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

2,005,455

10.6038

0.0011

10.4252

0.0011

10.8255

0.0012

90

null

118.675

0.002

90

null

1,050

0.2

160

2

160

2

null

4

P 1 21/c 1

-P 2ybc

14

(μ~2~-pinacolato-O,O')-bis(pinacolato-O,O')-diboron

- C18 H36 B2 O6 -

- C36 H72 B4 O12 -

2

0.5

AB1397

Clegg, W.; Scott, A. J.; Dai, C.; Lesley, G.; Marder, T. B.; Norman, N. C.; Farrugia, L. J.

(μ~2~-Pinacolato-O,O')-bis(pinacolato-O,O')diboron

Acta Crystallographica Section C

1,996

52

10

2545

2547

10.1107/S0108270196008177

0.71073

MoKα

0.0587

0.0471

null

0.1064

0.0983

null

1.133

1.146

null

has coordinates

Clegg, W.; Scott, A. J.; Dai, C.; Lesley, G.; Marder, T. B.; Norman, N. C.; Farrugia, L. J. (μ~2~-Pinacolato-O,O')-bis(pinacolato-O,O')diboron Acta Crystallographica Section C 52(10) (1996) 2545-2547

301,791

2025-08-18

23:15:27

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2,005,456

16.535

0.005

3.8939

0.001

19.89

0.005

90

null

111.87

0.008

90

null

1,188.5

0.6

160

2

160

2

null

4

P 1 21/n 1

-P 2yn

14

m-nitro-N-(p-methoxybenzylidene)aniline

- C14 H12 N2 O3 -

- C56 H48 N8 O12 -

4

1

AB1402

Clegg, W.; Elsegood, M. R. J.; Heath, S. L.; Houlton, A.; Shipman, M. A.

Conformational Flexibility in N-Benzylideneanilines

Acta Crystallographica Section C

1,996

52

10

2548

2552

10.1107/S0108270196009225

0.71073

MoKα

0.0932

0.0715

null

0.1765

0.1674

null

1.221

1.354

null

has coordinates

Clegg, W.; Elsegood, M. R. J.; Heath, S. L.; Houlton, A.; Shipman, M. A. Conformational Flexibility in N-Benzylideneanilines Acta Crystallographica Section C 52(10) (1996) 2548-2552

301,791

2025-08-18

23:15:27

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2,005,457

11.4508

0.001

7.3793

0.0007

29.047

0.003

90

0.002

99.642

0.002

90

0.002

2,419.8

0.4

160

2

160

2

null

4

P 1 21/n 1

-P 2yn

14

p-nitro-N-(p-methoxybenzylidene)aniline

- C14 H12 N2 O3 -

- C112 H96 N16 O24 -

8

2

AB1402

Clegg, W.; Elsegood, M. R. J.; Heath, S. L.; Houlton, A.; Shipman, M. A.

Conformational Flexibility in N-Benzylideneanilines

Acta Crystallographica Section C

1,996

52

10

2548

2552

10.1107/S0108270196009225

0.71073

MoKα

0.056

0.0386

null

0.1061

0.0937

null

1.063

1.077

null

has coordinates

Clegg, W.; Elsegood, M. R. J.; Heath, S. L.; Houlton, A.; Shipman, M. A. Conformational Flexibility in N-Benzylideneanilines Acta Crystallographica Section C 52(10) (1996) 2548-2552

301,791

2025-08-18

23:15:27

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2,005,458

25.559

0.002

7.0926

0.0007

22.138

0.002

90

null

110.792

0.008

90

null

3,751.8

0.6

294

1

294

1

null

4

C 1 2/c 1

-C 2yc

15

4,4'-Dihydroxybenzophenone–4,4'-Bipyridyl (1/1)

- C23 H18 N2 O3 -

- C184 H144 N16 O24 -

8

1

AB1404

Coupar, P. I.; Ferguson, G.; Glidewell, C.

Hydrogen-Bonded Chains in 4,4'-Dihydroxybenzophenone–4,4'-Bipyridyl (1/1) and Chains of Rings in 1,3,5-Trihydroxybenzene–4,4'-Bipyridyl (2/3)

Acta Crystallographica Section C

1,996

52

10

2524

2528

10.1107/S0108270196008669

0.7107

MolybdenumKα

0.1775

0.0706

null

0.1513

0.1251

null

0.951

1.273

null

has coordinates

Coupar, P. I.; Ferguson, G.; Glidewell, C. Hydrogen-Bonded Chains in 4,4'-Dihydroxybenzophenone–4,4'-Bipyridyl (1/1) and Chains of Rings in 1,3,5-Trihydroxybenzene–4,4'-Bipyridyl (2/3) Acta Crystallographica Section C 52(10) (1996) 2524-2528

301,791

2025-08-18

23:15:27

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2,005,459

16.716

0.005

13.765

0.005

17.782

0.003

90

null

117.18

0.02

90

null

3,639.8

1.9

294

1

294

1

null

4

P 1 21/a 1

-P 2yab

14

1,3,5-Trihydroxybenzene–4,4'-Bipyridyl (2/3)

- C42 H36 N6 O6 -

- C168 H144 N24 O24 -

4

1

AB1404

Coupar, P. I.; Ferguson, G.; Glidewell, C.

Hydrogen-Bonded Chains in 4,4'-Dihydroxybenzophenone–4,4'-Bipyridyl (1/1) and Chains of Rings in 1,3,5-Trihydroxybenzene–4,4'-Bipyridyl (2/3)

Acta Crystallographica Section C

1,996

52

10

2524

2528

10.1107/S0108270196008669

0.7107

MolybdenumKα

0.2379

0.0769

null

0.1875

0.1428

null

0.905

1.486

null

has coordinates

Coupar, P. I.; Ferguson, G.; Glidewell, C. Hydrogen-Bonded Chains in 4,4'-Dihydroxybenzophenone–4,4'-Bipyridyl (1/1) and Chains of Rings in 1,3,5-Trihydroxybenzene–4,4'-Bipyridyl (2/3) Acta Crystallographica Section C 52(10) (1996) 2524-2528

301,791

2025-08-18

23:15:27

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2,005,460

15.048

0.002

19.295

0.003

8.1684

0.001

90

null

90

null

90

null

2,371.7

0.6

294

1

294

1

null

4

A b a 2

A 2 -2ab

41

4,4'-Sulfonyldiphenol

- C12 H10 O4 S -

- C96 H80 O32 S8 -

8

null

AB1406

Glidewell, C.; Ferguson, G.

Interpenetrating Square Nets in the Hydrogen-Bonded Structure of 4,4'-Sulfonyldiphenol

Acta Crystallographica Section C

1,996

52

10

2528

2530

10.1107/S0108270196009316

0.7107

MolybdenumKα

0.1579

0.0468

null

0.0874

0.0722

null

0.905

1.294

null

has coordinates

Glidewell, C.; Ferguson, G. Interpenetrating Square Nets in the Hydrogen-Bonded Structure of 4,4'-Sulfonyldiphenol Acta Crystallographica Section C 52(10) (1996) 2528-2530

301,791

2025-08-18

23:15:27

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2,005,461

11.447

0.001

12.989

0.001

24.881

0.001

90

null

90

null

90

null

3,699.4

0.5

294

null

5

P b c n

null

- C20 H24 N2 O3 S -

- C160 H192 N16 O24 S8 -

8

1

BK1153

Kumaradhas, P.; Nirmala, K. A.; Sridhar, M. A.

cis-(±)-5-[2-(Dimethylamino)ethyl]-3-hydroxy-2-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one

Acta Crystallographica Section C

1,996

52

10

2595

2597

10.1107/S0108270196005070

0.7093

MoKα

null

0.0486

null

0.1087

null

1.205

null

has coordinates

Kumaradhas, P.; Nirmala, K. A.; Sridhar, M. A. cis-(±)-5-[2-(Dimethylamino)ethyl]-3-hydroxy-2-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one Acta Crystallographica Section C 52(10) (1996) 2595-2597

301,791

2025-08-18

23:15:27

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4,322,164

9.369

0.004

11.168

0.004

12.663

0.004

93.01

0.03

105.534

0.015

92.57

0.02

1,272.4

0.8

293

2

293

2

null

5

P -1

-P 1

2

- C50 H50 N12 O14 Pr2 -

- C50 H42 N12 O14 Pr2 -

1

0.5

Raphaël Wietzke; Marinella Mazzanti; Jean-Marc Latour; Jacques Pécaut

Crystal Structure and Solution Fluxionality of Lanthanide Complexes of 2,4,6,-Tris-2-pyridyl-1,3,5-triazine

Inorganic Chemistry

1,999

38

3581

3585

10.1021/ic990122w

0.71073

MoKα

0.0646

0.0516

null

0.1372

0.1295

null

1.023

1.062

null

has coordinates

Raphaël Wietzke; Marinella Mazzanti; Jean-Marc Latour; Jacques Pécaut Crystal Structure and Solution Fluxionality of Lanthanide Complexes of 2,4,6,-Tris-2-pyridyl-1,3,5-triazine Inorganic Chemistry 38 (1999) 3581-3585

179,324

2020-10-21

18:00:00

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2,005,462

9.0882

0.0008

12.7583

0.0014

15.5461

0.0013

90

null

104.725

0.007

90

null

1,743.4

0.3

163

null

4

P 1 21/c 1

-P 2ybc

14

- C22 H23 B O -

- C88 H92 B4 O4 -

4

1

BK1195

Evans, W. J.; Shreeve, J. L.; Ziller, J. W.

Triphenyl(tetrahydrofuranyl)boron

Acta Crystallographica Section C

1,996

52

10

2571

2573

10.1107/S0108270196006683

0.71073

MoKα

null

0.063

null

0.067

null

1.31

null

has coordinates

Evans, W. J.; Shreeve, J. L.; Ziller, J. W. Triphenyl(tetrahydrofuranyl)boron Acta Crystallographica Section C 52(10) (1996) 2571-2573

301,791

2025-08-18

23:15:27

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2,005,463

11.49

0.002

11.49

0.002

30.906

0.003

90

null

90

null

90

null

4,080.2

1.1

153.2

null

153.2

null

7

I 41 2 2

I 4bw 2bw

98

- C30 H32 Cd F10 N6 Nb2 O2 -

- C32 H32 Cd F10 N8 Nb2 O2 -

- C128 H128 Cd4 F40 N32 Nb8 O8 -

4

0.25

BK1219

Halasyamani, P.; Willis, M. J.; Heier, K. R.; Stern, C. L.; Poeppelmeier, K. R.

[pyH^+^]~2~[CdNb~2~(py)~4~O~2~F~10~]^2{-^}

Acta Crystallographica Section C

1,996

52

10

2491

2493

10.1107/S0108270196007573

0.7107

MoKα

null

0.0245

null

0.0289

null

2.35

null

has coordinates

Halasyamani, P.; Willis, M. J.; Heier, K. R.; Stern, C. L.; Poeppelmeier, K. R. [pyH^+^]~2~[CdNb~2~(py)~4~O~2~F~10~]^2{-^} Acta Crystallographica Section C 52(10) (1996) 2491-2493

176,435

2020-10-21

18:00:00

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2,005,464

10.2743

0.0001

9.6211

0.0002

17.3827

0.0004

90

null

94.95

0.001

90

null

1,711.87

0.06

293

2

293

2

null

4

P 1 21/n 1

-P 2yn

14

Ethyl 3-(9-anthryl)-5-methyl-4-isoxazolecarboxylate

- C21 H17 N O3 -

- C84 H68 N4 O12 -

4

1

BK1222

Mosher, M. D.; Natale, N. R.; Vij, A.

An Intercalating Isoxazole

Acta Crystallographica Section C

1,996

52

10

2513

2515

10.1107/S0108270196005082

0.71073

MoKα

0.0498

0.047

null

0.111

0.1094

null

1.2

1.222

null

has coordinates

Mosher, M. D.; Natale, N. R.; Vij, A. An Intercalating Isoxazole Acta Crystallographica Section C 52(10) (1996) 2513-2515

301,791

2025-08-18

23:15:27

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2,005,465

9.615

0.002

4.909

0.001

21.126

0.004

90

null

99.02

0.03

90

null

984.8

0.4

198

2

198

2

null

7

P 1 21/c 1

-P 2ybc

14

catena-poly[μ-(difluorophosphato-O:O')bis{silver-μ- (4,4'-dicyanodiphenylacetylene-N:N')}]

- C16 H8 Ag2 F4 N2 O4 P2 -

- C32 H16 Ag4 F8 N4 O8 P4 -

2

0.5

BK1228

Hirsch, K. A.; Wilson, S. R.; Moore, J. S.

A Silver(I) Complex of 4,4'-Dicyanodiphenylacetylene with a Difluorophosphate (PO~2~F~2~^{-^}) Counterion

Acta Crystallographica Section C

1,996

52

10

2419

2422

10.1107/S0108270196005173

0.71073

MoKα

0.0403

0.03

null

0.078

0.0726

null

1.05

1.089

null

has coordinates,has disorder

Hirsch, K. A.; Wilson, S. R.; Moore, J. S. A Silver(I) Complex of 4,4'-Dicyanodiphenylacetylene with a Difluorophosphate (PO~2~F~2~^{-^}) Counterion Acta Crystallographica Section C 52(10) (1996) 2419-2422

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/2/00/54/2005465.cif $ #-------------------------------------------------------------------...

2,005,466

25.483

0.004

8.0133

0.0019

15.339

0.004

90

null

121.581

0.014

90

null

2,668.4

1.1

297

null

297

null

3

C 1 2 1

C 2y

5

- C27 H48 O6 -

- C28 H42 O6 -

- C112 H168 O24 -

4

1

BK1233

Wahle, M. C.; Byrn, S. R.

