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

2,005,998

6.2976

0.0007

10.0596

0.0014

12.8122

0.0011

90

null

93.316

0.008

90

null

810.31

0.16

293

2

293

2

null

6

P 1 21/n 1

-P 2yn

14

Diaqua-bis(pyridine-2-carboxamide-N',O)copper(II) Dichloride

- C12 H16 Cl2 Cu N4 O4 -

- C24 H32 Cl4 Cu2 N8 O8 -

2

0.5

JZ1151

Sieroń, L.; Bukowska-Strżyzewska, M.

trans-Diaquabis(pyridine-2-carboxamide-N^1^,O)copper(II) Dichloride and Dibromide

Acta Crystallographica Section C

1,997

53

3

296

298

10.1107/S0108270196013364

0.71073

MoKα

0.0255

0.0234

null

0.0666

0.0655

null

1.102

1.129

null

has coordinates

Sieroń, L.; Bukowska-Strżyzewska, M. trans-Diaquabis(pyridine-2-carboxamide-N^1^,O)copper(II) Dichloride and Dibromide Acta Crystallographica Section C 53(3) (1997) 296-298

301,791

2025-08-18

23:15:28

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2,005,999

6.3722

0.0006

10.2962

0.0008

13.1279

0.0014

90

null

94.4

0.008

90

null

858.78

0.14

293

2

293

2

null

6

P 1 21/n 1

-P 2yn

14

Diaqua-bis(pyridine-2-carboxamide-N',O)copper(II) Dibromide

- C12 H16 Br2 Cu N4 O4 -

- C24 H32 Br4 Cu2 N8 O8 -

2

0.5

JZ1151

Sieroń, L.; Bukowska-Strżyzewska, M.

trans-Diaquabis(pyridine-2-carboxamide-N^1^,O)copper(II) Dichloride and Dibromide

Acta Crystallographica Section C

1,997

53

3

296

298

10.1107/S0108270196013364

0.71073

MoKα

0.0334

0.0286

null

0.0767

0.0746

null

1.097

1.138

null

has coordinates

Sieroń, L.; Bukowska-Strżyzewska, M. trans-Diaquabis(pyridine-2-carboxamide-N^1^,O)copper(II) Dichloride and Dibromide Acta Crystallographica Section C 53(3) (1997) 296-298

301,791

2025-08-18

23:15:28

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2,006,000

9.543

0.004

10.176

0.002

11.34

0.003

84.56

0.02

113.62

0.03

114.04

0.02

918.4

0.6

296

null

296

null

4

P -1

-P 1

2

1,4-bis(trimethylindium)-1,4-dibenzylpiperazine

- C36 H52 In2 N2 -

1

0.5

KH1102

Ma, X.; Pan, Y.; Wu, L.; Huang, X.; Sun, H.; Zhu, C.

[μ-(1,4-Dibenzylpiperazine)-N:N']bis(trimethylindium) Dibenzene Solvate

Acta Crystallographica Section C

1,997

53

3

278

279

10.1107/S0108270196013169

0.71073

MoKα

null

0.052

null

0.063

null

1.94

null

has coordinates

Ma, X.; Pan, Y.; Wu, L.; Huang, X.; Sun, H.; Zhu, C. [μ-(1,4-Dibenzylpiperazine)-N:N']bis(trimethylindium) Dibenzene Solvate Acta Crystallographica Section C 53(3) (1997) 278-279

190,398

2020-10-21

18:00:00

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2,006,001

10.471

0.003

14.347

0.002

13.29

0.003

90

null

111.65

0.02

90

null

1,855.7

0.8

296

null

5

P 1 21/n 1

-P 2yn

14

- C20 H17 Cu N3 O5 -

- C80 H68 Cu4 N12 O20 -

4

1

KH1108

Zhang, L.; Xu, D.; Xu, Y.; Gu, J.

(Benzoylacetonato-O,O')(2,2'-bipyridine-N,N')(nitrato-O)copper(II)

Acta Crystallographica Section C

1,997

53

3

299

301

10.1107/S0108270196012358

0.71073

MoKα

null

0.043

null

0.049

null

1.23

null

has coordinates

Zhang, L.; Xu, D.; Xu, Y.; Gu, J. (Benzoylacetonato-O,O')(2,2'-bipyridine-N,N')(nitrato-O)copper(II) Acta Crystallographica Section C 53(3) (1997) 299-301

301,791

2025-08-18

23:15:28

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2,006,002

7.921

0.013

11.786

0.026

14.714

0.01

90

null

90

null

90

null

1,374

4

293

2

293

2

null

4

P c a b

-P 2bc 2ac

61

1,4 butane diammonium malonate

- C10 H20 N2 O8 -

- C40 H80 N8 O32 -

4

0.5

KH1123

Babu, A. M.; Weakley, T. J. R.; Murthy, M. R. N.

Extended Conformation of Putrescine Occurring on a Center of Symmetry in its 1:2 Complex with Malonic Acid

Acta Crystallographica Section C

1,997

53

3

365

367

10.1107/S010827019601342X

0.71073

MoKα

0.0453

0.0445

null

0.1199

0.1185

null

0.556

0.561

null

has coordinates

Babu, A. M.; Weakley, T. J. R.; Murthy, M. R. N. Extended Conformation of Putrescine Occurring on a Center of Symmetry in its 1:2 Complex with Malonic Acid Acta Crystallographica Section C 53(3) (1997) 365-367

301,791

2025-08-18

23:15:28

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2,006,003

10.9126

0.0005

11.5192

0.0006

14.182

0.001

94.715

0.005

97.083

0.005

96.918

0.004

1,747.71

0.18

298

2

293

2

null

6

P -1

-P 1

2

Bis(N,N-dimethyldithiocarbamyl)acetato(quinolinolato)triphenyltin

- C35 H35 N3 O3 S4 Sn -

- C70 H70 N6 O6 S8 Sn2 -

2

1

KH1133

Ng, S. W.

[Bis(N,N-dimethylthiocarbamoylthio)acetato-O]triphenyl(quinoline N-oxide-O)tin

Acta Crystallographica Section C

1,997

53

3

274

276

10.1107/S0108270196013704

0.71073

MoKα

0.06

0.053

null

0.154

0.1467

null

1.031

1.054

null

has coordinates

Ng, S. W. [Bis(N,N-dimethylthiocarbamoylthio)acetato-O]triphenyl(quinoline N-oxide-O)tin Acta Crystallographica Section C 53(3) (1997) 274-276

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/2/00/60/2006003.cif $ #-------------------------------------------------------------------...

4,322,107

11.846

0.002

11.918

0.002

15.13

0.003

95.03

0.03

91.25

0.03

94.73

0.03

2,119.7

0.7

293

2

293

2

null

9

P -1

-P 1

2

trans-diironcyanide-platinum(II)di-pyridine

- C86 H92 F12 Fe2 N4 O4 P4 Pt Sb2 -

1

0.5

Guy N. Richardson; Udo Brand; Heinrich Vahrenkamp

Linear and Bent M(μ-CN)Pt(μ-CN)M Chains: Probes for Remote Metal-Metal Interactions

Inorganic Chemistry

1,999

38

3070

3079

10.1021/ic981384l

0.71073

MoKα

0.0405

0.0402

null

0.1102

0.1108

null

1.107

null

has coordinates

Guy N. Richardson; Udo Brand; Heinrich Vahrenkamp Linear and Bent M(μ-CN)Pt(μ-CN)M Chains: Probes for Remote Metal-Metal Interactions Inorganic Chemistry 38 (1999) 3070-3079

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/4/32/21/4322107.cif $ #-------------------------------------------------------------------...

2,006,004

10.035

0.004

11.09

0.008

12.325

0.004

65.28

0.09

70.5

0.03

70.37

0.05

1,143.2

1.3

163

2

163

2

null

4

P -1

-P 1

2

Tetra-p-chlorophenyltin

- C24 H16 Cl4 Sn -

- C48 H32 Cl8 Sn2 -

2

1

KH1137

Ng, S. W.

