

10.1107/S0108270192009843

0.71073

Mo

null

has coordinates

Ng, S. W.; Kumar Das, V. G. Structure of tribenzyl(thiocyanato-N)(triphenylarsine oxide-O)tin Acta Crystallographica Section C 49(4) (1993) 758-760

208,360

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2018-06-14 04:32:00 +0300 (Thu, 14 Jun 2018) $ #$Revision: 208360 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/17/2001797.cif $ #-------------------------------------------------------------------...

2,001,798

11.658

0.001

13.001

0.001

15.251

0.002

70.621

0.008

68.538

0.008

66.049

0.007

1,919.8

0.4

null

5

P -1

-P 1

2

- C22 H25 Fe O2 Rh -

- C88 H100 Fe4 O8 Rh4 -

4

2

LI9126

Swarts, J. C.; Vosloo, T. G.; Leipoldt, J. G.; Lamprecht, G. J.

Structure of (η^4^-1,5-cyclooctadiene)(1-ferrocenyl-1,3-butanedionato-κ^2^O,O')rhodium(I)

Acta Crystallographica Section C

1,993

49

4

760

763

10.1107/S0108270192009569

0.71073

Mo

null

has coordinates

Swarts, J. C.; Vosloo, T. G.; Leipoldt, J. G.; Lamprecht, G. J. Structure of (η^4^-1,5-cyclooctadiene)(1-ferrocenyl-1,3-butanedionato-κ^2^O,O')rhodium(I) Acta Crystallographica Section C 49(4) (1993) 760-763

278,247

2022-09-28

15:09:31

#------------------------------------------------------------------------------ #$Date: 2022-09-28 18:08:17 +0300 (Wed, 28 Sep 2022) $ #$Revision: 278247 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/17/2001798.cif $ #-------------------------------------------------------------------...

2,001,799

6.962

0.004

13.754

0.007

22.974

0.012

90

null

90

null

90

null

2,200

2

null

4

P b c a

-P 2ac 2ab

null

- C11 H12 N4 O2 -

- C88 H96 N32 O16 -

8

1

GR1000

De Bondt, H. L.; Blaton, N. M.; Peeters, O. M.; De Ranter, C. J.

Structure of 5-benzylamino-1-methyl-4-nitroimidazole

Acta Crystallographica Section C

1,993

49

4

763

765

10.1107/S0108270192009570

1.54178

Cu

null

has coordinates

De Bondt, H. L.; Blaton, N. M.; Peeters, O. M.; De Ranter, C. J. Structure of 5-benzylamino-1-methyl-4-nitroimidazole Acta Crystallographica Section C 49(4) (1993) 763-765

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/17/2001799.cif $ #-------------------------------------------------------------------...

1,501,467

5.63

null

5.63

null

12.867

null

90

null

90

null

90

null

407.844

null

3

I 41/a :2

-I 4ad

88

- K O4 Tc -

- K4 O16 Tc4 -

4

0.25

Errico, Leonardo; Darriba, German; Renteria, Mario; Zhengning, Tang; Emmerich, Heike; Cottenier, Stefaan

Nuclear quadrupole moment of the 99Tc ground state

Physical Review B

2,008

77

195118

10.1103/PhysRevB.77.195118

null

has coordinates

Errico, Leonardo; Darriba, German; Renteria, Mario; Zhengning, Tang; Emmerich, Heike; Cottenier, Stefaan Nuclear quadrupole moment of the 99Tc ground state Physical Review B 77 (2008) 195118

301,775

2025-08-18

14:01:16

#------------------------------------------------------------------------------ #$Date: 2025-08-18 16:30:32 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301775 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/50/14/1501467.cif $ #-------------------------------------------------------------------...

2,001,800

6.981

0.007

11.443

0.009

9.255

0.011

76.15

0.08

85.75

0.09

74.13

0.07

690.4

1.2

null

4

P -1

-P 1

2

- C17 H17 Br N2 -

- C34 H34 Br2 N4 -

2

1

MU0296

Dunaj-Jurčo, M.; Mikloš, D.; Jendrichovský, J.

Structure of 11-(4-bromophenyl)-1,2,3,4,5,6-hexahydro-1,6-methano-1,6-benzodiazocine

Acta Crystallographica Section C

1,993

49

4

765

766

10.1107/S0108270192007145

0.71073

Mo

null

has coordinates

Dunaj-Jurčo, M.; Mikloš, D.; Jendrichovský, J. Structure of 11-(4-bromophenyl)-1,2,3,4,5,6-hexahydro-1,6-methano-1,6-benzodiazocine Acta Crystallographica Section C 49(4) (1993) 765-766

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/18/2001800.cif $ #-------------------------------------------------------------------...