3α,7α,12α-Trihydroxy-5β-cholan-24-oic Acid Methyl Ester Ethanolate (Methyl Cholate Ethanolate)

Acta Crystallographica Section C

1,996

52

10

2500

2502

10.1107/S0108270196005161

1.54184

Cu-Kα

0.088

0.062

null

0.19

null

1.101

null

has coordinates

Wahle, M. C.; Byrn, S. R. 3α,7α,12α-Trihydroxy-5β-cholan-24-oic Acid Methyl Ester Ethanolate (Methyl Cholate Ethanolate) Acta Crystallographica Section C 52(10) (1996) 2500-2502

198,472

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-07-05 13:34:58 +0300 (Wed, 05 Jul 2017) $ #$Revision: 198472 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/54/2005466.cif $ #-------------------------------------------------------------------...

2,005,467

7.793

0.006

15.72

0.009

20.514

0.012

90

null

90

null

90

null

2,513

3

296

null

296

null

4

P 21 21 21

P 2ac 2ab

19

Sodium 3α,7α,12α-Trihydroxy-5β-cholan-24-oate Methanolate

- C25 H43 Na O6 -

- C100 H172 Na4 O24 -

4

1

BK1236

Wahle, M. C.; Byrn, S. R.

Sodium Cholate Methanolate and Sodium Cholate 2-Propanolate

Acta Crystallographica Section C

1,996

52

10

2495

2499

10.1107/S0108270196006506

0.71073

MoKα

0.099

0.068

null

0.156

null

1.045

null

has coordinates

Wahle, M. C.; Byrn, S. R. Sodium Cholate Methanolate and Sodium Cholate 2-Propanolate Acta Crystallographica Section C 52(10) (1996) 2495-2499

301,791

2025-08-18

23:15:27

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2,005,468

10.466

0.002

7.6364

0.0019

17.197

0.002

90

null

90.37

0.012

90

null

1,374.4

0.5

295

null

295

null

4

P 1 21 1

P 2yb

4

Sodium 3α,7α,12α-Trihydroxy-5β-cholan-24-oate 2-Propanolate

- C27 H47 Na O6 -

- C54 H94 Na2 O12 -

2

1

BK1236

Wahle, M. C.; Byrn, S. R.

Sodium Cholate Methanolate and Sodium Cholate 2-Propanolate

Acta Crystallographica Section C

1,996

52

10

2495

2499

10.1107/S0108270196006506

1.54184

CuKα

0.205

0.063

null

0.205

0.134

null

1.088

1.216

null

has coordinates

Wahle, M. C.; Byrn, S. R. Sodium Cholate Methanolate and Sodium Cholate 2-Propanolate Acta Crystallographica Section C 52(10) (1996) 2495-2499

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/2/00/54/2005468.cif $ #-------------------------------------------------------------------...

2,005,469

9.8583

0.0003

10.7631

0.0001

11.3841

0.0003

64.636

0.002

84.154

0.002

83.762

0.002

1,082.96

0.05

198

2

198

2

null

4

P -1

-P 1

2

- C26 H31 N O3 -

- C52 H62 N2 O6 -

2

1

BK1243

Dixon, J. A.; Swiss, K. A.; Denmark, S. E.

rel-(1R,6S,7S,8R,9S)-9-Methyl-8-phenyl-6-[(1S,2R)-(2-phenylcyclohexyl)oxy]-4-aza-3,5-dioxatricyclo[5.2.1.0^4,9^]decane

Acta Crystallographica Section C

1,996

52

10

2561

2563

10.1107/S0108270196006671

0.71073

MoKα

0.1001

0.049

null

0.126

0.1011

null

1.03

1.084

null

has coordinates

Dixon, J. A.; Swiss, K. A.; Denmark, S. E. rel-(1R,6S,7S,8R,9S)-9-Methyl-8-phenyl-6-[(1S,2R)-(2-phenylcyclohexyl)oxy]-4-aza-3,5-dioxatricyclo[5.2.1.0^4,9^]decane Acta Crystallographica Section C 52(10) (1996) 2561-2563

301,791

2025-08-18

23:15:27

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2,005,470

33.749

0.004

4.459

0.003

28.151

0.003

90

null

98.59

0.01

90

null

4,189

3

296

null

296

null

3

C 1 2/c 1

-C 2yc

15

fluorene-9-carboxylic acid

- C14 H10 O2 -

- C224 H160 O32 -

16

2

BK1245

Blackburn, A. C.; Dobson, A. J.; Gerkin, R. E.

Fluorene-9-carboxylic Acid

Acta Crystallographica Section C

1,996

52

10

2638

2641

10.1107/S0108270196006269

0.71073

MoKα

null

0.04

null

0.05

null

1.64

null

has coordinates

Blackburn, A. C.; Dobson, A. J.; Gerkin, R. E. Fluorene-9-carboxylic Acid Acta Crystallographica Section C 52(10) (1996) 2638-2641

176,759

2020-10-21

18:00:00

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2,005,471

18.494

0.008

9.857

0.003

20.886

0.008

90

null

100.83

0.03

90

null

3,740

2

293

2

293

2

null

6

P 1 21/c 1

-P 2ybc

14

Dichloro-bis(diphenylmethylphosphine)- (η^2^-3,3-diphenylcyclopropene)-oxo-tungsten

- C41 H38 Cl2 O P2 W -

- C164 H152 Cl8 O4 P8 W4 -

4

1

BK1246

Day, M. W.; Wilhelm, T. E.; Grubbs, R. H.

A Diphenylcyclopropene Complex of Tungsten, [WCl~2~O(PMePh~2~)~2~(η^2^-3,3-diphenylcyclopropene)], Precursor to a Tungsten‒Oxo‒Olefin Metathesis Catalyst

Acta Crystallographica Section C

1,996

52

10

2460

2462

10.1107/S0108270196006464

0.71073

MoKα

0.0658

0.036

null

0.0765

0.062

null

1.502

1.47

null

has coordinates

Day, M. W.; Wilhelm, T. E.; Grubbs, R. H. A Diphenylcyclopropene Complex of Tungsten, [WCl~2~O(PMePh~2~)~2~(η^2^-3,3-diphenylcyclopropene)], Precursor to a Tungsten‒Oxo‒Olefin Metathesis Catalyst Acta Crystallographica Section C 52(10) (1996) 2460-2462

176,759

2020-10-21

18:00:00

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4,322,163

7.1306

0.0005

13.885

0.0009

13.94

0.0009

96.309

0.001

100.413

0.001

99.315

0.001

1,325.71

0.15

293

2

293

2

null

6

P -1

-P 1

2

- C22 H28 Cl3 Eu N6 O4 -

- C22 H20 Cl3 Eu N6 O4 -

- C44 H40 Cl6 Eu2 N12 O8 -

2

1

Raphaël Wietzke; Marinella Mazzanti; Jean-Marc Latour; Jacques Pécaut

Crystal Structure and Solution Fluxionality of Lanthanide Complexes of 2,4,6,-Tris-2-pyridyl-1,3,5-triazine

Inorganic Chemistry

1,999

38

3581

3585

10.1021/ic990122w

0.71073

MoKα

0.0642

0.0622

null

0.1681

0.1664

null

1.1

1.126

null

has coordinates

Raphaël Wietzke; Marinella Mazzanti; Jean-Marc Latour; Jacques Pécaut Crystal Structure and Solution Fluxionality of Lanthanide Complexes of 2,4,6,-Tris-2-pyridyl-1,3,5-triazine Inorganic Chemistry 38 (1999) 3581-3585

179,324

2020-10-21

18:00:00

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2,005,472

9.5

0.002

10.031

0.003

4.91

0.002

90

null

97.4

0.02

90

null

464

0.3

293

2

293

2

null

4

C 1 2/m 1

-C 2y

12

- C6 H8 Cl2 N4 -

- C12 H16 Cl4 N8 -

2

0.25

BK1258

Bélanger, S.; Beauchamp, A. L.

2,2'-Bi(1H-imidazolium) Dichloride

Acta Crystallographica Section C

1,996

52

10

2588

2590

10.1107/S0108270196008098

1.54056

CopperKα

0.0439

0.043

null

0.109

0.1084

null

1.12

1.146

null

has coordinates

Bélanger, S.; Beauchamp, A. L. 2,2'-Bi(1H-imidazolium) Dichloride Acta Crystallographica Section C 52(10) (1996) 2588-2590

301,791

2025-08-18

23:15:27

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2,005,473

4.837

0.001

13.296

0.001

18.24

0.001

90

null

90

null

90

null

1,173.1

0.3

293

null

5

P 21 21 21

P 2ac 2ab

19

- C10 H12 F2 N2 O4 -

- C40 H48 F8 N8 O16 -

4

1

BM1043

Das, A. K.; Mukhopadhyay, A.; Das, N.; Mazumdar, S. K.; Bertolasi, V.; Van Aerschot, A.

3'-Deoxy-2',3'-difluorothymidine, a Nucleoside Analogue

Acta Crystallographica Section C

1,996

52

10

2615

2616

10.1107/S010827019600282X

0.71073

MoKα

null

0.037

null

0.042

null

1.428

null

has coordinates

Das, A. K.; Mukhopadhyay, A.; Das, N.; Mazumdar, S. K.; Bertolasi, V.; Van Aerschot, A. 3'-Deoxy-2',3'-difluorothymidine, a Nucleoside Analogue Acta Crystallographica Section C 52(10) (1996) 2615-2616

301,791

2025-08-18

23:15:27

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2,005,474

8.469

0.008

13.474

0.008

11.256

0.009

90

null

106.29

0.06

90

null

1,232.9

1.7

153

null

153

null

5

P 1 21/n 1

-P 2yn

14

- C12 H16 N2 O2 S -

- C48 H64 N8 O8 S4 -

4

1

BM1075

Fortes, A. G.; Johnstone, R. A. W.; Mahmood, S.

N-(1-Methyl-2-pyrrolidinylidene)-p-toluenesulfonamide: a Condensation Product of 4-Methylphenylsulfonyl Isocyanate and 1-Methyl-2-pyrrolidone

Acta Crystallographica Section C

1,996

52

10

2569

2570

10.1107/S0108270196006750

0.71073

MoKα

null

0.0549

null

0.0579

null

1.977

null

has coordinates

Fortes, A. G.; Johnstone, R. A. W.; Mahmood, S. N-(1-Methyl-2-pyrrolidinylidene)-p-toluenesulfonamide: a Condensation Product of 4-Methylphenylsulfonyl Isocyanate and 1-Methyl-2-pyrrolidone Acta Crystallographica Section C 52(10) (1996) 2569-2570

301,791

2025-08-18

23:15:27

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2,005,475

7.4346

0.001

15.8698

0.001

12.559

0.001

90

null

96.91

0.01

90

null

1,471

0.2

293

null

293

null

7

P 1 21/n 1

-P 2yn

14

trans-[bis(dimethylamino)bis(1-methylcytosine) platinum(II)]bis(tetrachlorothallate(III))

- C12 H24 Cl8 N8 O2 Pt Tl2 -

- C24 H48 Cl16 N16 O4 Pt2 Tl4 -

2

0.5

BM1076

Zangrando, E.; Randaccio, L.; Pichierri, F.; Lippert, B.; Holthenrich, D.

trans-Bis(methylamine-N)bis(1-methylcytosine-N^3^)platinum(II) Bis[tetrachlorothallate(III)]

Acta Crystallographica Section C

1,996

52

10

2468

2470

10.1107/S010827019600683X

0.71073

MoKα

0.0978

0.0351

null

0.0384

null

1.08

null

has coordinates

Zangrando, E.; Randaccio, L.; Pichierri, F.; Lippert, B.; Holthenrich, D. trans-Bis(methylamine-N)bis(1-methylcytosine-N^3^)platinum(II) Bis[tetrachlorothallate(III)] Acta Crystallographica Section C 52(10) (1996) 2468-2470

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/2/00/54/2005475.cif $ #-------------------------------------------------------------------...

2,005,476

6.768

0.012

10.675

0.014

12.384

0.012

81.37

0.05

77.01

0.05

74.77

0.12

837

2

150

2

150

2

null

4

P -1

-P 1

2

Maleimide

- C4 H3 N O2 -

- C32 H24 N8 O16 -

8

4

BM1088

Cox, P. J.; Parker, S. F.

Maleimide

Acta Crystallographica Section C

1,996

52

10

2578

2580

10.1107/S0108270196006841

0.71073

MoKα

0.1407

0.063

null

0.1715

0.1398

null

0.764

1.123

null

has coordinates

Cox, P. J.; Parker, S. F. Maleimide Acta Crystallographica Section C 52(10) (1996) 2578-2580

301,791

2025-08-18

23:15:27

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2,005,477

9.2065

0.0004

11.1298

0.0009

20.0264

0.0008

90

null

90

null

90

null

2,052

0.2

293

2

293

2

null

3

P b c n

-P 2n 2ab

60

- La Mo8 O14 -

- La8 Mo64 O112 -

8

1

BR1140

Kerihuel, G.; Tortelier, J.; Gougeon, P.

LaMo~8~O~14~

Acta Crystallographica Section C

1,996

52

10

2389

2393

10.1107/S010827019600532X

0.71073

MoKα

0.0562

0.0365

null

0.0816

0.0772

null

1.142

1.234

null

has coordinates

Kerihuel, G.; Tortelier, J.; Gougeon, P. LaMo~8~O~14~ Acta Crystallographica Section C 52(10) (1996) 2389-2393

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/2/00/54/2005477.cif $ #-------------------------------------------------------------------...

2,005,478

4.52

0.002

4.52

0.002

15.484

0.008

90

null

90

null

90

null

316.3

0.3

113

2

null

4

I 4/m m m

-I 4 2

139

- Ag0.64 Cs Mn1.18 Te2 -

- Ag1.28 Cs2 Mn2.36 Te4 -

2

0.0625

BR1142

Wu, E. J.; Pell, M. A.; Ibers, J. A.

CsAg~0.64~Mn~1.18~Te~2~

Acta Crystallographica Section C

1,996

52

10

2384

2385

10.1107/S0108270196006294

0.7093

MoKα~1~

null

0.0308

null

0.1182

null

2.392

null

has coordinates

Wu, E. J.; Pell, M. A.; Ibers, J. A. CsAg~0.64~Mn~1.18~Te~2~ Acta Crystallographica Section C 52(10) (1996) 2384-2385

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/2/00/54/2005478.cif $ #-------------------------------------------------------------------...