Tetra(p-chlorophenyl)tin

Acta Crystallographica Section C

1,997

53

3

273

274

10.1107/S0108270196013716

0.71073

MoKα

0.0361

0.0288

null

0.0787

0.0708

null

1.068

1.067

null

has coordinates

Ng, S. W. Tetra(p-chlorophenyl)tin Acta Crystallographica Section C 53(3) (1997) 273-274

201,955

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-10-13 03:08:28 +0300 (Fri, 13 Oct 2017) $ #$Revision: 201955 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/60/2006004.cif $ #-------------------------------------------------------------------...

2,006,005

10.005

0.003

17.535

0.003

16.509

0.002

90

null

90

null

90

null

2,896.3

1.1

293

null

293

null

3

P b c a

null

2,2-dimethyl-2,3-dihydro-1H-2-silacyclopent[l]phenanthrene

- C18 H18 Si -

- C144 H144 Si8 -

8

1

MU1274

Wagner, T.; Marx, H.-W.; Moss, S.

2,2-Dimethyl-2,3-dihydro-1H-2-silacyclopenta[l]phenanthrene

Acta Crystallographica Section C

1,997

53

3

344

345

10.1107/S0108270196013315

1.54184

CuKα

null

0.04

null

0.059

null

2.203

null

has coordinates,has Fobs

Wagner, T.; Marx, H.-W.; Moss, S. 2,2-Dimethyl-2,3-dihydro-1H-2-silacyclopenta[l]phenanthrene Acta Crystallographica Section C 53(3) (1997) 344-345

301,791

2025-08-18

23:15:28

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2,006,006

6.283

0.001

26.437

0.002

8.1851

0.0009

90

null

96.54

0.01

90

null

1,350.7

0.3

295

2

295

2

null

4

P 1 21/n 1

-P 2yn

14

bis(p-methoxyphenyl)telluride

- C14 H14 O2 Te -

- C56 H56 O8 Te4 -

4

1

MU1290

Farran, J.; Alvarez-Larena, A.; Piniella, J. F.; Capparelli, M. V.; Torres-Castellanos, L.

Bis(p-methoxyphenyl) Telluride

Acta Crystallographica Section C

1,997

53

3

342

343

10.1107/S0108270196013194

0.71069

MoKα

0.0359

0.025

null

0.0688

0.0659

null

1.084

1.158

null

has coordinates

Farran, J.; Alvarez-Larena, A.; Piniella, J. F.; Capparelli, M. V.; Torres-Castellanos, L. Bis(p-methoxyphenyl) Telluride Acta Crystallographica Section C 53(3) (1997) 342-343

301,791

2025-08-18

23:15:28

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2,006,007

9.573

0.004

20.857

0.006

20.467

0.007

90

null

95.86

0.03

90

null

4,065

2

295

null

295

null

6

P 1 21/c 1

-P 2ybc

14

- C36 H66 N2 Ni O8 P2 -

- C144 H264 N8 Ni4 O32 P8 -

4

1

MU1297

Kennedy, A. R.; Sloss, S. W.; Spicer, M. D.

cis-Di(nitrato-O,O')bis(tricyclohexylphosphine oxide-O)nickel(II)

Acta Crystallographica Section C

1,997

53

3

292

293

10.1107/S0108270196014229

0.71069

MoKα

0.1309

0.0416

null

0.0567

0.0463

null

1.452

null

has coordinates

Kennedy, A. R.; Sloss, S. W.; Spicer, M. D. cis-Di(nitrato-O,O')bis(tricyclohexylphosphine oxide-O)nickel(II) Acta Crystallographica Section C 53(3) (1997) 292-293

301,791

2025-08-18

23:15:28

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2,006,008

17.812

0.002

8.2826

0.0011

19.064

0.004

90

null

99.878

0.014

90

null

2,770.8

0.8

293

2

293

2

null

3

I 1 2/a 1

-I 2ya

15

meso-1.11-dimethylcyclotrideca-2.9-diyne-1.11-diol

- C15 H22 O2 -

- C120 H176 O16 -

8

1

NA1269

Boss, C.; Stoeckli-Evans, H.; Keese, R.

meso-1,11-Dimethylcyclotrideca-2,9-diyne-1,11-diol

Acta Crystallographica Section C

1,997

53

3

322

325

10.1107/S0108270196013789

0.71073

MoKα

0.1315

0.0739

null

0.1908

0.1482

null

1.109

1.182

null

has coordinates,has disorder

Boss, C.; Stoeckli-Evans, H.; Keese, R. meso-1,11-Dimethylcyclotrideca-2,9-diyne-1,11-diol Acta Crystallographica Section C 53(3) (1997) 322-325

301,791

2025-08-18

23:15:28

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2,006,009

17.779

0.002

8.238

0.001

18.881

0.003

90

null

99.92

0.01

90

null

2,724

0.6

193

2

193

2

null

3

I 1 2/a 1

-I 2ya

15

meso-1.11-dimethylcyclotrideca-2.9-diyne-1.11-diol

- C15 H22 O2 -

- C120 H176 O16 -

8

1

NA1269

Boss, C.; Stoeckli-Evans, H.; Keese, R.

meso-1,11-Dimethylcyclotrideca-2,9-diyne-1,11-diol

Acta Crystallographica Section C

1,997

53

3

322

325

10.1107/S0108270196013789

0.71073

MoKα

0.127

0.0723

null

0.1997

0.1467

null

1.159

1.128

null

has coordinates

Boss, C.; Stoeckli-Evans, H.; Keese, R. meso-1,11-Dimethylcyclotrideca-2,9-diyne-1,11-diol Acta Crystallographica Section C 53(3) (1997) 322-325

301,791

2025-08-18

23:15:28

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2,006,010

8.1524

0.0008

9.3328

0.0004

11.4597

0.0006

66.924

0.004

78.185

0.006

83.396

0.005

784.56

0.1

293

null

5

P -1

-P 1

2

N-bezenesulfonyl-3-methylbenz[f]indole

- C19 H15 N O2 S -

- C38 H30 N2 O4 S2 -

2

1

NA1271

Yokum, T. S.; Fronczek, F. R.

N-Phenylsulfonyl-3-methylbenz[f]indole

Acta Crystallographica Section C

1,997

53

3

362

363

10.1107/S0108270196014187

1.54184

CuKα

null

0.037

null

0.056

null

1.572

null

has coordinates

Yokum, T. S.; Fronczek, F. R. N-Phenylsulfonyl-3-methylbenz[f]indole Acta Crystallographica Section C 53(3) (1997) 362-363

301,791

2025-08-18

23:15:28

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2,006,011

9.269

0.002

6.459

0.002

13.989

0.002

90

null

106.43

0.02

90

null

803.3

0.3

293

2

293

2

null

3

P 1 21 1

P 2yb

4

3α,4α-epoxy-5α-androstan-17-one

- C19 H28 O2 -

- C38 H56 O4 -

2

1

NA1273

Paixão, J. A.; Ramos Silva, M.; de Almeida, M. J.; Tavares da Silva, E. J.; Sá e Melo, M. L.; Campos Neves, A. S.

3α,4α-Epoxy-5α-androstan-17-one

Acta Crystallographica Section C

1,997

53

3

347

349

10.1107/S0108270196014394

0.7093

MoKα

0.0576

0.0348

null

0.1036

0.0891

null

1.004

1

null

has coordinates

Paixão, J. A.; Ramos Silva, M.; de Almeida, M. J.; Tavares da Silva, E. J.; Sá e Melo, M. L.; Campos Neves, A. S. 3α,4α-Epoxy-5α-androstan-17-one Acta Crystallographica Section C 53(3) (1997) 347-349

301,791

2025-08-18

23:15:28

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2,006,012

13.636

0.002

12.597

0.002

13.794

0.001

90

null

97.875

0.009

90

null

2,347.1

0.5

296.2

null

296.2

null

4

P 1 21/a 1

-P 2yab

14

fluorescein sodium

sodium 2-(3-oxo-sodioxy-3H-xanthen-9-yl)benzoate

- C20 H26 Na2 O13 -

- C80 H104 Na8 O52 -

4

1

OA1007

Yamaguchi, K.; Tamura, Z.; Maeda, M.