2,001,801

6.491

0.002

10.152

0.001

13.358

0.001

90

null

100.74

0.01

90

null

864.8

0.3

null

4

P 1 21/n 1

-P 2yn

14

- C12 H28 P2 S2 -

- C24 H56 P4 S4 -

2

0.5

AL1010

Sillanpää, R.; Ergin, Ö.; Çelebi, S.

Tetra-n-propyl-1,2-dithioxodi-λ^5^-phosphane

Acta Crystallographica Section C

1,993

49

4

767

768

10.1107/S0108270192007625

0.71069

Mo

null

has coordinates

Sillanpää, R.; Ergin, Ö.; Çelebi, S. Tetra-n-propyl-1,2-dithioxodi-λ^5^-phosphane Acta Crystallographica Section C 49(4) (1993) 767-768

278,324

2022-10-03

14:41:53

#------------------------------------------------------------------------------ #$Date: 2022-10-03 17:40:12 +0300 (Mon, 03 Oct 2022) $ #$Revision: 278324 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/18/2001801.cif $ #-------------------------------------------------------------------...

2,001,802

19.048

0.006

10.507

0.004

6.691

0.004

90

null

90

null

90

null

1,339.1

1

null

4

P n a 21

null

- C13 H14 N4 O3 -

- C52 H56 N16 O12 -

4

1

HU1003

Bardi, R.; Piazzesi, A. M.; Del Pra, A.

Structure of ethyl 2-(3-methyl-1,2,4-oxadiazol-5-yl)-2-phenylhydrazonoethanoate

Acta Crystallographica Section C

1,993

49

4

768

770

10.1107/S0108270192009806

0.7107

Mo

null

has coordinates

Bardi, R.; Piazzesi, A. M.; Del Pra, A. Structure of ethyl 2-(3-methyl-1,2,4-oxadiazol-5-yl)-2-phenylhydrazonoethanoate Acta Crystallographica Section C 49(4) (1993) 768-770

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/18/2001802.cif $ #-------------------------------------------------------------------...

2,001,803

6.628

0.004

12.604

0.006

20.774

0.011

90

null

90

null

90

null

1,735.4

1.6

null

3

P 21 21 21

P 2ac 2ab

null

- C20 H20 O5 -

- C20 O5 -

- C80 O20 -

4

1

GR0196

Galinis, D. L.; Swenson, D. C.; Wiemer, D. F.

Structure of a 2'-oxo-8.1'-neolignan

Acta Crystallographica Section C

1,993

49

4

770

772

10.1107/S0108270192009557

0.7107

Mo

null

has coordinates

Galinis, D. L.; Swenson, D. C.; Wiemer, D. F. Structure of a 2'-oxo-8.1'-neolignan Acta Crystallographica Section C 49(4) (1993) 770-772

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/18/2001803.cif $ #-------------------------------------------------------------------...

1,501,466

5.2185

null

5.2185

null

8.6527

null

90

null

90

null

120

null

204.067

null

2

P 63/m m c

-P 6c 2c

194

- Tc2 Zr -

- Tc8 Zr4 -

4

0.166667

Errico, Leonardo; Darriba, German; Renteria, Mario; Zhengning, Tang; Emmerich, Heike; Cottenier, Stefaan

Nuclear quadrupole moment of the 99Tc ground state

Physical Review B

2,008

77

195118

10.1103/PhysRevB.77.195118

null

has coordinates

Errico, Leonardo; Darriba, German; Renteria, Mario; Zhengning, Tang; Emmerich, Heike; Cottenier, Stefaan Nuclear quadrupole moment of the 99Tc ground state Physical Review B 77 (2008) 195118

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/1/50/14/1501466.cif $ #-------------------------------------------------------------------...

2,001,804

40.88

0.01

6.733

0.004

30.16

0.01

90

null

132.08

0.03

90

null

6,161

5

null

4

C 1 2/c 1

-C 2yc

15

- C8 H18 O Si -

- C192 H432 O24 Si24 -

24

3

GR0205

Negron, A.; Barnes, C. L.; Soderquist, J. A.

1,1,4-Trimethylsilacyclohexan-4-ol

Acta Crystallographica Section C

1,993

49

4

772

774

10.1107/S010827019200965X

0.71073

Mo

null

has coordinates

Negron, A.; Barnes, C. L.; Soderquist, J. A. 1,1,4-Trimethylsilacyclohexan-4-ol Acta Crystallographica Section C 49(4) (1993) 772-774

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/18/2001804.cif $ #-------------------------------------------------------------------...