2,005,479

8.984

0.002

16.588

0.004

13.732

0.002

90

null

103.27

0.02

90

null

1,991.8

0.7

293

2

293

2

null

5

P 1 21/n 1

-P 2yn

14

3-hexanoyl-1-tosylindole

3-hexanoyl-1-(p-methylphenylsulphonyl)indole

- C21 H23 N O3 S -

- C84 H92 N4 O12 S4 -

4

1

CF1004

Mohialdin-Khaffaf, S.; Persaud, K. C.; Pritchard, R. G.

3-Hexanoyl-1-tosylindole. A Highly Stereospecific Preparation of 3-Alkyl-Substituted Indoles

Acta Crystallographica Section C

1,996

52

10

2607

2609

10.1107/S010827019600580X

0.71069

MoKα

0.2052

0.0659

null

0.3392

0.1973

null

1.078

1.222

null

has coordinates

Mohialdin-Khaffaf, S.; Persaud, K. C.; Pritchard, R. G. 3-Hexanoyl-1-tosylindole. A Highly Stereospecific Preparation of 3-Alkyl-Substituted Indoles Acta Crystallographica Section C 52(10) (1996) 2607-2609

301,791

2025-08-18

23:15:27

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4,322,162

12.124

0.004

12.124

0.004

8.13

0.003

90

null

90

null

120

null

1,034.9

0.6

293

2

293

2

null

5

P -3

-P 3

147

- H26 Mo8 N6 O44 Te8 -

- Mo8 N6 O44 Te8 -

1

0.166667

Vidyavathy; K. Vidyasagar

Hydrothermal Synthesis and Characterization of a Novel Two-Dimensional Tellurite of Molybdenum(VI), (NH4)6Mo8Te8O43.H2O

Inorganic Chemistry

1,999

38

3458

3462

10.1021/ic9901160

0.71073

MoKα

0.0656

0.0646

null

0.1638

0.1635

null

1.376

1.395

null

has coordinates

Vidyavathy; K. Vidyasagar Hydrothermal Synthesis and Characterization of a Novel Two-Dimensional Tellurite of Molybdenum(VI), (NH4)6Mo8Te8O43.H2O Inorganic Chemistry 38 (1999) 3458-3462

179,324

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:22:11 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179324 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/21/4322162.cif $ #-------------------------------------------------------------------...

2,005,480

13.2001

0.0012

19.4239

0.0015

15.1868

0.0013

90

null

90

null

90

null

3,893.9

0.6

297

null

297

null

5

P b c a

-P 2ac 2ab

61

Bis[N-2-propylsalicylideneamino]cobalt(II)

- C20 H24 Co N2 O2 -

- C160 H192 Co8 N16 O16 -

8

1

CF1056

Elerman, Y.; Kabak, M.; Tahir, M. N.

Bis(N-2-propylsalicylideneamino-N,O)cobalt(II)

Acta Crystallographica Section C

1,996

52

10

2434

2436

10.1107/S0108270196007111

0.71073

MoKα

null

0.035

null

0.04

null

1.27

null

has coordinates

Elerman, Y.; Kabak, M.; Tahir, M. N. Bis(N-2-propylsalicylideneamino-N,O)cobalt(II) Acta Crystallographica Section C 52(10) (1996) 2434-2436

301,791

2025-08-18

23:15:27

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2,005,481

4.8797

0.0011

12.155

0.001

14.7338

0.0016

68.364

0.01

86.482

0.012

78.77

0.011

796.7

0.2

295

null

5

P -1

-P 1

2

- C14 H10 N2 O11 Pb -

- C28 H20 N4 O22 Pb2 -

2

1

CF1064

Tahir, M. N.; Ülkü, D.; Mövsümov, E. M.

Aquabis(p-nitrosalicylato-O,O')lead(II)

Acta Crystallographica Section C

1,996

52

10

2436

2439

10.1107/S0108270196007123

0.71073

MoKα

null

0.027

null

0.029

null

0.88

null

has coordinates

Tahir, M. N.; Ülkü, D.; Mövsümov, E. M. Aquabis(p-nitrosalicylato-O,O')lead(II) Acta Crystallographica Section C 52(10) (1996) 2436-2439

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/2/00/54/2005481.cif $ #-------------------------------------------------------------------...

2,005,482

10.608

0.003

19.147

0.006

17.448

0.005

90

null

107.22

0.02

90

null

3,385

1.8

293

2

293

2

null

3

P 1 21/c 1

-P 2ybc

14

(+/-)-cis-1,2-O-Cyclohexylidene-3,4,5,6-tetra-O-benzyl myo-inositol

- C40 H44 O6 -

- C160 H176 O24 -

4

1

CF1070

Spiers, I. D.; Schwalbe, C. H.; Freeman, S.

3,4,5,6-Tetra-O-benzyl-cis-1,2-O-cyclohexylidene myo-Inositol

Acta Crystallographica Section C

1,996

52

10

2575

2578

10.1107/S0108270196005410

0.71069

MoKα

0.1479

0.0511

null

0.1513

0.1065

null

1.005

1.126

null

has coordinates

Spiers, I. D.; Schwalbe, C. H.; Freeman, S. 3,4,5,6-Tetra-O-benzyl-cis-1,2-O-cyclohexylidene myo-Inositol Acta Crystallographica Section C 52(10) (1996) 2575-2578

301,791

2025-08-18

23:15:27

#------------------------------------------------------------------------------ #$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/2/00/54/2005482.cif $ #-------------------------------------------------------------------...

2,005,483

21.519

0.003

5.5068

0.0004

16.422

0.002

90

null

128.692

0.012

90

null

1,518.9

0.4

293

2

293

2

null

4

C 1 2/c 1

-C 2yc

15

(3RS,6SR)-2,5-dimethoxy-3,6-diphenyl-3,6-dihydropyrazine

- C18 H18 N2 O2 -

- C72 H72 N8 O8 -

4

0.5

CF1094

Benecke, B.; Bolte, M.

trans- and cis-2,5-Dimethoxy-3,6-diphenyl-3,6-dihydropyrazine

Acta Crystallographica Section C

1,996

52

10

2586

2588

10.1107/S0108270196006634

0.71069

MoKα

0.0588

0.0416

null

0.1366

0.1079

null

1.11

1.175

null

has coordinates

Benecke, B.; Bolte, M. trans- and cis-2,5-Dimethoxy-3,6-diphenyl-3,6-dihydropyrazine Acta Crystallographica Section C 52(10) (1996) 2586-2588

301,791

2025-08-18

23:15:27

#------------------------------------------------------------------------------ #$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/2/00/54/2005483.cif $ #-------------------------------------------------------------------...

2,005,484

15.7468

0.0004

17.3677

0.0005

11.5306

0.0004

90

null

90

null

90

null

3,153.45

0.16

293

2

293

2

null

4

P b c a

-P 2ac 2ab

61

(3RS,6RS)-2,5-dimethoxy-3,6-diphenyl-3,6-dihydropyrazine

- C18 H18 N2 O2 -

- C144 H144 N16 O16 -

8

1

CF1094

Benecke, B.; Bolte, M.

trans- and cis-2,5-Dimethoxy-3,6-diphenyl-3,6-dihydropyrazine

Acta Crystallographica Section C

1,996

52

10

2586

2588

10.1107/S0108270196006634

1.5418

CuKα

0.0415

0.0387

null

0.1055

0.102

null

1.079

1.085

null

has coordinates

Benecke, B.; Bolte, M. trans- and cis-2,5-Dimethoxy-3,6-diphenyl-3,6-dihydropyrazine Acta Crystallographica Section C 52(10) (1996) 2586-2588

301,791

2025-08-18

23:15:27

#------------------------------------------------------------------------------ #$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/2/00/54/2005484.cif $ #-------------------------------------------------------------------...

2,005,485

9.709

0.002

15.482

0.002

18.267

0.003

90

null

96.2

0.01

90

null

2,729.7

0.8

293

2

293

2

null

7

P 1 21/c 1

-P 2ybc

14

cis-Dichloro(triethylphosphine-P)[tris(2,6-difluorophenyl)phosphite-P] platinum(II)

- C24 H24 Cl2 F6 O3 P2 Pt -

- C96 H96 Cl8 F24 O12 P8 Pt4 -

4

1

CF1103

Fawcett, J.; Holloway, J. H.; Hope, E. G.; Saunders, G. C.; Atherton, M. J.

cis-Dichloro(triethylphosphine-P)[tris(2,6-difluorophenyl)phosphite-P]platinum(II)

Acta Crystallographica Section C

1,996

52

10

2463

2464

10.1107/S0108270196007160

0.71073

MoKα

0.0428

0.0293

null

0.0669

0.0616

null

1.043

1.067

null

has coordinates

Fawcett, J.; Holloway, J. H.; Hope, E. G.; Saunders, G. C.; Atherton, M. J. cis-Dichloro(triethylphosphine-P)[tris(2,6-difluorophenyl)phosphite-P]platinum(II) Acta Crystallographica Section C 52(10) (1996) 2463-2464

176,759

2020-10-21

18:00:00

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2,005,486

6.873

0.001

7.2268

0.0014

7.471

0.002

80.41

0.02

80.27

0.02

67.121

0.01

334.88

0.12

294

1

294

1

null

4

P -1

-P 1

2

Pyridine-2,5-dimethanol

- C7 H9 N O2 -

- C14 H18 N2 O4 -

2

1

CF1110

Bell, W.; Coupar, P. I.; Ferguson, G.; Glidewell, C.

Multiple Hydrogen Bonds in Pyridine-2,6-dimethanol and Benzene-1,3,5-trimethanol

Acta Crystallographica Section C

1,996

52

10

2520

2524

10.1107/S0108270196006014

0.7107

MoKα

0.106

0.0483

null

0.1328

0.1182

null

0.969

1.203

null

has coordinates

Bell, W.; Coupar, P. I.; Ferguson, G.; Glidewell, C. Multiple Hydrogen Bonds in Pyridine-2,6-dimethanol and Benzene-1,3,5-trimethanol Acta Crystallographica Section C 52(10) (1996) 2520-2524

301,791

2025-08-18

23:15:27

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2,005,487

4.566

0.0003

8.1331

0.0005

23.173

0.003

90

null

90

null

90

null

860.55

0.14

294

1

294

1

null

3

P 21 21 21

P 2ac 2ab

19

Benzene-1,3,5-trimethanol

- C9 H12 O3 -

- C36 H48 O12 -

4

1

CF1110

Bell, W.; Coupar, P. I.; Ferguson, G.; Glidewell, C.

Multiple Hydrogen Bonds in Pyridine-2,6-dimethanol and Benzene-1,3,5-trimethanol

Acta Crystallographica Section C

1,996

52

10

2520

2524

10.1107/S0108270196006014

0.7107

MoKα

0.0921

0.0434

null

0.1004

0.0889

null

1.05

1.244

null

has coordinates

Bell, W.; Coupar, P. I.; Ferguson, G.; Glidewell, C. Multiple Hydrogen Bonds in Pyridine-2,6-dimethanol and Benzene-1,3,5-trimethanol Acta Crystallographica Section C 52(10) (1996) 2520-2524

301,791

2025-08-18

23:15:27

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2,005,488

8.1765

0.001

8.1765

null

26.34

0.002

90

null

90

null

120

null

1,525

0.2

294

1

294

1

null

4

P 31 2 1

P 31 2"

152

Ferrocene-1,1'-diylbis(2-phenylethanedione)

- C26 H18 Fe O4 -

- C78 H54 Fe3 O12 -

3

0.5

CF1133

Ferguson, G.; Glidewell, C.; Royles, B. J. L.; Smith, D. M.

1,1'-Ferrocenediylbis(2-phenylethanedione): a Three-Dimensional Network Generated by Short C—H···O Hydrogen Bonds

Acta Crystallographica Section C

1,996

52

10

2465

2468

10.1107/S0108270196009699

0.7107

MolybdenumKα

0.0681

0.0487

null

0.1157

0.1074

null

1.065

1.134

null

has coordinates

Ferguson, G.; Glidewell, C.; Royles, B. J. L.; Smith, D. M. 1,1'-Ferrocenediylbis(2-phenylethanedione): a Three-Dimensional Network Generated by Short C—H···O Hydrogen Bonds Acta Crystallographica Section C 52(10) (1996) 2465-2468

192,286

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-02-19 19:16:00 +0200 (Sun, 19 Feb 2017) $ #$Revision: 192286 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/54/2005488.cif $ #-------------------------------------------------------------------...

2,005,489

7.529

0.004

20.689

0.012

30.469

0.016

90

null

90

null

90

null

4,746

4

302.3

null

5

P 21 21 21

P 2ac 2ab

19

- C13 H16 N4 O4 S2 -

- C156 H192 N48 O48 S24 -

12

3

DE1032

Biswas, G.; Chandra, T.; Garg, N.; Bhakuni, D. S.; Pramanik, A.; Avasthi, K.; Maulik, P. R.

A [3.1.0]-Fused 2',3'-Modified β-D-Pyrazolo[3,4-d]pyrimidine Nucleoside

Acta Crystallographica Section C

1,996

52

10

2563

2566

10.1107/S0108270196004015

0.71073

MoKα

null

0.052

null

0.087

null

1.106

null

has coordinates

Biswas, G.; Chandra, T.; Garg, N.; Bhakuni, D. S.; Pramanik, A.; Avasthi, K.; Maulik, P. R. A [3.1.0]-Fused 2',3'-Modified β-D-Pyrazolo[3,4-d]pyrimidine Nucleoside Acta Crystallographica Section C 52(10) (1996) 2563-2566

301,791

2025-08-18

23:15:27

#------------------------------------------------------------------------------ #$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/2/00/54/2005489.cif $ #-------------------------------------------------------------------...