Disodium Fluorescein Octahydrate

Acta Crystallographica Section C

1,997

53

3

284

285

10.1107/S0108270196010487

1.5418

CuKα

null

0.0637

null

0.0777

null

2.114

null

has coordinates

Yamaguchi, K.; Tamura, Z.; Maeda, M. Disodium Fluorescein Octahydrate Acta Crystallographica Section C 53(3) (1997) 284-285

199,684

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-08-09 18:13:17 +0300 (Wed, 09 Aug 2017) $ #$Revision: 199684 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/60/2006012.cif $ #-------------------------------------------------------------------...

2,006,013

8.137

0.002

12.363

0.002

10.537

0.002

90

0.02

98.77

0.02

90

0.02

1,047.6

0.4

293

2

293

2

null

5

P 1 21 1

P 2yb

4

- C20 H23 Cl O6 Si -

- C40 H46 Cl2 O12 Si2 -

2

1

OA1012

White, J. M.; Riches, A. G.; Cameron, D. W.; Griffiths, P. G.

(1α,4aβ,9aβ)-4a-Acetoxy-9a-chloro-1-methoxy-3-trimethylsiloxy-1,4,4a,9,9a,10-hexahydroanthracene-9,10-dione

Acta Crystallographica Section C

1,997

53

3

386

387

10.1107/S0108270196013595

1.5418

CuKα(Nifiltered)

0.0438

0.0397

null

0.1046

0.0977

null

1.235

1.196

null

has coordinates,has Fobs

White, J. M.; Riches, A. G.; Cameron, D. W.; Griffiths, P. G. (1α,4aβ,9aβ)-4a-Acetoxy-9a-chloro-1-methoxy-3-trimethylsiloxy-1,4,4a,9,9a,10-hexahydroanthracene-9,10-dione Acta Crystallographica Section C 53(3) (1997) 386-387

301,791

2025-08-18

23:15:28

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2,006,014

11.813

0.002

6.41

0.002

30.552

0.004

90

null

91.58

0.01

90

null

2,312.6

0.9

293

2

293

2

null

5

P 1 21/c 1

-P 2ybc

14

Substituted βeta\-lactam

N-(1'-thiophenyl)benzyl-3-phenyl-4-phenoxy-azetidine-2-one

- C28 H23 N O2 S -

- C112 H92 N4 O8 S4 -

4

1

PA1239

Srirajan, V.; Bhawal, B. M.; Puranik, V. G.

Novel Protective Group in β-Lactam Chemistry: 3-Phenoxy-4-phenyl-N-[α-(phenylthio)benzyl]azetidin-2-one

Acta Crystallographica Section C

1,997

53

3

358

360

10.1107/S0108270196011973

0.7093

MoKα

0.0971

0.0677

null

0.2597

0.1983

null

1.127

1.039

null

has coordinates

Srirajan, V.; Bhawal, B. M.; Puranik, V. G. Novel Protective Group in β-Lactam Chemistry: 3-Phenoxy-4-phenyl-N-[α-(phenylthio)benzyl]azetidin-2-one Acta Crystallographica Section C 53(3) (1997) 358-360

301,791

2025-08-18

23:15:28

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4,322,106

13.047

0.003

15.018

0.003

21.66

0.004

90

null

101.77

0.03

90

null

4,154.8

1.5

293

2

293

2

null

9

P 1 21/c 1

-P 2ybc

14

monoironcyanide-bipy-platinum-chloride

cyclopentadienydiphenylphospineetheneiron cyanide-2,2'-dipyridylmonochloroplatinum-hexafluroantimonate

- C42 H37 Cl F6 Fe N3 P2 Pt Sb -

- C168 H148 Cl4 F24 Fe4 N12 P8 Pt4 Sb4 -

4

1

Guy N. Richardson; Udo Brand; Heinrich Vahrenkamp

Linear and Bent M(μ-CN)Pt(μ-CN)M Chains: Probes for Remote Metal-Metal Interactions

Inorganic Chemistry

1,999

38

3070

3079

10.1021/ic981384l

0.71073

MoKα

0.0717

0.0324

null

0.073

0.0865

null

1.032

null

has coordinates

Guy N. Richardson; Udo Brand; Heinrich Vahrenkamp Linear and Bent M(μ-CN)Pt(μ-CN)M Chains: Probes for Remote Metal-Metal Interactions Inorganic Chemistry 38 (1999) 3070-3079

179,324

2020-10-21

18:00:00

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2,006,015

11.049

0.006

17.638

0.003

15.894

0.002

90

null

91.12

0.02

90

null

3,096.9

1.8

295

1

295

1

null

5

P 1 21/n 1

-P 2yn

14

- C29 H15 O10 Os3 P -

- C116 H60 O40 Os12 P4 -

4

1

SK1030

Capparelli, M. V.; De Sanctis, Y.; Arce, A. J.; Spodine, E.

Nonacarbonyl[μ~3~-(1,2-diphenylethyl)phenylphosphinito]triosmium(2 Os—Os)

Acta Crystallographica Section C

1,997

53

3

302

305

10.1107/S0108270196008219

0.71069

MoKα

null

0.0454

null

0.0552

null

3.2

null

has coordinates

Capparelli, M. V.; De Sanctis, Y.; Arce, A. J.; Spodine, E. Nonacarbonyl[μ~3~-(1,2-diphenylethyl)phenylphosphinito]triosmium(2 Os—Os) Acta Crystallographica Section C 53(3) (1997) 302-305

176,759

2020-10-21

18:00:00

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2,006,016

20.7727

0.0002

20.7727

0.0002

36.6751

0.0001

90

null

90

null

90

null

15,825.5

0.2

150

null

150

null

3

I 41/a :2

-I 4ad

88

[Bis-(2-Hydroxy-4,4-dimethyl-6-oxo-1-cyclohexenyl)]-phenyl-methane

- C23 H28 O4 -

- C736 H896 O128 -

32

2

SK1062

Bolte, M.; Degen, A.; Rühl, S.

Twinned Crystal Structure of Bis(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexenyl)phenylmethane at 150K

Acta Crystallographica Section C

1,997

53

3

340

342

10.1107/S0108270196013078

0.71073

MoKα

0.0441

0.0392

null

0.0855

0.0825

null

1.18

1.178

null

has coordinates,has Fobs

Bolte, M.; Degen, A.; Rühl, S. Twinned Crystal Structure of Bis(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexenyl)phenylmethane at 150K Acta Crystallographica Section C 53(3) (1997) 340-342

301,791

2025-08-18

23:15:28

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2,006,017

15.279

0.004

9.812

0.003

18.178

0.004

90

null

111.96

0.02

90

null

2,527.5

1.2

297

null

24

null

5

P 1 21/n 1

-P 2yn

14

- C24 H34 N4 O5 S -

- C96 H136 N16 O20 S4 -

4

1

TA1073

Iwata, M.; Nagase, H.; Endo, T.; Ueda, H.

Glimepiride

Acta Crystallographica Section C

1,997

53

3

329

331

10.1107/S0108270196002363

1.5418

CuKα

null

0.046

null

0.077

null

2.43

null

has coordinates

Iwata, M.; Nagase, H.; Endo, T.; Ueda, H. Glimepiride Acta Crystallographica Section C 53(3) (1997) 329-331

301,791

2025-08-18

23:15:28

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2,006,018

5.352

0.002

15.186

0.002

12.013

0.001

90

null

95.87

0.02

90

null

971.2

0.4

296

null

296

null

5

P 1 21/c 1

-P 2ybc

14

N-carbamoylmethyl-pyridinium perchlorate

- C7 H9 Cl N2 O5 -

- C28 H36 Cl4 N8 O20 -

4

1

TA1092

Sakai, K.; Ikuta, Y.; Shiomi, M.; Tamane, T.; Tomita, Y.; Tsubomura, T.; Nemoto, N.