2,005,490

13.616

0.001

11.977

0.002

15.804

0.001

90

null

111.09

0.02

90

null

2,404.7

0.6

293

null

4

P 1 21/n 1

-P 2yn

14

- C26 H31 N O4 -

- C104 H124 N4 O16 -

4

1

DE1036

Gunasekaran, K.; Velmurugan, D.; Murugan, P.; Ramakrishnan, V. T.; Panneerselvam, K.; Soriano-García, M.

3,4,6,7,9,10-Hexahydro-3,3,6,6-tetramethyl-1,8(2H,5H)-dioxo-10-phenyl-9-acridinylmethyl Acetate

Acta Crystallographica Section C

1,996

52

10

2609

2612

10.1107/S010827019600652X

1.54184

CuKα

null

0.0516

null

0.134

null

0.903

null

has coordinates

Gunasekaran, K.; Velmurugan, D.; Murugan, P.; Ramakrishnan, V. T.; Panneerselvam, K.; Soriano-García, M. 3,4,6,7,9,10-Hexahydro-3,3,6,6-tetramethyl-1,8(2H,5H)-dioxo-10-phenyl-9-acridinylmethyl Acetate Acta Crystallographica Section C 52(10) (1996) 2609-2612

301,791

2025-08-18

23:15:27

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2,005,491

9.673

0.001

6.992

0.003

22.867

0.003

90

null

90

null

90

null

1,546.6

0.7

293

null

4

P b c a

-P 2ac 2ab

61

Trieuropium Boron Disilicate

- B Eu3 O10 Si2 -

- B8 Eu24 O80 Si16 -

8

1

DU1155

Chi, L.; Chen, H.; Deng, S.; Zhuang, H.; Huang, J.

A New Europium Borosilicate, Eu~3~BSi~2~O~10~

Acta Crystallographica Section C

1,996

52

10

2385

2387

10.1107/S0108270196005069

0.71073

MoKα

null

0.0527

null

0.0608

null

0.61

null

has coordinates

Chi, L.; Chen, H.; Deng, S.; Zhuang, H.; Huang, J. A New Europium Borosilicate, Eu~3~BSi~2~O~10~ Acta Crystallographica Section C 52(10) (1996) 2385-2387

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/2/00/54/2005491.cif $ #-------------------------------------------------------------------...

2,005,492

13.032

0.004

11.948

0.004

16.295

0.005

90

null

103.83

0.02

90

null

2,463.7

1.4

293

2

293

2

null

7

I 1 2/a 1

-I 2ya

15

catena-poly[-μ-aqua-bis(trifluoromethanesulphonatosilver-μ- (1,4-dicyanobenzene-N:N'))]

- C18 H10 Ag2 F6 N4 O7 S2 -

- C72 H40 Ag8 F24 N16 O28 S8 -

4

0.5

FG1114

Venkataraman, D.; Gardner, G. B.; Covey, A. C.; Lee, S.; Moore, J. S.

Silver(I) Complexes of 1,4-Dicyanobenzene

Acta Crystallographica Section C

1,996

52

10

2416

2419

10.1107/S0108270196006099

0.71073

MoKα

0.0476

0.0318

null

0.0801

0.073

null

1.065

1.103

null

has coordinates

Venkataraman, D.; Gardner, G. B.; Covey, A. C.; Lee, S.; Moore, J. S. Silver(I) Complexes of 1,4-Dicyanobenzene Acta Crystallographica Section C 52(10) (1996) 2416-2419

249,787

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2020-03-27 12:18:32 +0200 (Fri, 27 Mar 2020) $ #$Revision: 249787 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/54/2005492.cif $ #-------------------------------------------------------------------...

2,005,493

12.165

0.003

13.296

0.009

15.175

0.008

90

null

90

0.001

90

0.001

2,454.7

2.1

293

2

null

7

C m c a

-C 2ac 2

64

- C8 H6 Ag F6 N2 O P -

- C64 H48 Ag8 F48 N16 O8 P8 -

8

null

A New Europium Borosilicate, Eu~3~BSi~2~O~10~ Silver(I) Complexes of 1,4-Dicyanobenzene

Acta Crystallographica C

1,996

52

2385

2387

null

has coordinates

A New Europium Borosilicate, Eu~3~BSi~2~O~10~ Silver(I) Complexes of 1,4-Dicyanobenzene Acta Crystallographica C 52 (1996) 2385-2387

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/2/00/54/2005493.cif $ #-------------------------------------------------------------------...

4,322,161

10.2557

0.0015

19.818

0.003

34.801

0.005

90

null

93.273

0.004

90

null

7,061.7

1.8

90

2

90

2

null

6

C 1 2/c 1

-C 2yc

15

- C51 H32 Fe N O13 S32 -

- C204 H128 Fe4 N4 O52 S128 -

4

0.5

Scott S. Turner; Peter Day; K. M. Abdul Malik; Michael B. Hursthouse; Simon J. Teat; Elizabeth J. MacLean; Lee Martin; Samual A. French

Effect of Included Solvent Molecules on the Physical Properties of the Paramagnetic Charge Transfer Salts β''-(bedt-ttf)4[(H3O)Fe(C2O4)3].Solvent (bedt-ttf = Bis(ethylenedithio)tetrathiafulvalene)

Inorganic Chemistry

1,999

38

3543

3549

10.1021/ic990102u

0.6883

0.1509

0.124

null

0.2952

0.3087

null

1.278

null

has coordinates,has disorder

Scott S. Turner; Peter Day; K. M. Abdul Malik; Michael B. Hursthouse; Simon J. Teat; Elizabeth J. MacLean; Lee Martin; Samual A. French Effect of Included Solvent Molecules on the Physical Properties of the Paramagnetic Charge Transfer Salts β''-(bedt-ttf)4[(H3O)Fe(C2O4)3].Solvent (bedt-ttf = Bis(ethylenedithio)tetrath...

179,324

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:22:11 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179324 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/21/4322161.cif $ #-------------------------------------------------------------------...

2,005,494

7.313

0.002

9.057

0.002

6.994

0.002

107.63

0.02

117.6

0.02

74.81

0.002

387.16

0.19

293

2

293

2

null

6

P -1

-P 1

2

Trans-Dichlorobis(creatinine)platinum(II) Dyhydrate

- C8 H18 Cl2 N6 O4 Pt -

1

0.5

FG1117

Ramos Silva, M.; Paixão, J. A.; Matos Beja, A.; Alte da Veiga, L.; Martín-Gil, J.; Martín-Gil, F. J.

A New Allotropic Form of trans-Dichlorobis(creatinine)platinum(II) Dihydrate

Acta Crystallographica Section C

1,996

52

10

2450

2452

10.1107/S0108270196008086

0.71073

MoKα

0.0851

0.0388

null

0.0551

0.0478

null

0.995

1.023

null

has coordinates

Ramos Silva, M.; Paixão, J. A.; Matos Beja, A.; Alte da Veiga, L.; Martín-Gil, J.; Martín-Gil, F. J. A New Allotropic Form of trans-Dichlorobis(creatinine)platinum(II) Dihydrate Acta Crystallographica Section C 52(10) (1996) 2450-2452

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/2/00/54/2005494.cif $ #-------------------------------------------------------------------...

2,005,495

13.193

0.006

14.523

0.007

23.784

0.009

82.26

0.04

102.89

0.03

109.25

0.03

4,185

3

295

null

295

null

7

P -1

-P 1

2

- C75 H67 N O P3 Ta Te10 -

- C75 N O P3 Ta Te10 -

- C150 N2 O2 P6 Ta2 Te20 -

2

1

FG1123

Flomer, W. A.; Kolis, J. W.; Pennington, W. T.

Tris(tetraphenylphosphonium) Decatelluriumtantalide Dimethylformamide (1/1), a Tetraphenylphosphonium Salt of TaTe~10~^3{-^}

Acta Crystallographica Section C

1,996

52

10

2445

2448

10.1107/S0108270196005847

0.71073

MoKα

null

0.0598

null

0.0709

null

1.502

null

has coordinates

Flomer, W. A.; Kolis, J. W.; Pennington, W. T. Tris(tetraphenylphosphonium) Decatelluriumtantalide Dimethylformamide (1/1), a Tetraphenylphosphonium Salt of TaTe~10~^3{-^} Acta Crystallographica Section C 52(10) (1996) 2445-2448

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/2/00/54/2005495.cif $ #-------------------------------------------------------------------...

2,005,496

13.555

0.003

13.059

0.004

18.919

0.002

90

null

107.58

0.01

90

null

3,192.5

1.3

293.2

null

293.2

null

4

C 1 2/c 1

-C 2yc

15

- C32 H54 O Sr -

- C128 H216 O4 Sr4 -

4

0.5

FG1143

Burkey, D. J.; Hanusa, T. P.

(Tetrahydrofuran-O)bis(η^5^-1,2,4-triisopropylcyclopentadienyl)strontium

Acta Crystallographica Section C

1,996

52

10

2452

2454

10.1107/S0108270196007330

1.5418

CuKα

null

0.0328

null

0.042

null

1.58

null

has coordinates

Burkey, D. J.; Hanusa, T. P. (Tetrahydrofuran-O)bis(η^5^-1,2,4-triisopropylcyclopentadienyl)strontium Acta Crystallographica Section C 52(10) (1996) 2452-2454

208,362

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2018-06-14 06:45:12 +0300 (Thu, 14 Jun 2018) $ #$Revision: 208362 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/54/2005496.cif $ #-------------------------------------------------------------------...

2,005,497

17.754

0.009

16.129

0.007

14.99

0.005

90

null

103.33

0.03

90

null

4,177

3

293

2

293

2

null

5

C 1 2/c 1

-C 2yc

15

- C50 H37 Hf N5 O4 -

- C200 H148 Hf4 N20 O16 -

4

0.5

FG1145

Huhmann, J. L.; Rath, N. P.; Corey, J. Y.

(Tetraphenylporphyrinato)hafnium(IV) Diacetate Acetonitrile Solvate

Acta Crystallographica Section C

1,996

52

10

2486

2488

10.1107/S0108270196007780

0.71073

MoKα

0.1375

0.078

null

0.1096

0.092

null

1.376

1.527

null

has coordinates

Huhmann, J. L.; Rath, N. P.; Corey, J. Y. (Tetraphenylporphyrinato)hafnium(IV) Diacetate Acetonitrile Solvate Acta Crystallographica Section C 52(10) (1996) 2486-2488

194,538

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-03-27 08:13:23 +0300 (Mon, 27 Mar 2017) $ #$Revision: 194538 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/54/2005497.cif $ #-------------------------------------------------------------------...

2,005,498

9.162

0.002

10.808

0.003

11.627

0.003

102.01

0.01

103.27

0.01

113.63

0.01

966.8

0.4

293

2

293

2

null

6

P -1

-P 1

2

Aqua(2,2'-bipyridyl-N,N')(thiodiacetato-O,O',S)zinc(II) tetrahydrate

- C14 H22 N2 O9 S Zn -

- C28 H44 N4 O18 S2 Zn2 -

2

1

FG1160

Baggio, R.; Perec, M.; Garland, M. T.

Aqua(2,2'-bipyridyl-N,N')(thiodiacetato-O,O',S)zinc(II) Tetrahydrate

Acta Crystallographica Section C

1,996

52

10

2457

2460

10.1107/S0108270196007329

0.71073

MoKα

0.0242

0.0221

null

0.0583

0.0575

null

1.036

1.07

null

has coordinates

Baggio, R.; Perec, M.; Garland, M. T. Aqua(2,2'-bipyridyl-N,N')(thiodiacetato-O,O',S)zinc(II) Tetrahydrate Acta Crystallographica Section C 52(10) (1996) 2457-2460

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/2/00/54/2005498.cif $ #-------------------------------------------------------------------...

2,005,499

8.1649

0.0009

8.6999

0.0013

8.9848

0.0011

90

null

110.744

0.009

90

null

596.85

0.14

288

2

288

2

null

4

P 1 21/n 1

-P 2yn

14

1,1'-di(2-propanone)-2,2'-biimidazole

- C6 H7 N2 O -

- C12 H14 N4 O2 -

- C24 H28 N8 O4 -

2

0.5

FG1166

Secondo, P. M.; Barnett, W. M.; Collier, H. L.; Baughman, R. G.

1,1'-Diketone and 1,1'-Dinitrile Derivatives of 2,2'-Biimidazole

Acta Crystallographica Section C

1,996

52

10

2636

2638

10.1107/S0108270196005823

0.71073

MoKα

0.0521

0.0435

null

0.1401

0.133

null

1.146

1.2

null

has coordinates

Secondo, P. M.; Barnett, W. M.; Collier, H. L.; Baughman, R. G. 1,1'-Diketone and 1,1'-Dinitrile Derivatives of 2,2'-Biimidazole Acta Crystallographica Section C 52(10) (1996) 2636-2638

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/2/00/54/2005499.cif $ #-------------------------------------------------------------------...

2,005,500

7.1044

0.0009

5.259

0.0005

13.421

0.002

90

null

99.646

0.01

90

null

494.35

0.11

288

2

288

2

null

3

P 1 21/c 1

-P 2ybc

14

1,1'-di(cyanomethyl)-2,2'-biimidazole

- C5 H4 N3 -

- C10 H8 N6 -

- C20 H16 N12 -

2

0.5

FG1166

Secondo, P. M.; Barnett, W. M.; Collier, H. L.; Baughman, R. G.

1,1'-Diketone and 1,1'-Dinitrile Derivatives of 2,2'-Biimidazole

Acta Crystallographica Section C

1,996

52

10

2636

2638

10.1107/S0108270196005823

0.71073

MoKα

0.042

0.0367

null

0.1034

0.0972

null

1.058

1.086

null

has coordinates

Secondo, P. M.; Barnett, W. M.; Collier, H. L.; Baughman, R. G. 1,1'-Diketone and 1,1'-Dinitrile Derivatives of 2,2'-Biimidazole Acta Crystallographica Section C 52(10) (1996) 2636-2638

176,759

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2,005,501

11.3869

0.0003

12.6938

0.0004

12.8468

0.0004

62.04

0.001

74.175

0.001

63.795

0.001

1,466.53

0.08

203

2

203

2

null

6

P -1

-P 1

2

Monospiro(1,2-phenylenedioxy)tetrakis(parafluorophenoxy)cyclotriphosphazene

- C30 H20 F4 N3 O6 P3 -

- C60 H40 F8 N6 O12 P6 -

2

1

FG1172

Vij, A.; Staples, R. J.; Kirchmeier, R. L.; Shreeve, J. M.

Monospiroaryloxyphosphazenes: p-Fluorophenoxy Derivatives Containing the 1,2-Phenylenedioxy and 2,3-Naphthalenedioxy Groups

Acta Crystallographica Section C

1,996

52

10

2515

2520

10.1107/S0108270196005859

0.71073

MoKα

0.0597

0.0454

null

0.1157

0.1051

null

1.037

1.046

null

has coordinates

Vij, A.; Staples, R. J.; Kirchmeier, R. L.; Shreeve, J. M. Monospiroaryloxyphosphazenes: p-Fluorophenoxy Derivatives Containing the 1,2-Phenylenedioxy and 2,3-Naphthalenedioxy Groups Acta Crystallographica Section C 52(10) (1996) 2515-2520

301,791

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2,005,502

8.1325

0.0001

26.5942

0.0003

29.8727

0.0005

90

null

90

null

90

null

6,460.79

0.15

203

2

203

2

null

6

P b c a

-P 2ac 2ab

61

Monospiro(2,3-naphthalenedioxy)tetrakis(parafluorophenoxy)cyclotriphosphazene

- C34 H22 F4 N3 O6 P3 -

- C272 H176 F32 N24 O48 P24 -

8

1

FG1172

Vij, A.; Staples, R. J.; Kirchmeier, R. L.; Shreeve, J. M.

Monospiroaryloxyphosphazenes: p-Fluorophenoxy Derivatives Containing the 1,2-Phenylenedioxy and 2,3-Naphthalenedioxy Groups

Acta Crystallographica Section C

1,996

52

10

2515

2520

10.1107/S0108270196005859

0.71073

MoKα

0.0777

0.0468

null

0.1125

0.0818

null

1.085

1.149

null

has coordinates

Vij, A.; Staples, R. J.; Kirchmeier, R. L.; Shreeve, J. M. Monospiroaryloxyphosphazenes: p-Fluorophenoxy Derivatives Containing the 1,2-Phenylenedioxy and 2,3-Naphthalenedioxy Groups Acta Crystallographica Section C 52(10) (1996) 2515-2520

301,791

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2,005,503

9.676

0.002

6.579

0.002

11.215

0.002

90

null

90

null

90

null

713.9

0.3

213

2

213

2

null

4

P n m a

-P 2ac 2n

62

3-Hydroxy-2-methyl-4H-pyran-4-on-4-ium Chloride

- C6 H7 Cl O3 -

- C24 H28 Cl4 O12 -

4

0.5

FG1175

Bilodeau, D.; Beauchamp, A. L.

Maltol Hydrochloride

Acta Crystallographica Section C

1,996

52

10

2633

2636

10.1107/S0108270196005550

1.54056

CuKα

0.0337

0.0267

null

0.0713

0.0689

null

0.973

1.063

null

has coordinates

Bilodeau, D.; Beauchamp, A. L. Maltol Hydrochloride Acta Crystallographica Section C 52(10) (1996) 2633-2636

176,759

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2,005,504

12.846

0.002

13.608

0.002

11.146

0.001

90

null

91.89

0.01

90

null

1,947.4

0.5

296

2

296

2

null

3

C 1 2/c 1

-C 2yc

15

(E)-2-Acetylcinnamic Acid

(E)-2-acetyl-3-phenylpropenoic acid

- C11 H10 O3 -

- C88 H80 O24 -

8

1

FG1176

Coté, M. L.; Thompson, H. W.; Lalancette, R. A.; Williams, IV, J. A.

(E)-2-Acetylcinnamic Acid: Hydrogen-Bonding Pattern of an α,β-Unsaturated β'-Keto Acid

Acta Crystallographica Section C

1,996

52

10

2612

2614

10.1107/S0108270196005860

0.71073

MoKα

0.0803

0.0436

null

0.1197

0.1081

null

0.858

1.055

null

has coordinates

Coté, M. L.; Thompson, H. W.; Lalancette, R. A.; Williams, IV, J. A. (E)-2-Acetylcinnamic Acid: Hydrogen-Bonding Pattern of an α,β-Unsaturated β'-Keto Acid Acta Crystallographica Section C 52(10) (1996) 2612-2614

176,759

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2,005,505

9.519

0.003

11.446

0.004

11.65

0.004

108.67

0.03

104.86

0.03

94.68

0.03

1,143.6

0.7

178

2

178

2

null

5

P -1

-P 1

2

Difluorobis(diphenylphosphino)methane disulfide

- C25 H20 F2 P2 S2 -

- C50 H40 F4 P4 S4 -

2

1

FG1184

Jones, P. G.; Bembenek, E.

Derivatives of Bis(diphenylphosphino)difluoromethane: the Disulfide Ph~2~P(= S)CF~2~P(= S)Ph~2~ and the Bis[chlorogold(I)] Complex Ph~2~P(AuCl)CF~2~P(AuCl)Ph~2~

Acta Crystallographica Section C

1,996

52

10

2396

2399

10.1107/S0108270196004404

0.71073

MoKα

0.0562

0.0383

null

0.105

0.0937

null

1.021

1.064

null

has coordinates

Jones, P. G.; Bembenek, E. Derivatives of Bis(diphenylphosphino)difluoromethane: the Disulfide Ph~2~P(= S)CF~2~P(= S)Ph~2~ and the Bis[chlorogold(I)] Complex Ph~2~P(AuCl)CF~2~P(AuCl)Ph~2~ Acta Crystallographica Section C 52(10) (1996) 2396-2399

301,791

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4,322,160

10.267

0.002

19.845

0.004

34.907

0.007

90

null

93.22

0.03

90

null

7,101

2

150

2

150

2

null

6

C 1 2/c 1

-C 2yc

15

- C48.5 H36.5 Fe N0.5 O13 S32 -

- C194 H146 Fe4 N2 O52 S128 -

4

0.5

Scott S. Turner; Peter Day; K. M. Abdul Malik; Michael B. Hursthouse; Simon J. Teat; Elizabeth J. MacLean; Lee Martin; Samual A. French

Effect of Included Solvent Molecules on the Physical Properties of the Paramagnetic Charge Transfer Salts β''-(bedt-ttf)4[(H3O)Fe(C2O4)3].Solvent (bedt-ttf = Bis(ethylenedithio)tetrathiafulvalene)

Inorganic Chemistry

1,999

38

3543

3549

10.1021/ic990102u

0.71069

MoKα

0.0974

0.0606

null

0.1832

0.1657

null

0.983

1.16

null

has coordinates

Scott S. Turner; Peter Day; K. M. Abdul Malik; Michael B. Hursthouse; Simon J. Teat; Elizabeth J. MacLean; Lee Martin; Samual A. French Effect of Included Solvent Molecules on the Physical Properties of the Paramagnetic Charge Transfer Salts β''-(bedt-ttf)4[(H3O)Fe(C2O4)3].Solvent (bedt-ttf = Bis(ethylenedithio)tetrath...

176,467

2020-10-21

18:00:00

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2,005,506

12.998

0.004

13.719

0.003

13.873

0.003

90

null

90

null

90

null

2,473.8

1.1

178

2

178

2

null

6

P 21 21 21

P 2ac 2ab

19

Difluorobis(diphenylphosphino)methane bis(chlorogold(I))

- C25 H20 Au2 Cl2 F2 P2 -

- C100 H80 Au8 Cl8 F8 P8 -

4

1

FG1184

Jones, P. G.; Bembenek, E.

Derivatives of Bis(diphenylphosphino)difluoromethane: the Disulfide Ph~2~P(= S)CF~2~P(= S)Ph~2~ and the Bis[chlorogold(I)] Complex Ph~2~P(AuCl)CF~2~P(AuCl)Ph~2~

Acta Crystallographica Section C

1,996

52

10

2396

2399

10.1107/S0108270196004404

0.71073

MoKα

0.0598

0.0405

null

0.0945

0.0864

null

0.974

1.001

null

has coordinates

Jones, P. G.; Bembenek, E. Derivatives of Bis(diphenylphosphino)difluoromethane: the Disulfide Ph~2~P(= S)CF~2~P(= S)Ph~2~ and the Bis[chlorogold(I)] Complex Ph~2~P(AuCl)CF~2~P(AuCl)Ph~2~ Acta Crystallographica Section C 52(10) (1996) 2396-2399

176,759

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2,005,507

10.6814

0.0015

20.22

0.005

11.467

0.002

90

null

90

null

90

null

2,476.6

0.8

293

2

293

2

null

6

P n a 21

P 2c -2n

33

Chlorotris-(p-methylsulphonylphenyl)Tin(IV)

- C21 H21 Cl O6 S3 Sn -

- C84 H84 Cl4 O24 S12 Sn4 -

4

1

FG1190

Wharf, I.; Lebuis, A.-M.; Lamparski, H.

Chlorotris(p-methylsulfonylphenyl)tin(IV)

Acta Crystallographica Section C

1,996

52

10

2477

2480

10.1107/S0108270196007792

0.7093

MolybdenumKα

0.075

0.0478

null

0.0827

0.0755

null

1.027

1.106

null

has coordinates

Wharf, I.; Lebuis, A.-M.; Lamparski, H. Chlorotris(p-methylsulfonylphenyl)tin(IV) Acta Crystallographica Section C 52(10) (1996) 2477-2480

176,759

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2,005,508

7.3431

0.0009

15.305

0.002

14.475

0.003

90

null

97.25

0.02

90

null

1,613.8

0.4

143

2

143

2

null

5

P 1 21/c 1

-P 2ybc

14

Chlorobis(methylcyclopentadienyl)pentafluorophenyltitanium(IV)

- C18 H14 Cl F5 Ti -

- C72 H56 Cl4 F20 Ti4 -

4

1

FG1195

Kienitz, C. O.; Thöne, C.; Jones, P. G.

Chlorobis(η^5^-methylcyclopentadienyl)(2,3,4,5,6-pentafluorophenyl)titanium(IV)

Acta Crystallographica Section C

1,996

52

10

2402

2404

10.1107/S0108270196006981

0.71073

MoKα

0.0468

0.0401

null

0.1236

0.108

null

1.068

1.071

null

has coordinates

Kienitz, C. O.; Thöne, C.; Jones, P. G. Chlorobis(η^5^-methylcyclopentadienyl)(2,3,4,5,6-pentafluorophenyl)titanium(IV) Acta Crystallographica Section C 52(10) (1996) 2402-2404

176,759

2020-10-21

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2,005,509

9.657

0.004

10.749

0.003

10.996

0.003

90

null

110.44

0.03

90

null

1,069.6

0.6

166

2

166

2

null

3

P 1 21/n 1

-P 2yn

14

1-5-bis(ferrocenyl)naphthalene

- C30 H24 Fe2 -

- C60 H48 Fe4 -

2

0.5

FG1200

McAdam, C. J.; Robinson, B. H.; Simpson, J.

1,5-Diferrocenylnaphthalene

Acta Crystallographica Section C

1,996

52

10

2404

2406

10.1107/S0108270196007305

0.71073

MoKα

0.0559

0.0382

null

0.0892

0.0854

null

0.901

1.025

null

has coordinates

McAdam, C. J.; Robinson, B. H.; Simpson, J. 1,5-Diferrocenylnaphthalene Acta Crystallographica Section C 52(10) (1996) 2404-2406

176,759

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2,005,510

8.1522

0.0012

8.891

0.0008

8.9605

0.0008

82.552

0.008

89.561

0.004

63.421

0.004

575

0.11

173

2

173

2

null

6

P 1

1

(cis-1,2-Dichlorovinyl)bis(dimethylglyoximato-N,N')(pyridine)cobalt(III) Chloroform Solvate

- C16 H21 Cl5 Co N5 O4 -

1

FG1202

Jones, P. G.; Yang, L.; Steinborn, D.

(cis-1,2-Dichlorovinyl)bis(dimethylglyoximato-N,N')(pyridine-N)cobalt(III) Chloroform Solvate, [Co(dmgH)~2~(py)(CCl=CHCl)].CHCl~3~

Acta Crystallographica Section C

1,996

52

10

2399

2402

10.1107/S0108270196007810

0.71073

MoKα

0.0303

0.0291

null

0.0752

0.0746

null

1.053

1.063

null

has coordinates,has disorder

Jones, P. G.; Yang, L.; Steinborn, D. (cis-1,2-Dichlorovinyl)bis(dimethylglyoximato-N,N')(pyridine-N)cobalt(III) Chloroform Solvate, [Co(dmgH)~2~(py)(CCl=CHCl)].CHCl~3~ Acta Crystallographica Section C 52(10) (1996) 2399-2402

176,759

2020-10-21

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2,005,511

12.013

0.002

10.61

0.002

15.634

0.003

90

null

103.08

0.03

90

null

1,941

0.7

243

2

243

null

5

P 1 21 1

P 2yb

4

Bis(tert-butylthio)germanium-Imide trimer

- C24 H57 Ge3 N3 S6 -

- C48 H114 Ge6 N6 S12 -

2

1

FG1205

George, C.; Purdy, A. P.

Bis(tert-butylthiolato-S)germanium–Imide Trimer

Acta Crystallographica Section C

1,996

52

10

2489

2491

10.1107/S0108270196007822

1.54178

CuKα

0.0582

0.0512

null

0.132

0.1258

null

1.038

1.043

null

has coordinates,has disorder

George, C.; Purdy, A. P. Bis(tert-butylthiolato-S)germanium–Imide Trimer Acta Crystallographica Section C 52(10) (1996) 2489-2491

301,791

2025-08-18

23:15:27

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2,005,512

15.7353

0.002

15.7353

null

5.2803

0.0017

90

null

90

null

90

null

1,307.4

0.5

null

298

null

3

I -4

82

benzenecarboximidamide

- C7 H8 N2 -

- C56 H64 N16 -

8

1

HA1142

Barker, J.; Phillips, P. R.; Wallbridge, M. G. H.; Powell, H. R.