N-(Carbamoylmethyl)pyridinium Perchlorate and N-(Carbamoylmethyl)-N'-methyl-4,4'-bipyridinium Diperchlorate Hydrate

Acta Crystallographica Section C

1,997

53

3

331

334

10.1107/S010827019601311X

1.54178

CuKα

null

0.0559

null

0.0766

null

2.9

null

has coordinates

Sakai, K.; Ikuta, Y.; Shiomi, M.; Tamane, T.; Tomita, Y.; Tsubomura, T.; Nemoto, N. N-(Carbamoylmethyl)pyridinium Perchlorate and N-(Carbamoylmethyl)-N'-methyl-4,4'-bipyridinium Diperchlorate Hydrate Acta Crystallographica Section C 53(3) (1997) 331-334

301,791

2025-08-18

23:15:28

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2,006,019

11.528

0.003

8.643

0.003

19.141

0.002

90

null

106.56

0.01

90

null

1,828

0.8

296

null

296

null

5

P 1 21/c 1

-P 2ybc

14

N-carbamoylmethyl-N'-methyl-4,4'-bipyridinium bis(perchlorate) hydrate

- C13 H17 Cl2 N3 O10 -

- C52 H68 Cl8 N12 O40 -

4

1

TA1092

Sakai, K.; Ikuta, Y.; Shiomi, M.; Tamane, T.; Tomita, Y.; Tsubomura, T.; Nemoto, N.

N-(Carbamoylmethyl)pyridinium Perchlorate and N-(Carbamoylmethyl)-N'-methyl-4,4'-bipyridinium Diperchlorate Hydrate

Acta Crystallographica Section C

1,997

53

3

331

334

10.1107/S010827019601311X

1.54178

CuKα

null

0.0569

null

0.0624

null

2.89

null

has coordinates

Sakai, K.; Ikuta, Y.; Shiomi, M.; Tamane, T.; Tomita, Y.; Tsubomura, T.; Nemoto, N. N-(Carbamoylmethyl)pyridinium Perchlorate and N-(Carbamoylmethyl)-N'-methyl-4,4'-bipyridinium Diperchlorate Hydrate Acta Crystallographica Section C 53(3) (1997) 331-334

301,791

2025-08-18

23:15:28

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2,006,020

9.447

0.001

10.037

0.002

17.04

0.002

90

null

100.21

0.01

90

null

1,590.1

0.4

296.2

null

296.2

null

3

P 1 21 1

P 2yb

4

- C37 H42 O6 -

- C74 H84 O12 -

2

1

TA1108

Nishikawa, K.; Matsumoto, A.; Tsukada, H.; Shiro, M.; Toda, F.

Inclusion Complex of (S)-1,3-Butanediol with (S,S)-(+)-trans-2,3-Bis(hydroxydiphenylmethyl)-1,4-dioxaspiro[4.4]nonane

Acta Crystallographica Section C

1,997

53

3

351

353

10.1107/S0108270196014175

1.5418

CuKα

null

0.0432

null

0.0553

null

1.26

null

has coordinates

Nishikawa, K.; Matsumoto, A.; Tsukada, H.; Shiro, M.; Toda, F. Inclusion Complex of (S)-1,3-Butanediol with (S,S)-(+)-trans-2,3-Bis(hydroxydiphenylmethyl)-1,4-dioxaspiro[4.4]nonane Acta Crystallographica Section C 53(3) (1997) 351-353

301,791

2025-08-18

23:15:28

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4,322,105

12.074

0.002

12.22

0.002

15.434

0.003

80.89

0.03

88.36

0.03

79.76

0.03

2,212.7

0.7

293

2

293

2

null

9

P -1

-P 1

2

- C42.78 H39 Cl0.22 F6 Fe N3.78 P2 Pt Sb -

- C42.82 H39 Cl0.18 F6 Fe N3.82 P2 Pt Sb -

- C85.64 H78 Cl0.36 F12 Fe2 N7.64 P4 Pt2 Sb2 -

2

1

Guy N. Richardson; Udo Brand; Heinrich Vahrenkamp

Linear and Bent M(μ-CN)Pt(μ-CN)M Chains: Probes for Remote Metal-Metal Interactions

Inorganic Chemistry

1,999

38

3070

3079

10.1021/ic981384l

0.71073

MoKα

0.0876

0.0569

null

0.143

0.1624

null

1.078

null

has coordinates

Guy N. Richardson; Udo Brand; Heinrich Vahrenkamp Linear and Bent M(μ-CN)Pt(μ-CN)M Chains: Probes for Remote Metal-Metal Interactions Inorganic Chemistry 38 (1999) 3070-3079

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/4/32/21/4322105.cif $ #-------------------------------------------------------------------...

2,006,021

13.081

0.002

13.473

0.002

17.148

0.003

90

null

93.73

0.01

90

null

3,015.8

0.8

295.2

null

295.2

null

6

P 1 21/c 1

-P 2ybc

14

- C30 H18 Cl4 N4 O5 S2 -

- C120 H72 Cl16 N16 O20 S8 -

4

1

TA1116

Cox, O.; Cordero, M.; Piñeiro, S.; Huang, S. D.

Bis[(E)-2-(2,4-dichloro-5-nitrostyryl)-1,3-benzothiazole] Hydrate

Acta Crystallographica Section C

1,997

53

3

310

311

10.1107/S0108270196013352

0.7107

MoKα

null

0.0706

null

0.0936

null

2.161

null

has coordinates

Cox, O.; Cordero, M.; Piñeiro, S.; Huang, S. D. Bis[(E)-2-(2,4-dichloro-5-nitrostyryl)-1,3-benzothiazole] Hydrate Acta Crystallographica Section C 53(3) (1997) 310-311

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/2/00/60/2006021.cif $ #-------------------------------------------------------------------...

2,006,022

9.977

0.004

5.757

0.004

16.047

0.003

90

null

96.26

0.02

90

null

916.2

0.8

296

1

296

1

null

4

P 1 21 1

P 2yb

4

- C17 H26 N2 O5 -

- C34 H52 N4 O10 -

2

1

TA1117

Burkett, B. A.; Chai, C. L. L.; Hockless, D. C. R.

1-Acetyl-4-[(1R,2S,5R)-3-menthyloxycarbonyl]piperazine-2,5-dione

Acta Crystallographica Section C

1,997

53

3

327

329

10.1107/S0108270196013753

1.5418

CuKα

0.0983

null

0.0448

null

1.989

null

has coordinates

Burkett, B. A.; Chai, C. L. L.; Hockless, D. C. R. 1-Acetyl-4-[(1R,2S,5R)-3-menthyloxycarbonyl]piperazine-2,5-dione Acta Crystallographica Section C 53(3) (1997) 327-329

301,791

2025-08-18

23:15:28

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2,006,023

13.683

0.003

5.317

0.001

13.717

0.003

90

null

119.67

0.03

90

null

867.1

0.4

293

2

293

2

null

5

P 1 21/n 1

-P 2yn

14

sodium manganese fluoride phosphate

- F Mn Na2 O4 P -

- F8 Mn8 Na16 O32 P8 -

8

2

AB1400

Yakubovich, O. V.; Karimova, O. V.; Mel'nikov, O. K.

The Mixed Anionic Framework in the Structure of Na~2~{MnF[PO~4~]}

Acta Crystallographica Section C

1,997

53

4

395

397

10.1107/S0108270196014102

0.71069

MoKα

0.037

0.0367

null

0.0974

0.0972

null

1.292

1.293

null

has coordinates

Yakubovich, O. V.; Karimova, O. V.; Mel'nikov, O. K. The Mixed Anionic Framework in the Structure of Na~2~{MnF[PO~4~]} Acta Crystallographica Section C 53(4) (1997) 395-397

176,759

2020-10-21

18:00:00

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2,006,024

23.986

0.003

14.076

0.002

10.493

0.002

90

null

90

null

90

null

3,542.7

1

295

null

4

P b c a

-P 2ac 2ab

61

- C20 H25 N3 O2 -

- C160 H200 N24 O16 -

8

1

AB1419

Tahir, M. N.; Ülkü, D.; Demir, A. S.; Mohammadi, M.; Özgül, E.

13-Phenyl-11,13,15-triazatricyclo[8.5.2.0^11,15^]heptadec-16-ene-12,14-dione

Acta Crystallographica Section C

1,997

53

4

496

498

10.1107/S0108270196015284

0.71069

MoKα

null

0.052

null

0.056

null

0.86

null

has coordinates

Tahir, M. N.; Ülkü, D.; Demir, A. S.; Mohammadi, M.; Özgül, E. 13-Phenyl-11,13,15-triazatricyclo[8.5.2.0^11,15^]heptadec-16-ene-12,14-dione Acta Crystallographica Section C 53(4) (1997) 496-498

301,791

2025-08-18

23:15:28

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2,006,025

7.435

0.002

18.709

0.003

7.5618

0.0013

90

null

113.078

0.014

90

null

967.7

0.4

294

null

294

null

5

P 1 21/a 1

-P 2yab

14

bis(3-methyladenine)dichlorodimethyltin(IV)

- C14 H20 Cl2 N10 Sn -

- C28 H40 Cl4 N20 Sn2 -

2

0.5

AB1424

Hazell, A.; Ouyang, J.; Khoo, L. E.

Dichlorodimethylbis(3-methyladenine-N^7^)tin(IV)

Acta Crystallographica Section C

1,997

53

4

406

408

10.1107/S0108270196015132

0.71073

MoKα

null

0.043

null

0.054

null

1.81

null

has coordinates

Hazell, A.; Ouyang, J.; Khoo, L. E. Dichlorodimethylbis(3-methyladenine-N^7^)tin(IV) Acta Crystallographica Section C 53(4) (1997) 406-408

190,732

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-01-19 18:22:45 +0200 (Thu, 19 Jan 2017) $ #$Revision: 190732 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/60/2006025.cif $ #-------------------------------------------------------------------...

2,006,026

10.3121

0.0012

13.9765

0.0012

14.973

0.002

101.622

0.008

104.206

0.01

99.248

0.008

1,998.3

0.4

294

1

294

1

null

5

P -1

-P 1

2

11,17-Di-tert-butyl-25,26,27,28-tetrahydroxy-2,5,23-trimethyl-14-(4-nitro- phenyl)calix[4]arene Hemichloroform Solvate

- C45.5 H49.5 Cl1.5 N O6 -

- C91 H99 Cl3 N2 O12 -

2

1

AB1430

Böhmer, V.; Ferguson, G.; Grüttner, C.; Vogt, W.

Intra- and Intermolecular Hydrogen Bonding in a Tetrahydroxycalix[4]arene

Acta Crystallographica Section C

1,997

53

4

469

472

10.1107/S0108270196015508

0.7107

MolybdenumKα

0.2328

0.0536

null

0.1803

0.1323

null

0.847

1.256

null

has coordinates,has disorder

Böhmer, V.; Ferguson, G.; Grüttner, C.; Vogt, W. Intra- and Intermolecular Hydrogen Bonding in a Tetrahydroxycalix[4]arene Acta Crystallographica Section C 53(4) (1997) 469-472

301,791

2025-08-18

23:15:28

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2,006,027

6.641

0.001

10.005

0.002

10.114

0.003

84.42

0.02

73.52

0.01

78.45

0.01

630.8

0.2

293

2

293

2

null

6

P -1

-P 1

2

- C10 H10 Cl3 Mn N2 O -

- C20 H20 Cl6 Mn2 N4 O2 -

2

1

AV1000

Tesouro, A.; Corbella, M.; Stoeckli-Evans, H.

Aqua(2,2'-bipyridyl-N,N')trichloromanganese(III)

Acta Crystallographica Section C

1,997

53

4

430

432

10.1107/S0108270196014333

0.71073

MoKα

0.1022

0.0691

null

0.2508

0.192

null

1.027

1.145

null

has coordinates

Tesouro, A.; Corbella, M.; Stoeckli-Evans, H. Aqua(2,2'-bipyridyl-N,N')trichloromanganese(III) Acta Crystallographica Section C 53(4) (1997) 430-432

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/2/00/60/2006027.cif $ #-------------------------------------------------------------------...

2,006,028

11.799

0.002

25.195

0.004

9.009

0.002

90

0.01

90

0.02

90

0.01

2,678.2

0.9

293

2

293

2

null

5

P b c a

-P 2ac 2ab

61

N,N'-bispentafluorophenylurea

- C13 H2 F10 N2 O -

- C104 H16 F80 N16 O8 -

8

1

BK1165

Jai-nhuknan, J.; Karipides, A. G.; Hughes, J. M.; Cantrell, J. S.

N,N'-Bis(pentafluorophenyl)urea

Acta Crystallographica Section C

1,997

53

4

455

457

10.1107/S010827019601428X

0.71069

MoKα

0.087

0.049

null

0.107

0.0951

null

1.021

1.149

null

has coordinates

Jai-nhuknan, J.; Karipides, A. G.; Hughes, J. M.; Cantrell, J. S. N,N'-Bis(pentafluorophenyl)urea Acta Crystallographica Section C 53(4) (1997) 455-457

301,791

2025-08-18

23:15:28

#------------------------------------------------------------------------------ #$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/2/00/60/2006028.cif $ #-------------------------------------------------------------------...

2,006,029

7.279

0.001

8.455

0.002

11.408

0.002

67.73

0.01

85.15

0.01

84.51

0.02

645.9

0.2

293

2

293

2

null

5

P -1

-P 1

2

adeninium-2-fluorobenzoatemonohydrate

2-aminopurinium-2-fluorobenzoatemonohydrate

- C12 H12 F N5 O3 -

- C24 H24 F2 N10 O6 -

2

1

BK1179

Jai-nhuknan, J.; Karipides, A. G.; Cantrell, J. S.

1-Adeninium 2-Fluorobenzoate Monohydrate

Acta Crystallographica Section C

1,997

53

4

454

455

10.1107/S0108270196014825

0.71069

MoKα

0.0554

0.045

null

0.124

0.1161

null

1.05

1.089

null

has coordinates

Jai-nhuknan, J.; Karipides, A. G.; Cantrell, J. S. 1-Adeninium 2-Fluorobenzoate Monohydrate Acta Crystallographica Section C 53(4) (1997) 454-455

301,791

2025-08-18

23:15:28

#------------------------------------------------------------------------------ #$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/2/00/60/2006029.cif $ #-------------------------------------------------------------------...

2,006,030

9.639

0.002

16.346

0.002

24.1086

0.0014

90

null

90.563

0.009

90

null

3,798.3

0.9

295

2

295

2

null

6

P 1 21/c 1

-P 2ybc

14

- C8 H28 B8 Cl Ir P2 -

- C8 H18 B8 Cl Ir P2 -

- C64 H144 B64 Cl8 Ir8 P16 -

8

2

BK1240

Bould, J.; Rath, N. P.; Barton, L.

The isonido-Metalladicarbaborane [1,1,1-H{P(CH~3~)~3~}~2~-6-Cl-1,2,4-IrC~2~B~8~H~9~]

Acta Crystallographica Section C

1,997

53

4

416

419

10.1107/S0108270196014199

0.71073

MoKα

0.1329

0.062

null

0.137

0.1102

null

1.024

1.112

null

has coordinates

Bould, J.; Rath, N. P.; Barton, L. The isonido-Metalladicarbaborane [1,1,1-H{P(CH~3~)~3~}~2~-6-Cl-1,2,4-IrC~2~B~8~H~9~] Acta Crystallographica Section C 53(4) (1997) 416-419

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/2/00/60/2006030.cif $ #-------------------------------------------------------------------...