Benzamidine

Acta Crystallographica Section C

1,996

52

10

2617

2619

10.1107/S0108270196006282

1.5418

CuKα

null

0.034

null

0.029

null

0.957

null

has coordinates

Barker, J.; Phillips, P. R.; Wallbridge, M. G. H.; Powell, H. R. Benzamidine Acta Crystallographica Section C 52(10) (1996) 2617-2619

301,791

2025-08-18

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2,005,513

10.552

0.001

24.993

0.0018

7.97

0.001

90

null

90

null

90

null

2,101.9

0.4

293

2

293

2

null

5

P 21 21 21

P 2ac 2ab

19

α-5-Adamantyl-4'-thio-2'-deoxyuridine methanol solvate

- C20 H30 N2 O5 S -

- C80 H120 N8 O20 S4 -

4

1

HA1160

Sun, M.; Basnak, I.; Hamor, T. A.; Walker, R. T.

α-5-Adamantyl-4'-thio-2'-deoxyuridine Methanol Solvate

Acta Crystallographica Section C

1,996

52

10

2556

2558

10.1107/S010827019600529X

0.71069

MoKα

0.038

0.0345

null

0.1049

0.0954

null

1.049

0.963

null

has coordinates

Sun, M.; Basnak, I.; Hamor, T. A.; Walker, R. T. α-5-Adamantyl-4'-thio-2'-deoxyuridine Methanol Solvate Acta Crystallographica Section C 52(10) (1996) 2556-2558

301,791

2025-08-18

23:15:27

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2,005,514

7.495

0.001

12.18

0.001

13.75

0.001

90

null

104.38

0.01

90

null

1,215.9

0.2

150

2

null

4

P 1 21/a 1

-P 2yab

14

6-(4-Methoxyphenyl)thieno[2,3-d]-1,3-dithiole-2-thione

- C12 H8 O S4 -

- C48 H32 O4 S16 -

4

1

HA1162

Ozturk, T.; Wallis, J. D.

6-(4-Methoxyphenyl)thieno[2,3-d][1,3]dithiole-2-thione at 150K

Acta Crystallographica Section C

1,996

52

10

2552

2554

10.1107/S0108270196005264

0.71069

MoKα

0.0632

0.0551

null

0.1312

0.1288

null

1.011

1.098

null

has coordinates

Ozturk, T.; Wallis, J. D. 6-(4-Methoxyphenyl)thieno[2,3-d][1,3]dithiole-2-thione at 150K Acta Crystallographica Section C 52(10) (1996) 2552-2554

301,791

2025-08-18

23:15:27

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2,005,515

4.6709

0.0002

14.9289

0.0007

9.0408

0.0009

90

null

90.131

0.011

90

null

630.43

0.07

293

2

293

2

null

4

P 1 21 1

P 2yb

4

l-Histidyl-l-alanine dihydrate

- C9 H18 N4 O5 -

- C18 H36 N8 O10 -

2

1

HA1164

Steiner, Th.

L-Histidyl-L-alanine Dihydrate

Acta Crystallographica Section C

1,996

52

10

2554

2556

10.1107/S0108270196006804

1.54176

CuKα

0.0219

0.0204

null

0.0564

0.0545

null

1.072

1.077

null

has coordinates

Steiner, Th. L-Histidyl-L-alanine Dihydrate Acta Crystallographica Section C 52(10) (1996) 2554-2556

301,791

2025-08-18

23:15:27

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2,005,516

10.516

0.003

12.855

0.004

11.623

0.002

90

null

109.1

0.02

90

null

1,484.7

0.7

293

null

5

P 1 21/c 1

-P 2ybc

14

- C11 H16 Br N5 O2 -

- C44 H64 Br4 N20 O8 -

4

1

HU1107

Janes, R. W.; Palmer, R. A.

3,5-Diamino-6-(2-bromophenyl)-1,2,4-triazine Dimethanol Solvate: an Analogue of Lamotrigine

Acta Crystallographica Section C

1,996

52

10

2627

2629

10.1107/S010827019501300X

1.54178

CuKα

null

0.0496

null

0.0577

null

has coordinates

Janes, R. W.; Palmer, R. A. 3,5-Diamino-6-(2-bromophenyl)-1,2,4-triazine Dimethanol Solvate: an Analogue of Lamotrigine Acta Crystallographica Section C 52(10) (1996) 2627-2629

301,791

2025-08-18

23:15:27

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2,005,517

11.89

0.002

12.286

0.003

13.579

0.003

90

null

94.32

0.02

90

null

1,978

0.7

123

2

123

2

null

5

P 1 21/n 1

-P 2yn

14

Dicaesium ethyltrimethylammonium heptaphosphide-ammonia (1/2)

- C5 H20 Cs2 N3 P7 -

- C20 H80 Cs8 N12 P28 -

4

1

JZ1122

Korber, N.; Daniels, J.

Dicaesium Ethyltrimethylammonium Heptaphosphide‒Ammonia (1/2)

Acta Crystallographica Section C

1,996

52

10

2454

2457

10.1107/S0108270196005902

0.71073

MoKα

0.0441

0.0408

null

0.1073

0.1055

null

1.199

1.221

null

has coordinates

Korber, N.; Daniels, J. Dicaesium Ethyltrimethylammonium Heptaphosphide‒Ammonia (1/2) Acta Crystallographica Section C 52(10) (1996) 2454-2457

176,759

2020-10-21

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2,005,518

10.51

0.001

10.438

0.001

19.012

0.002

90

null

103.552

0.007

90

null

2,027.6

0.4

293

2

293

2

null

5

P 1 21/c 1

-P 2ybc

14

Bis(1,2-bis(4-pyridyl)ethane)cadmium(II) Tetracyanonickelate(II) -m-Xylene

- C44 H44 Cd N8 Ni -

- C88 H88 Cd2 N16 Ni2 -

2

0.5

KA1143

Güneş, B.; Soylu, H.; Özbey, S.; Tufan, Y.; Karacan, N.

Bis(1,2-di-4-pyridylethane-N:N')cadmium(II) Tetracyanonickelate(II) m-Xylene Solvate

Acta Crystallographica Section C

1,996

52

10

2425

2427

10.1107/S0108270196005380

0.71073

MoKα

null

0.0542

null

0.1189

null

1.495

null

has coordinates

Güneş, B.; Soylu, H.; Özbey, S.; Tufan, Y.; Karacan, N. Bis(1,2-di-4-pyridylethane-N:N')cadmium(II) Tetracyanonickelate(II) m-Xylene Solvate Acta Crystallographica Section C 52(10) (1996) 2425-2427

176,435

2020-10-21

18:00:00

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2,005,519

9.003

0.002

11.142

0.003

7.568

0.002

90

null

99.51

0.02

90

null

748.7

0.3

293

null

4

P 1 21 1

P 2yb

4

- C8 H12 Mn2 O16 -

- C8 H4 Mn2 O16 -

- C16 H8 Mn4 O32 -

2

1

KA1155

Ruiz-Pérez, C.; Hernández-Molina, M.; González-Silgo, C.; López, T.; Yanes, C.; Solans, X.

Polymeric (Aqua-1κO)bis[(R,R)-tartrato-1κ^2^O^1^,O^2^:2κ^2^O^3^,O^4^]dimanganese(II) Trihydrate

Acta Crystallographica Section C

1,996

52

10

2473

2475

10.1107/S0108270196006427

0.71073

MoKα

null

0.068

null

0.2053

null

1.116

null

has coordinates

Ruiz-Pérez, C.; Hernández-Molina, M.; González-Silgo, C.; López, T.; Yanes, C.; Solans, X. Polymeric (Aqua-1κO)bis[(R,R)-tartrato-1κ^2^O^1^,O^2^:2κ^2^O^3^,O^4^]dimanganese(II) Trihydrate Acta Crystallographica Section C 52(10) (1996) 2473-2475

176,432

2020-10-21

18:00:00

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2,005,520

10.1646

0.0007

8.8048

0.0006

13.157

0.001

90

null

96.327

0.006

90

null

1,170.34

0.14

295

null

295

null

4

P 1 21/c 1

-P 2ybc

14

N-(n-propyl)-2-oxy-1-naphthaldimine

- C14 H15 N O -

- C56 H60 N4 O4 -

4

1

KA1185

Kaitner, B.; Pavlovic, G.

A Reinvestigation of the Quinoidal Effect in N-n-Propyl-2-oxo-1-naphthylidenemethylamine

Acta Crystallographica Section C

1,996

52

10

2573

2575

10.1107/S0108270196005495

0.71073

MolybdenumKα

null

0.036

null

0.058

null

1.13

null

has coordinates

Kaitner, B.; Pavlovic, G. A Reinvestigation of the Quinoidal Effect in N-n-Propyl-2-oxo-1-naphthylidenemethylamine Acta Crystallographica Section C 52(10) (1996) 2573-2575

301,791

2025-08-18

23:15:27

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4,322,159

8.993

0.002

22.583

0.005

8.932

0.002

90

null

98.22

0.02

90

null

1,795.4

0.7

123

2

130

2

null

6

P 1 21/c 1

-P 2ybc

14

Ph~3~PAuC(O)NHCH~3~

- C20 H19 Au N O P -

- C80 H76 Au4 N4 O4 P4 -

4

1

Alan L. Balch; Marilyn M. Olmstead; Jess C. Vickery

Gold(I) Compounds without Significant Aurophilic Intermolecular Interactions: Synthesis, Structure, and Electronic Properties of Ph~3~PAuC(O)NHCH~3~ and Au~3~(PhCH~2~N=COCH~3~)~3~: Comparative Monomeric and Trimeric Analogues of the Solvoluminescent Trimer, Au~3~(CH~3~N=COCH~3~)~3~.

Inorganic Chemistry

1,999

38

3494

3499

10.1021/ic990080b

1.54178

CuKα

0.0755

0.0455

null

0.1072

0.0942

null

1.01

null

1.045

null

has coordinates

Alan L. Balch; Marilyn M. Olmstead; Jess C. Vickery Gold(I) Compounds without Significant Aurophilic Intermolecular Interactions: Synthesis, Structure, and Electronic Properties of Ph~3~PAuC(O)NHCH~3~ and Au~3~(PhCH~2~N=COCH~3~)~3~: Comparative Monomeric and Trimeric Analogues of the Solvoluminescent Trimer, Au~3~(CH~3...

176,467

2020-10-21

18:00:00

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2,005,521

10.372

0.003

10.787

0.002

13.571

0.003

74.35

0.02

74.37

0.02

87.03

0.02

1,407.7

0.6

292

null

292

null

6

P -1

-P 1

2

Tetrakis(creatinine)platinum(II) Dithiocyanate

- C18 H28 N14 O4 Pt S2 -

- C36 H56 N28 O8 Pt2 S4 -

2

1

KA1187

Macíček, J.; Gencheva, G.; Mitewa, M.

Tetrakis(creatinine)platinum(II) Dithiocyanate

Acta Crystallographica Section C

1,996

52

10

2429

2432

10.1107/S0108270196007901

0.71073

MoKα

0.06

0.034

null

0.041

0.046

null

2.285

0.884

null

has coordinates

Macíček, J.; Gencheva, G.; Mitewa, M. Tetrakis(creatinine)platinum(II) Dithiocyanate Acta Crystallographica Section C 52(10) (1996) 2429-2432

176,759

2020-10-21

18:00:00

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2,005,522

10.604

0.005

13.327

0.003

32.664

0.009

90

null

90

null

90

null

4,616

3

293

null

293

null

4

P 21 21 21

P 2ac 2ab

19

11,12,4"-tri-O-methylazithromycin monohydrate

- C41 H80 N2 O13 -

- C164 H320 N8 O52 -

4

1

KA1189

Kamenar, B.; Košutić Hulita, N.; Vicković, I.; Kobrehel, G.; Lazarevski, G.

11,12,4''-Tri-O-methylazithromycin Monohydrate

Acta Crystallographica Section C

1,996

52

10

2566

2568

10.1107/S0108270196005409

1.54178

CuKα

0.1602

0.0624

null

0.2176

0.1758

null

0.952

1.316

null

has coordinates,has disorder

Kamenar, B.; Košutić Hulita, N.; Vicković, I.; Kobrehel, G.; Lazarevski, G. 11,12,4''-Tri-O-methylazithromycin Monohydrate Acta Crystallographica Section C 52(10) (1996) 2566-2568

301,791

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23:15:27

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2,005,523

10.175

0.008

14.146

0.014

39.575

0.035

90

null

90

null

90

null

5,696

9

153

2

153

4

null

6

P 21 21 21

P 2ac 2ab

19

Bis(bis(1,10-phenanthroline)cyanocopper(II) isothiocyanate) Phenanthroline Pentahemihydrate

- C64 H51 Cu2 N14 O5.5 S2 -

- C256 H204 Cu8 N56 O22 S8 -

4

1

KA1199

Potočňák, I.; Dunaj-Jurčo, M.; Mikloš, D.

Cyanobis(1,10-phenanthroline-N,N')copper(II) Isothiocyanate–Phenanthroline–Water (2/1/5.5)

Acta Crystallographica Section C

1,996

52

10

2406

2409

10.1107/S0108270196006993

0.71069

MoKα

0.1001

0.0673

null

0.2088

0.1635

null

0.99

1.018

null

has coordinates

Potočňák, I.; Dunaj-Jurčo, M.; Mikloš, D. Cyanobis(1,10-phenanthroline-N,N')copper(II) Isothiocyanate–Phenanthroline–Water (2/1/5.5) Acta Crystallographica Section C 52(10) (1996) 2406-2409

301,791

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2,005,524

9.18

0.0009

7.344

0.0007

25.385

0.003

90

0.02

91.22

0.02

90

0.02

1,711

0.3

293

2

293

2

null

5

P 1 21/n 1

-P 2yn

14

(3-amidyl-3-metoxy-2-nitroso-acrylonitrile)-bipyridine- dicyanamidecopper(II)

- C16 H12 Cu N8 O2 -

- C64 H48 Cu4 N32 O8 -

4

1

KA1203

Dunaj-Jurčo, M.; Mikloš, D.; Potočňák, I.; Jäger, L.