4,322,104

12.723

0.002

14.047

0.003

16.943

0.003

66.07

0.02

79.838

0.012

81.616

0.014

2,715.1

1

570

2

570

2

null

5

P -1

-P 1

2

- C45 H45 N15 O25 Y2 -

- C90 H90 N30 O50 Y4 -

2

1

C. Platas; F. Avecilla; A. de Blas; C. F. G. C. Geraldes; T. Rodríguez-Blas; H. Adams; J. Mahía

1H NMR in Solution and Solid State Structural Study of Lanthanide(III) Cryptates

Inorganic Chemistry

1,999

38

3190

3199

10.1021/ic981314e

0.71073

MoKα

0.1184

0.089

null

0.2618

0.2333

null

1.047

1.065

null

has coordinates,has disorder

C. Platas; F. Avecilla; A. de Blas; C. F. G. C. Geraldes; T. Rodríguez-Blas; H. Adams; J. Mahía 1H NMR in Solution and Solid State Structural Study of Lanthanide(III) Cryptates Inorganic Chemistry 38 (1999) 3190-3199

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/4/32/21/4322104.cif $ #-------------------------------------------------------------------...

2,006,031

9.3531

0.0001

11.264

0.0002

14.1166

0.0002

96.705

0.001

93.814

0.001

111.296

0.001

1,366.63

0.04

173

2

173

2

null

6

P -1

-P 1

2

- C23 H38 Cl N3 Si2 W -

- C46 H76 Cl2 N6 Si4 W2 -

2

1

BK1269

Wang, S.-Y. S.; Boncella, J. M.; Abboud, K. A.

A Chelate-Stabilized Tungsten‒Imido‒Monoalkyl Complex, [WCl(PhN)(CH~2~CMe~3~){o-C~6~H~4~(NSiMe~3~)~2~}]

Acta Crystallographica Section C

1,997

53

4

436

438

10.1107/S0108270196014370

0.71073

MoKα

0.0376

0.034

null

0.091

0.085

null

1.08

1.068

null

has coordinates

Wang, S.-Y. S.; Boncella, J. M.; Abboud, K. A. A Chelate-Stabilized Tungsten‒Imido‒Monoalkyl Complex, [WCl(PhN)(CH~2~CMe~3~){o-C~6~H~4~(NSiMe~3~)~2~}] Acta Crystallographica Section C 53(4) (1997) 436-438

201,955

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-10-13 03:08:28 +0300 (Fri, 13 Oct 2017) $ #$Revision: 201955 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/60/2006031.cif $ #-------------------------------------------------------------------...

2,006,032

12.0128

0.001

12.0128

0.001

35.16

0.003

90

null

90

null

120

null

4,394.1

0.6

163

2

null

4

R -3 c :H

-R 3 2"c

167

Tetraethylammonium Bromide

EthanaminiumN,N,N-triethyl Bromide

- C8 H20 Br N -

- C144 H360 Br18 N18 -

18

0.5

BK1293

Ralle, M.; Bryan, J. C.; Habenschuss, A.; Wunderlich, B.

Low-Temperature Phase of Tetraethylammonium Bromide

Acta Crystallographica Section C

1,997

53

4

488

490

10.1107/S0108270196015399

0.71073

MoKα

0.054

0.026

null

0.071

0.061

null

1.06

1.1

null

has coordinates

Ralle, M.; Bryan, J. C.; Habenschuss, A.; Wunderlich, B. Low-Temperature Phase of Tetraethylammonium Bromide Acta Crystallographica Section C 53(4) (1997) 488-490

301,791

2025-08-18

23:15:28

#------------------------------------------------------------------------------ #$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/2/00/60/2006032.cif $ #-------------------------------------------------------------------...

2,006,033

12.995

0.001

12.995

null

7.143

0.001

90

null

90

null

90

null

1,206.24

0.19

170

null

170

null

5

I -4

82

- C24 H21 P S4 W -

- C24 H24 P S4 W -

- C48 H48 P2 S8 W2 -

2

0.25

BK1296

Parvez, M.; Boorman, P. M.; Wang, M.

Tetraphenylphosphonium (Hydrogensulfido-S)trisulfidotungstate(VI)

Acta Crystallographica Section C

1,997

53

4

413

414

10.1107/S0108270196015405

0.71069

MoKα

null

0.024

null

0.023

null

1.4

null

has coordinates

Parvez, M.; Boorman, P. M.; Wang, M. Tetraphenylphosphonium (Hydrogensulfido-S)trisulfidotungstate(VI) Acta Crystallographica Section C 53(4) (1997) 413-414

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/2/00/60/2006033.cif $ #-------------------------------------------------------------------...

2,006,034

14.0082

0.0008

10.803

0.001

14.581

0.001

90

null

116.625

0.008

90

null

1,972.6

0.3

295

null

295

null

6

P 1 21/n 1

-P 2yn

14

bis[1-methyl-3-(2-propenyl)-2(3H)-imidazolethione]dichlorozinc(II)

- C14 H20 Cl2 N4 S2 Zn -

- C56 H80 Cl8 N16 S8 Zn4 -

4

1

BK1301

Williams, D. J.; Ly, T. A.; Mudge, J. W.; Pennington, W. T.; Schimek, G. L.

Dichlorobis[1-methyl-3-(prop-2-enyl)imidazole-2(3H)-thione-S]zinc(II)

Acta Crystallographica Section C

1,997

53

4

415

416

10.1107/S0108270196013984

0.71073

MoKα

0.0626

0.043

null

0.0431

0.044

null

1.85

null

has coordinates

Williams, D. J.; Ly, T. A.; Mudge, J. W.; Pennington, W. T.; Schimek, G. L. Dichlorobis[1-methyl-3-(prop-2-enyl)imidazole-2(3H)-thione-S]zinc(II) Acta Crystallographica Section C 53(4) (1997) 415-416

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/2/00/60/2006034.cif $ #-------------------------------------------------------------------...

2,006,035

10.3344

0.0007

10.8162

0.0007

11.362

0.0007

90

null

108.73

0.006

90

null

1,202.77

0.14

296

null

296

null

4

P 1 21 1

null

3α,7α,12α-Trihydroxy-5β-cholan-24-amide Dihydrate

- C24 H45 N O6 -

- C48 H90 N2 O12 -

2

1

BK1304

Wahle, M. C.; Fanwick, P. E.; Byrn, S. R.

Cholamide Dihydrate

Acta Crystallographica Section C

1,997

53

4

480

482

10.1107/S0108270196014382

1.54184

CuKα

0.054

0.042

null

0.13

0.114

null

1.062

1.02

null

has coordinates

Wahle, M. C.; Fanwick, P. E.; Byrn, S. R. Cholamide Dihydrate Acta Crystallographica Section C 53(4) (1997) 480-482

301,791

2025-08-18

23:15:28

#------------------------------------------------------------------------------ #$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/2/00/60/2006035.cif $ #-------------------------------------------------------------------...

2,006,036

20.52

0.004

10.835

0.002

12.333

0.002

90

null

123.73

0.03

90

null

2,280.5

1.1

293

2

293

2

null

5

C 1 2/c 1

-C 2yc

15

Dichlorobis(4-methylpiperidine)(4-methylpyridine)nickel(II)

- C18 H33 Cl2 N3 Ni -

- C72 H132 Cl8 N12 Ni4 -

4

0.5

BM1072

Koman, M.; Jóna, E.; Kopál, I.

Structural Investigation of Ni^II^ Complexes. XI. Dichlorobis(4-methylpiperidine-N)(4-methylpyridine-N)nickel(II)

Acta Crystallographica Section C

1,997

53

4

443

445

10.1107/S010827019601284X

0.71073

MoKα

0.0389

0.0373

null

0.1022

0.0916

null

1.106

null

has coordinates

Koman, M.; Jóna, E.; Kopál, I. Structural Investigation of Ni^II^ Complexes. XI. Dichlorobis(4-methylpiperidine-N)(4-methylpyridine-N)nickel(II) Acta Crystallographica Section C 53(4) (1997) 443-445

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/2/00/60/2006036.cif $ #-------------------------------------------------------------------...

2,006,037

8.814

0.006

9.992

0.009

19.774

0.018

90

null

91.6

0.07

90

null

1,741

3

293

2

293

2

null

3

P 1 21/n 1

-P 2yn

14

meso-1,1'-diphenyl-2,2,2',2'-tetrachlorobicyclopropyl

- C18 H14 Cl4 -

- C72 H56 Cl16 -

4

1

BM1102

Lam, Y.-L.; Koh, L.-L.; Huang, H.-H.

meso-2,2,2',2'-Tetrachloro-1,1'-diphenyl-1,1'-bicyclopropyl and meso-2,2,2',2'-Tetrabromo-1,1'-diphenyl-1,1'-bicyclopropyl

Acta Crystallographica Section C

1,997

53

4

499

504

10.1107/S0108270196015090

0.71073

MoKα

0.0635

0.0489

null

0.0711

0.0653

null

1.09

1.12

null

has coordinates

Lam, Y.-L.; Koh, L.-L.; Huang, H.-H. meso-2,2,2',2'-Tetrachloro-1,1'-diphenyl-1,1'-bicyclopropyl and meso-2,2,2',2'-Tetrabromo-1,1'-diphenyl-1,1'-bicyclopropyl Acta Crystallographica Section C 53(4) (1997) 499-504

301,791

2025-08-18

23:15:28

#------------------------------------------------------------------------------ #$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/2/00/60/2006037.cif $ #-------------------------------------------------------------------...

2,006,038

14.119

0.005

11.617

0.004

41.81

0.03

90

null

90

null

90

null

6,858

6

293

2

293

2

null

3

P b c a

-P 2ac 2ab

61

Meso-1,1'-diphenyl-2,2,2',2'-tetrachlorobicyclopropyl

- C18 H14 Cl4 -

- C288 H224 Cl64 -

16

2

BM1102

Lam, Y.-L.; Koh, L.-L.; Huang, H.-H.

meso-2,2,2',2'-Tetrachloro-1,1'-diphenyl-1,1'-bicyclopropyl and meso-2,2,2',2'-Tetrabromo-1,1'-diphenyl-1,1'-bicyclopropyl

Acta Crystallographica Section C

1,997

53

4

499

504

10.1107/S0108270196015090

0.71073

MoKα

0.0849

0.0464

null

0.0421

0.0361

null

1.06

1.65

null

has coordinates

Lam, Y.-L.; Koh, L.-L.; Huang, H.-H. meso-2,2,2',2'-Tetrachloro-1,1'-diphenyl-1,1'-bicyclopropyl and meso-2,2,2',2'-Tetrabromo-1,1'-diphenyl-1,1'-bicyclopropyl Acta Crystallographica Section C 53(4) (1997) 499-504

301,791

2025-08-18

23:15:28

#------------------------------------------------------------------------------ #$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/2/00/60/2006038.cif $ #-------------------------------------------------------------------...

4,322,103

10.896

0.002

12.566

0.004

17.688

0.003

81.23

0.02

89.5

0.01

84.72

0.03

2,383.3

1

293

2

293

2

null

5

P -1

-P 1

2

- C40 H54 Eu N11 O14 -

- C80 H108 Eu2 N22 O28 -

2

1

C. Platas; F. Avecilla; A. de Blas; C. F. G. C. Geraldes; T. Rodríguez-Blas; H. Adams; J. Mahía

1H NMR in Solution and Solid State Structural Study of Lanthanide(III) Cryptates

Inorganic Chemistry

1,999

38

3190

3199

10.1021/ic981314e

0.71073

MoKα

0.0624

0.0566

null

0.1528

0.1587

null

1.017

null

has coordinates,has disorder

C. Platas; F. Avecilla; A. de Blas; C. F. G. C. Geraldes; T. Rodríguez-Blas; H. Adams; J. Mahía 1H NMR in Solution and Solid State Structural Study of Lanthanide(III) Cryptates Inorganic Chemistry 38 (1999) 3190-3199

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/4/32/21/4322103.cif $ #-------------------------------------------------------------------...

2,006,039

8.432

0.002

9.586

0.002

11.187

0.002

87.19

0.02

85.51

0.02

78.87

0.02

884

0.3

293

2

293

2

null

3

P -1

-P 1

2

Meso-1,1'-diphenyl-2,2,2',2'-tetrabromobicyclopropyl

- C18 H14 Br4 -

- C36 H28 Br8 -

2

1

BM1102

Lam, Y.-L.; Koh, L.-L.; Huang, H.-H.

meso-2,2,2',2'-Tetrachloro-1,1'-diphenyl-1,1'-bicyclopropyl and meso-2,2,2',2'-Tetrabromo-1,1'-diphenyl-1,1'-bicyclopropyl

Acta Crystallographica Section C

1,997

53

4

499

504

10.1107/S0108270196015090

0.71073

MoKα

0.0581

0.0421

null

0.0645

0.0547

null

0.92

0.77

null

has coordinates

Lam, Y.-L.; Koh, L.-L.; Huang, H.-H. meso-2,2,2',2'-Tetrachloro-1,1'-diphenyl-1,1'-bicyclopropyl and meso-2,2,2',2'-Tetrabromo-1,1'-diphenyl-1,1'-bicyclopropyl Acta Crystallographica Section C 53(4) (1997) 499-504

301,791

2025-08-18

23:15:28

#------------------------------------------------------------------------------ #$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/2/00/60/2006039.cif $ #-------------------------------------------------------------------...

2,006,040

7.4918

0.0007

11.3118

0.0013

24.245

0.003

90

null

90

null

90

null

2,054.7

0.4

293

2

293

2

null

3

P 21 21 21

P 2ac 2ab

19

(3aS,6R,7R,7aR)-Menthyl 1,6,7,7a-tetrahydro-3,3-dimethyl-1-oxo-3a,6- epoxyisobenzofuran-7-carboxylate

- C21 H30 O5 -

- C84 H120 O20 -

4

1

BM1116

Breu, J.; Butz, T.; Range, K.-J.; Sauer, J.

Configurations of Cycloadducts Formed in Asymmetric Intramolecular Diels–Alder Reactions

Acta Crystallographica Section C

1,997

53

4

515

517

10.1107/S010827019601579X

0.71069

MoKα

0.0504

0.0367

null

0.0875

0.0821

null

1.016

1.075

null

has coordinates

Breu, J.; Butz, T.; Range, K.-J.; Sauer, J. Configurations of Cycloadducts Formed in Asymmetric Intramolecular Diels–Alder Reactions Acta Crystallographica Section C 53(4) (1997) 515-517

301,791

2025-08-18

23:15:28

#------------------------------------------------------------------------------ #$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/2/00/60/2006040.cif $ #-------------------------------------------------------------------...

2,006,041

7.73

0.001

9.4267

0.001

9.9854

0.001

79.235

0.008

88.902

0.01

75.125

0.009

690.54

0.14

293

2

293

2

null

3

P -1

-P 1

2

(3S,3aS,6R,7R,7aR)-Menthyl-1,6,7,7a-tetrahydro-3-(1,1-dimethylethyl)-1-oxo- 3H-3a,6-epoxyisobenzofuran-7-carboxylate

- C14 H18 O5 -

- C28 H36 O10 -

2

1

BM1116

Breu, J.; Butz, T.; Range, K.-J.; Sauer, J.