Addition of Methanol to Copper(II)-Coordinated Dicyanonitrosomethanide: (3-Amino-3-methoxy-2-nitrosoacrylonitrilato-N^2^,N^3^)(bipyridine-N,N')(dicyanamido-N)copper(II)

Acta Crystallographica Section C

1,996

52

10

2409

2412

10.1107/S0108270196009766

0.71069

MoKα

0.1176

0.0436

null

0.1078

0.0905

null

0.929

1.106

null

has coordinates

Dunaj-Jurčo, M.; Mikloš, D.; Potočňák, I.; Jäger, L. Addition of Methanol to Copper(II)-Coordinated Dicyanonitrosomethanide: (3-Amino-3-methoxy-2-nitrosoacrylonitrilato-N^2^,N^3^)(bipyridine-N,N')(dicyanamido-N)copper(II) Acta Crystallographica Section C 52(10) (1996) 2409-2412

176,759

2020-10-21

18:00:00

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2,005,525

21.094

0.004

10.022

0.003

17.293

0.004

90

null

90.18

0.02

90

null

3,655.8

1.5

293

1

293

1

null

5

P 1 21/n 1

-P 2yn

14

1,2-[3,4-Dihydro-2-(5-methoxyphenyl)-2H-pyrrolo)[60]fullerene

- C70 H9 N O S2 -

- C280 H36 N4 O4 S8 -

4

1

KA1208

Ramm, M.; Luger, P.; Averdung, J.; Mattay, J.

1,2-[3,4-Dihydro-2-(4-methoxyphenyl)-2H-pyrrolo][60]fullerene Carbon Disulfide

Acta Crystallographica Section C

1,996

52

10

2590

2594

10.1107/S0108270196009742

1.54178

CuKα

0.1

0.0451

null

0.1211

0.1094

null

0.881

1.116

null

has coordinates

Ramm, M.; Luger, P.; Averdung, J.; Mattay, J. 1,2-[3,4-Dihydro-2-(4-methoxyphenyl)-2H-pyrrolo][60]fullerene Carbon Disulfide Acta Crystallographica Section C 52(10) (1996) 2590-2594

176,759

2020-10-21

18:00:00

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2,005,526

12.909

0.003

8.174

0.002

11.302

0.002

90

null

94.82

0.03

90

null

1,188.3

0.5

296

null

3

C 1 2/c 1

-C 2yc

15

- C12 H6 Cl4 -

- C48 H24 Cl16 -

4

0.5

KH1067

Miao, X.-S.; Chu, S.-G.; Xu, X.-B.; Jin, X.-L.

2,2',5,5'-Tetrachlorobiphenyl (PCB 52)

Acta Crystallographica Section C

1,996

52

10

2582

2583

10.1107/S0108270196006555

0.71073

MoKα

null

0.077

null

0.094

null

0.97

null

has coordinates

Miao, X.-S.; Chu, S.-G.; Xu, X.-B.; Jin, X.-L. 2,2',5,5'-Tetrachlorobiphenyl (PCB 52) Acta Crystallographica Section C 52(10) (1996) 2582-2583

301,791

2025-08-18

23:15:27

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2,005,527

9.324

0.003

16.59

0.005

18.978

0.002

90

null

90.39

0.02

90

null

2,935.5

1.3

293

null

296

null

5

P 1 21/n 1

-P 2yn

14

μ-chloro-μ-hydroxybis{dichloro bis(tetrahydrofuran)vanadium(III)} tetrahydrofuran solvate

- C20 H41 Cl5 O6 V2 -

- C80 H164 Cl20 O24 V8 -

4

1

KH1082

M. Kondo; T. Ohrui; S. Kawata; S. Kitagawa

A Divanadium(III) Complex Bridged by Cl^{-^} and OH^{-^} Anions

Acta Crystallographica Section C

1,996

52

10

2448

2450

10.1107/S0108270196006543

0.7107

MoKα

null

0.047

null

0.032

null

1.8

null

has coordinates

M. Kondo; T. Ohrui; S. Kawata; S. Kitagawa A Divanadium(III) Complex Bridged by Cl^{-^} and OH^{-^} Anions Acta Crystallographica Section C 52(10) (1996) 2448-2450

209,447

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2018-08-07 17:33:59 +0300 (Tue, 07 Aug 2018) $ #$Revision: 209447 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/55/2005527.cif $ #-------------------------------------------------------------------...

2,005,528

10.387

0.007

10.63

0.01

8.016

0.008

111.76

0.08

103.34

0.07

104.2

0.07

744.3

1.4

293

null

5

P -1

-P 1

2

- C24 H32 Mo2 O14 P2 -

1

0.5

KH1083

Qiu, P.; Guo, G.; Huang, X.

A Methoxycarbonyl-Substituted Cyclopentadienyl‒Dicarbonyl‒Trimethylphosphite‒Molybdenum Complex Dimer, [Mo(η^5^-MeO~2~C~2~Cp){P(OMe)~3~}(CO)~2~]~2~

Acta Crystallographica Section C

1,996

52

10

2484

2486

10.1107/S0108270196007275

0.71073

MoKα

null

0.05

null

0.054

null

1.13

null

has coordinates

Qiu, P.; Guo, G.; Huang, X. A Methoxycarbonyl-Substituted Cyclopentadienyl‒Dicarbonyl‒Trimethylphosphite‒Molybdenum Complex Dimer, [Mo(η^5^-MeO~2~C~2~Cp){P(OMe)~3~}(CO)~2~]~2~ Acta Crystallographica Section C 52(10) (1996) 2484-2486

176,435

2020-10-21

18:00:00

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2,005,529

6.271

0.001

6.376

0.001

8.169

0.001

96.45

0.01

103.86

0.01

103.87

0.01

302.84

0.08

293

null

293

null

4

P -1

-P 1

2

- As2 Ga K O7 -

- As4 Ga2 K2 O14 -

2

1

KH1086

Lin, K.-J.; Lii, K.-H.

KGaAs~2~O~7~

Acta Crystallographica Section C

1,996

52

10

2387

2389

10.1107/S0108270196005112

0.71069

MolybdenumKα

0.037

0.033

null

0.041

null

2.43

null

has coordinates

Lin, K.-J.; Lii, K.-H. KGaAs~2~O~7~ Acta Crystallographica Section C 52(10) (1996) 2387-2389

176,435

2020-10-21

18:00:00

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2,005,530

6.663

0.002

6.861

0.003

15.721

0.002

93.16

0.03

94.31

0.02

111.13

0.03

665.9

0.4

293

2

293

2

null

5

P -1

-P 1

2

trans-tetraaquobis(tricyanomelamine)cobalt(II) hexahydrate

- C12 H24 Co N18 O10 -

1

0.5

KH1099

Abrahams, B. F.; Egan, S. J.; Hoskins, B. F.; Robson, R.

trans-Tetraaquabis(N,N',N''-tricyanomelamine)cobalt(II) Hexahydrate

Acta Crystallographica Section C

1,996

52

10

2427

2429

10.1107/S0108270196006488

1.5418

CuKα

0.0357

0.0355

null

0.1006

0.1004

null

1.084

1.085

null

has coordinates

Abrahams, B. F.; Egan, S. J.; Hoskins, B. F.; Robson, R. trans-Tetraaquabis(N,N',N''-tricyanomelamine)cobalt(II) Hexahydrate Acta Crystallographica Section C 52(10) (1996) 2427-2429

301,791

2025-08-18

23:15:27

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2,005,531

10.598

0.002

9.184

0.002

16.683

0.003

90

0.01

108.39

0.02

90

0.01

1,540.9

0.6

293

2

293

2

null

3

P 1 21/a 1

-P 2yab

14

(±)-3-formyl-1-methyl-2-(2-phenylethyl)Cyclohex-2-enecarboxylic acid

- C17 H20 O3 -

- C17 H18 O3 -

- C68 H72 O12 -

4

1

LI1144

Ghosh, S.; Mostafa, G.; Mukherjee, M.; Pal, S.; Mukherjee, A. K.

(±)-3-Formyl-1-methyl-2-(2-phenylethyl)cyclohex-2-enecarboxylic Acid: an Investigation of Disorder

Acta Crystallographica Section C

1,996

52

10

2507

2510

10.1107/S0108270196005586

1.5418

CuKα

0.1535

0.1052

null

0.4178

0.2897

null

1.197

1.119

null

has coordinates,has disorder

Ghosh, S.; Mostafa, G.; Mukherjee, M.; Pal, S.; Mukherjee, A. K. (±)-3-Formyl-1-methyl-2-(2-phenylethyl)cyclohex-2-enecarboxylic Acid: an Investigation of Disorder Acta Crystallographica Section C 52(10) (1996) 2507-2510

176,759

2020-10-21

18:00:00

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4,322,158

17.311

0.006

34.761

0.01

18.052

0.006

90

null

94.73

0.02

90

null

10,826

6

133

2

130

2

null

5

P 1 21 1

P 2yb

4

Au~3~(PhCH~2~N=COCH~3~)~3~

- C27 H30 Au3 N3 O3 -

- C432 H480 Au48 N48 O48 -

16

8

Alan L. Balch; Marilyn M. Olmstead; Jess C. Vickery

Gold(I) Compounds without Significant Aurophilic Intermolecular Interactions: Synthesis, Structure, and Electronic Properties of Ph~3~PAuC(O)NHCH~3~ and Au~3~(PhCH~2~N=COCH~3~)~3~: Comparative Monomeric and Trimeric Analogues of the Solvoluminescent Trimer, Au~3~(CH~3~N=COCH~3~)~3~.

Inorganic Chemistry

1,999

38

3494

3499

10.1021/ic990080b

0.71073

MoKα

0.1145

0.0735

null

0.2149

0.1775

null

1.002

null

1.032

null

has coordinates

Alan L. Balch; Marilyn M. Olmstead; Jess C. Vickery Gold(I) Compounds without Significant Aurophilic Intermolecular Interactions: Synthesis, Structure, and Electronic Properties of Ph~3~PAuC(O)NHCH~3~ and Au~3~(PhCH~2~N=COCH~3~)~3~: Comparative Monomeric and Trimeric Analogues of the Solvoluminescent Trimer, Au~3~(CH~3...

179,324

2020-10-21

18:00:00

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2,005,532

11.353

0.001

9.586

0.001

14.095

0.001

90

0.01

97.36

0.01

90

0.01

1,521.3

0.2

293

2

293

2

null

3

P 1 21/n 1

-P 2yn

14

4-Methoxy-2-(4,4-dimethyl-2-oxo-butan-1-ol)-1-naphthoic-acid-lactone

- C18 H18 O4 -

- C72 H72 O16 -

4

1

LI1147

Nayak, N. P.; Mukherjee, A. K.; Mukherjee, M.

2-(1-Hydroxy-4,4-dimethyl-2-oxobutyl)-4-methoxy-1-naphtholactone

Acta Crystallographica Section C

1,996

52

10

2510

2512

10.1107/S0108270196005574

0.7093

MoKα

0.0578

0.0466

null

0.1273

0.1201

null

1.038

1.117

null

has coordinates

Nayak, N. P.; Mukherjee, A. K.; Mukherjee, M. 2-(1-Hydroxy-4,4-dimethyl-2-oxobutyl)-4-methoxy-1-naphtholactone Acta Crystallographica Section C 52(10) (1996) 2510-2512

301,791

2025-08-18

23:15:27

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2,005,533

6.124

0.002

8.407

0.003

10.277

0.003

90

null

90

0.03

90

null

529.1

0.3

291

null

3

P 1 21 1

P 2yb

4

- C10 H16 O3 -

- C20 H32 O6 -

2

1

NA1217

Majzner, W. R.; Wieczorek, M. W.; Błaszczyk, J.; Kula, J.; Sikora, M.

(S)-(+)-Homoterpenyl Methyl Ketone

Acta Crystallographica Section C

1,996

52

10

2629

2631

10.1107/S0108270196005549

1.54184

CuKα

null

0.042

null

0.0487

null

1.3698

null

has coordinates,has Fobs

Majzner, W. R.; Wieczorek, M. W.; Błaszczyk, J.; Kula, J.; Sikora, M. (S)-(+)-Homoterpenyl Methyl Ketone Acta Crystallographica Section C 52(10) (1996) 2629-2631

301,791

2025-08-18

23:15:27

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2,005,534

6.08

0.002

13.552

0.004

13.882

0.007

90

null

96.62

0.02

90

null

1,136.2

0.8

293

2

293

2

null

3

P 1 21/c 1

-P 2ybc

14

Dihydrodipentalenyliron

- C16 H14 Fe -

- C14.925 H13.058 Fe -

- C59.7 H52.232 Fe4 -

4

1

NA1230

Molins, E.; Maniukiewicz, W.; Miravitlles, C.; Mas, M.; Manriquez, J. M.; Chávez, I.; Oelckers, B.; Farran, J.; Briansó, J. L.

Bis(η^5^-hydropentalenyl)iron

Acta Crystallographica Section C

1,996

52

10

2414

2416

10.1107/S0108270196005872

0.70926

MoKα

0.0498

0.0303

null

0.0908

0.081

null

0.968

1.005

null

has coordinates

Molins, E.; Maniukiewicz, W.; Miravitlles, C.; Mas, M.; Manriquez, J. M.; Chávez, I.; Oelckers, B.; Farran, J.; Briansó, J. L. Bis(η^5^-hydropentalenyl)iron Acta Crystallographica Section C 52(10) (1996) 2414-2416

176,759

2020-10-21

18:00:00

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2,005,535

8.127

0.001

6.985

0.001

9.306

0.002

90

null

97.2

0.01

90

null

524.11

0.15

293

2

293

2

null

5

P 1 21/m 1

-P 2yb

11

1-Fluoromethyl-1-methyl-1H,3H-thiazolo[3,4-a]benzimidazole

- C11 H11 F N2 S -

- C22 H22 F2 N4 S2 -

2

0.5

NA1235

Bruno, G.; Chimirri, A.; Monforte, A. M.; Nicoló, F.; Scopelliti, R.

1-Fluoromethyl-1-methyl-1H,3H-thiazolo[3,4-a]benzimidazole

Acta Crystallographica Section C

1,996

52

10

2531

2533

10.1107/S0108270196006026

0.71073

MoKα

0.0369

0.0321

null

0.0894

0.0844

null

1.09

null

has coordinates

Bruno, G.; Chimirri, A.; Monforte, A. M.; Nicoló, F.; Scopelliti, R. 1-Fluoromethyl-1-methyl-1H,3H-thiazolo[3,4-a]benzimidazole Acta Crystallographica Section C 52(10) (1996) 2531-2533

176,432

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176432 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/55/2005535.cif $ #-------------------------------------------------------------------...

2,005,536

12.314

0.001

12.425

0.001

14.855

0.005

90

null

90

null

90

null

2,272.8

0.8

293

2

293

2

null

4

P 21 21 21

P 2ac 2ab

19

(1R,2R)-N-Benzyl-N-[(N-tert-butoxycarbonyl-2,2-dimethyloxazol-4-yl)- (furan-2-yl)methyl]hydroxylamine

- C22 H30 N2 O5 -

- C88 H120 N8 O20 -

4

1

NA1237

Merino, P.; Merchan, F. L.; Tejero, T.; Lanaspa, A.

Chiral Hydroxylamines. II. (1R,2R)-N-Benzyl-N-[(3-tert-butoxycarbonyl-2,2-dimethyloxazol-4-yl)(furan-2-yl)methyl]hydroxylamine

Acta Crystallographica Section C

1,996

52

10

2536

2538

10.1107/S0108270196005185

0.71073

MoKα

0.0387

0.0375

null

0.1049

0.103

null

1.045

1.05

null

has coordinates

Merino, P.; Merchan, F. L.; Tejero, T.; Lanaspa, A. Chiral Hydroxylamines. II. (1R,2R)-N-Benzyl-N-[(3-tert-butoxycarbonyl-2,2-dimethyloxazol-4-yl)(furan-2-yl)methyl]hydroxylamine Acta Crystallographica Section C 52(10) (1996) 2536-2538

301,791

2025-08-18

23:15:27

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2,005,537

7.016

0.002

13.603

0.002

11.551

0.002

90

null

107.16

0.01

90

null

1,053.3

0.4

292

null

292

null

7

P 1 21/c 1

-P 2ybc

14

Tetrakis(Thiourea)cadmium perrhenate

- C4 H16 Cd N8 O8 Re2 S4 -

- C8 H32 Cd2 N16 O16 Re4 S8 -

2

0.5

NA1239

Petrova, R.; Angelova, O.; Bakardjieva, S.; Macícek, J.

Molecular Adducts of Inorganic Salts. VII. Cd(ReO~4~)~2~.4tu (tu = Thiourea)

Acta Crystallographica Section C

1,996

52

10

2432

2434

10.1107/S0108270196007093

0.71073

MoKα

0.031

0.024

null

0.035

0.032

null

0.946

0.898

null

has coordinates

Petrova, R.; Angelova, O.; Bakardjieva, S.; Macícek, J. Molecular Adducts of Inorganic Salts. VII. Cd(ReO~4~)~2~.4tu (tu = Thiourea) Acta Crystallographica Section C 52(10) (1996) 2432-2434

176,759

2020-10-21

18:00:00

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2,005,538

8.281

0.002

20.914

0.004

9.549

0.002

90

null

97.46

0.02

90

null

1,639.8

0.6

293

2

293

2

null

5

P 1 21/c 1

-P 2ybc

14

1-(3,5-Ditrifluoromethylphenyl)-1H,3H-thiazolo[3,4-a]benzimidazole

- C17 H10 F6 N2 S -

- C68 H40 F24 N8 S4 -

4

1

NA1245

Bruno, G.; Monforte, A. M.; Nicoló, F.; Scopelliti, R.; Zappalá, M.

1-[3,5-Bis(trifluoromethyl)phenyl]-1H,3H-thiazolo[3,4-a]benzimidazole

Acta Crystallographica Section C

1,996

52

10

2533

2535

10.1107/S0108270196006476

0.71073

MoKα

0.0615

0.0377

null

0.086

0.0703

null

0.964

null

has coordinates,has disorder

Bruno, G.; Monforte, A. M.; Nicoló, F.; Scopelliti, R.; Zappalá, M. 1-[3,5-Bis(trifluoromethyl)phenyl]-1H,3H-thiazolo[3,4-a]benzimidazole Acta Crystallographica Section C 52(10) (1996) 2533-2535

176,759

2020-10-21

18:00:00

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4,322,157

13.993

0.002

14.401

0.002

15.727

0.001

75.29

0.009

65.41

0.01

69.677

0.009

2,680.1

0.6

293

2

293

2

null

6

P -1

-P 1

2

- C30 H68 Cl2 Cu2 N26 O20 -

- C60 H136 Cl4 Cu4 N52 O40 -

2

1

Paul V. Bernhardt

A Supramolecular Synthon for H-Bonded Transition Metal Arrays

Inorganic Chemistry

1,999

38

3481

3483

10.1021/ic990074f

0.71073

MoKα

0.187

0.0538

null

0.173

0.1216

null

1.012

1.169

null

has coordinates,has disorder

Paul V. Bernhardt A Supramolecular Synthon for H-Bonded Transition Metal Arrays Inorganic Chemistry 38 (1999) 3481-3483

179,324

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:22:11 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179324 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/21/4322157.cif $ #-------------------------------------------------------------------...

2,005,539

8.707

0.001

9.313

0.001

19.869

0.001

90

null

90

null

90

null

1,611.1

0.3

293

2

293

2

null

4

P 21 21 21

P 2ac 2ab

19

(1R,2S)-2-Benzamido-2-methoxycarbonylcyclohexan-5-one-1-carboxylic acid

- C16 H17 N O6 -

- C64 H68 N4 O24 -

4

1

NA1251

Buñuel, E.; Cativiela, C.; Díaz-de-Villegas, M. D.; Gálvez, J. A.

A New Conformationally Restricted Aspartic Acid Analogue with a Cyclohexanone Skeleton

Acta Crystallographica Section C

1,996

52

10

2641

2644

10.1107/S0108270196008712

0.71069

MoKα

0.0346

0.0321

null

0.0871

0.0848

null

1.063

1.072

null

has coordinates

Buñuel, E.; Cativiela, C.; Díaz-de-Villegas, M. D.; Gálvez, J. A. A New Conformationally Restricted Aspartic Acid Analogue with a Cyclohexanone Skeleton Acta Crystallographica Section C 52(10) (1996) 2641-2644

301,791

2025-08-18

23:15:27

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2,005,540

11.344

0.002

11.344

0.002

4.75

0.002

90

null

90

null

120

null

529.4

0.3

293

null

3

P 3 2 1

P 3 2"

150

- Ge4 O9 Sr -

- Ge12 O27 Sr3 -

3

0.5

OH1096

Nishi, F.

Strontium Tetragermanate, SrGe~4~O~9~

Acta Crystallographica Section C

1,996

52

10

2393

2395

10.1107/S0108270196006737

0.71073

MoKα

null

0.049

null

0.052

null

1.35

null

has coordinates

Nishi, F. Strontium Tetragermanate, SrGe~4~O~9~ Acta Crystallographica Section C 52(10) (1996) 2393-2395

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/2/00/55/2005540.cif $ #-------------------------------------------------------------------...

2,005,541

5.5464

0.00013

10.472

0.0003

3.87959

0.00008

90

null

90

null

90

null

225.334

0.01

296

null

296

null

3

P b a m

-P 2 2ab

55

dicopper(II) lanthanum cuprate

- Cu2 La2 O5 -

- Cu4 La4 O10 -

2

0.25

OH1097

Khasanova, N. R.; Izumi, F.; Hiroi, Z.; Takano, M.; Huang, Q.; Santoro, A.

Redetermination of the Structure of La~2~Cu~2~O~5~ by Neutron Powder Diffraction

Acta Crystallographica Section C

1,996

52

10

2381

2384

10.1107/S0108270196006646

neutron

1.5396

neutron

0.0171

null

has coordinates

Khasanova, N. R.; Izumi, F.; Hiroi, Z.; Takano, M.; Huang, Q.; Santoro, A. Redetermination of the Structure of La~2~Cu~2~O~5~ by Neutron Powder Diffraction Acta Crystallographica Section C 52(10) (1996) 2381-2384

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/2/00/55/2005541.cif $ #-------------------------------------------------------------------...

2,005,542

5.53528

0.00014

10.449

0.0003

3.87265

0.00008

90

null

90

null

90

null

223.987

0.01

10

null

10

null

3

P b a m

-P 2 2ab

55

dicopper(II) lanthanum cuprate

- Cu2 La2 O5 -

- Cu4 La4 O10 -

2

0.25

OH1097

Khasanova, N. R.; Izumi, F.; Hiroi, Z.; Takano, M.; Huang, Q.; Santoro, A.

Redetermination of the Structure of La~2~Cu~2~O~5~ by Neutron Powder Diffraction

Acta Crystallographica Section C

1,996

52

10

2381

2384

10.1107/S0108270196006646

neutron

1.5396

neutron

0.0263

null

has coordinates

Khasanova, N. R.; Izumi, F.; Hiroi, Z.; Takano, M.; Huang, Q.; Santoro, A. Redetermination of the Structure of La~2~Cu~2~O~5~ by Neutron Powder Diffraction Acta Crystallographica Section C 52(10) (1996) 2381-2384

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/2/00/55/2005542.cif $ #-------------------------------------------------------------------...

2,005,543

11.23

0.03

9.66

0.03

8.89

0.03

90

null

98.2

0.03

90

null

955

5

293

2

293

2

null

5

P 1 21/c 1

-P 2ybc

14

N-(pentafluoro-phenyl)-trifluoro-acetamide

- C8 H F8 N O -

- C32 H4 F32 N4 O4 -

4

1

PA1226

Mahoui, A.; Lapasset, J.; Moret, J.

α,α,α,2,3,4,5,6-Octafluoroacetanilide

Acta Crystallographica Section C

1,996

52

10

2583

2585

10.1107/S0108270196005689

1.5418

CuKα

0.0561

0.0476

null

0.1234

0.1205

null

1.078

1.11

null

has coordinates

Mahoui, A.; Lapasset, J.; Moret, J. α,α,α,2,3,4,5,6-Octafluoroacetanilide Acta Crystallographica Section C 52(10) (1996) 2583-2585

301,791

2025-08-18

23:15:27

#------------------------------------------------------------------------------ #$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/2/00/55/2005543.cif $ #-------------------------------------------------------------------...

2,005,544

7.948

0.005

10.902

0.002

8.22

0.005

90

null

106.43

0.03

90

null

683.2

0.6

293

null

293

null

3

P 1 21 1

P 2yb

4

2α,3α,7β,8β-diépoxy-trans-himachalane

- C15 H24 O2 -

- C30 H48 O4 -

2

1

PA1232

Chiaroni, A.; Riche, C.; Benharref, A.; El Jamili, H.; Lassaba, E.

2α,3α:7β,8β-Diépoxy-trans-himachalane

Acta Crystallographica Section C

1,996

52

10

2502

2504

10.1107/S0108270196005768

1.5418

CuKα

null

0.058

null

0.065

null

0.6

null

has coordinates

Chiaroni, A.; Riche, C.; Benharref, A.; El Jamili, H.; Lassaba, E. 2α,3α:7β,8β-Diépoxy-trans-himachalane Acta Crystallographica Section C 52(10) (1996) 2502-2504

301,791

2025-08-18

23:15:27

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2,005,545

8.537

0.002

8.221

0.002

10.364

0.002

90

null

104.31

0.02

90

null

704.8

0.3

293

null

293

null

3

P 1 21 1

P 2yb

4

2α ,3α ,6α ,7α-diépoxyhimachalane

- C15 H24 O2 -

- C18 H24 O2 -

- C36 H48 O4 -

2

1

PA1235

Chiaroni, A.; Riche, C.; Benharref, A.; Lassaba, E.; Baouid, A.

2α,3α:6α,7α-Diépoxyhimachalane

Acta Crystallographica Section C

1,996

52

10

2504

2507

10.1107/S0108270196005756

1.5418

CuKα

null

0.059

null

0.07

null

0.59

null

has coordinates

Chiaroni, A.; Riche, C.; Benharref, A.; Lassaba, E.; Baouid, A. 2α,3α:6α,7α-Diépoxyhimachalane Acta Crystallographica Section C 52(10) (1996) 2504-2507

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/2/00/55/2005545.cif $ #-------------------------------------------------------------------...

4,322,156

8.436

0.002

8.439

0.002

22.997

0.008

97.85

0.03

91.82

0.02

111.4

0.02

1,504.1

0.8

293

2

293

2

null

6

P -1

-P 1

2

- C16 H36 Cl2 Cu N12 O14 -

- C32 H72 Cl4 Cu2 N24 O28 -

2

1

Paul V. Bernhardt

A Supramolecular Synthon for H-Bonded Transition Metal Arrays

Inorganic Chemistry

1,999

38

3481

3483

10.1021/ic990074f

0.71073

MoKα

0.28

0.1192

null

0.4124

0.2873

null

1.032

1.269

null

has coordinates,has disorder

Paul V. Bernhardt A Supramolecular Synthon for H-Bonded Transition Metal Arrays Inorganic Chemistry 38 (1999) 3481-3483

301,838

2025-08-20

22:17:36

#------------------------------------------------------------------------------ #$Date: 2025-08-21 01:01:10 +0300 (Thu, 21 Aug 2025) $ #$Revision: 301838 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/21/4322156.cif $ #-------------------------------------------------------------------...