Configurations of Cycloadducts Formed in Asymmetric Intramolecular Diels–Alder Reactions

Acta Crystallographica Section C

1,997

53

4

515

517

10.1107/S010827019601579X

0.71069

MoKα

0.0478

0.0402

null

0.1175

0.113

null

1.055

1.123

null

has coordinates

Breu, J.; Butz, T.; Range, K.-J.; Sauer, J. Configurations of Cycloadducts Formed in Asymmetric Intramolecular Diels–Alder Reactions Acta Crystallographica Section C 53(4) (1997) 515-517

301,791

2025-08-18

23:15:28

#------------------------------------------------------------------------------ #$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/2/00/60/2006041.cif $ #-------------------------------------------------------------------...

2,006,042

12.928

0.005

5.546

0.005

16.445

0.005

90

null

92.392

0.005

90

null

1,178.1

1.2

150

2

150

2

null

5

P 1 21/a 1

-P 2yab

14

2-Methylamino-5-chlorobenzophenone

- C14 H12 Cl N O -

- C56 H48 Cl4 N4 O4 -

4

1

BM1125

Cox, P. J.; Anisuzzaman, A. T. Md.; Skellern, G. G.; Pryce-Jones, R. H.; Florence, A. J.; Shankland, N.

2-Methylamino-5-chlorobenzophenone

Acta Crystallographica Section C

1,997

53

4

476

477

10.1107/S0108270196014928

0.71069

MoKα

0.0569

0.033

null

0.0708

0.064

null

0.736

0.881

null

has coordinates

Cox, P. J.; Anisuzzaman, A. T. Md.; Skellern, G. G.; Pryce-Jones, R. H.; Florence, A. J.; Shankland, N. 2-Methylamino-5-chlorobenzophenone Acta Crystallographica Section C 53(4) (1997) 476-477

301,791

2025-08-18

23:15:28

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2,006,043

12.533

0.003

7.262

0.001

11.259

0.003

90

null

111.3

0.02

90

null

954.7

0.4

293

null

3

C 1 2/c 1

-C 2yc

15

- Ge O3 Sr -

- Ge12 O36 Sr12 -

12

1.5

BR1159

Nishi, F.

Strontium Metagermanate, SrGeO~3~

Acta Crystallographica Section C

1,997

53

4

399

401

10.1107/S0108270196013960

0.71073

MoKα

null

0.048

null

0.033

null

1.37

null

has coordinates

Nishi, F. Strontium Metagermanate, SrGeO~3~ Acta Crystallographica Section C 53(4) (1997) 399-401

301,791

2025-08-18

23:15:28

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2,006,044

7.238

0.001

22.149

0.003

11.244

0.001

90

null

90

null

90

null

1,802.6

0.4

173

2

173

2

null

5

P n m a

-P 2ac 2n

62

trans-bisaquabis(1,1,1,5,5,5-hexafluoroacetylacetonato)manganese(II) monohydrate

- C10 H8 F12 Mn O7 -

- C40 H32 F48 Mn4 O28 -

4

0.5

BS1010

Dickman, M. H.

trans-Diaquabis(hexafluoroacetylacetonato-O,O')manganese(II) Monohydrate

Acta Crystallographica Section C

1,997

53

4

402

404

10.1107/S010827019601459X

0.71073

MoKα

0.0707

0.0455

null

0.1165

0.104

null

1.075

1.141

null

has coordinates,has disorder

Dickman, M. H. trans-Diaquabis(hexafluoroacetylacetonato-O,O')manganese(II) Monohydrate Acta Crystallographica Section C 53(4) (1997) 402-404

301,791

2025-08-18

23:15:28

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2,006,045

12.815

0.009

14.798

0.012

15.584

0.014

82.648

0.01

77.869

0.01

67.661

0.01

2,669

4

293

2

293

2

null

5

P -1

-P 1

2

5,11,17,23-Tetra-tert-butyl-25,27-bis((diethylthiocarbamoyl)- methoxy)-26,28-dihydroxycalix[4]arene

- C56 H78 N2 O4 S2 -

- C56 H76 N2 O4 S2 -

- C112 H152 N4 O8 S4 -

2

1

CF1144

Drew, M. G. B.; Beer, P. D.; Ogden, M. I.

A Calix[4]arene with Diethylthiocarbamoylmethyloxy Substituents in the 1,3 Positions

Acta Crystallographica Section C

1,997

53

4

472

474

10.1107/S0108270196015521

0.71073

MoKα

0.1193

0.0831

null

0.2928

0.244

null

0.615

0.602

null

has coordinates,has disorder

Drew, M. G. B.; Beer, P. D.; Ogden, M. I. A Calix[4]arene with Diethylthiocarbamoylmethyloxy Substituents in the 1,3 Positions Acta Crystallographica Section C 53(4) (1997) 472-474

201,201

2020-10-21

18:00:00

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2,006,046

10.613

0.002

15.402

0.003

12.928

0.004

90

null

93.35

0.03

90

null

2,109.6

0.9

293

2

293

2

null

5

C 1 2/c 1

-C 2yc

15

- C18 H26 Cu N4 O8 -

- C72 H104 Cu4 N16 O32 -

4

0.5

DE1043

Suresh, E.; Bhadbhade, M. M.

Metal‒α,ω-Dicarboxylate Complexes. II. catena-Poly[bis(imidazole-N^3^)copper(II)-di-μ-adipato(1 ‒)-O^1^:O^6^;O^6^:O^1^]

Acta Crystallographica Section C

1,997

53

4

422

425

10.1107/S0108270196014138

0.7107

MoKα

0.0354

0.0291

null

0.0768

0.0747

null

1.081

1.136

null

has coordinates

Suresh, E.; Bhadbhade, M. M. Metal‒α,ω-Dicarboxylate Complexes. II. catena-Poly[bis(imidazole-N^3^)copper(II)-di-μ-adipato(1 ‒)-O^1^:O^6^;O^6^:O^1^] Acta Crystallographica Section C 53(4) (1997) 422-425

176,435

2020-10-21

18:00:00

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4,322,102

10.896

0.002

12.566

0.004

17.688

0.003

81.23

0.02

89.5

0.01

84.72

0.03

2,383.3

1

293

2

293

2

null

5

P -1

-P 1

2

- C41 H56 N11 Nd O14 -

- C82 H112 N22 Nd2 O28 -

2

1

C. Platas; F. Avecilla; A. de Blas; C. F. G. C. Geraldes; T. Rodríguez-Blas; H. Adams; J. Mahía

1H NMR in Solution and Solid State Structural Study of Lanthanide(III) Cryptates

Inorganic Chemistry

1,999

38

3190

3199

10.1021/ic981314e

0.71073

MoKα

0.0578

0.0519

null

0.148

0.1532

null

1.12

null

has coordinates

C. Platas; F. Avecilla; A. de Blas; C. F. G. C. Geraldes; T. Rodríguez-Blas; H. Adams; J. Mahía 1H NMR in Solution and Solid State Structural Study of Lanthanide(III) Cryptates Inorganic Chemistry 38 (1999) 3190-3199

179,324

2020-10-21

18:00:00

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2,006,047

13.613

0.001

21.448

0.003

9.1157

0.0008

90

null

103.561

0.007

90

null

2,587.3

0.5

293

null

293

null

4

P 1 21/n 1

-P 2yn

14

2-[2,4-(3H,10H)-dioxo-10-(4-tert-butylphenyl)pyrimido[4,5-b]quinolin-3-yl]- benzoic acid

- C29 H27 N3 O5 -

- C116 H108 N12 O20 -

4

1

DE1045

Kawai, Y.; Kunitomo, J.; Ohno, A.

A Novel Function of an Atropisomeric Flavin Model as a Host Compound

Acta Crystallographica Section C

1,997

53

4

513

515

10.1107/S0108270197000255

1.5418

CuKα

0.0516

0.0414

null

0.0817

0.0682

null

1.389

1.786

null

has coordinates

Kawai, Y.; Kunitomo, J.; Ohno, A. A Novel Function of an Atropisomeric Flavin Model as a Host Compound Acta Crystallographica Section C 53(4) (1997) 513-515

301,791

2025-08-18

23:15:28

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2,006,048

10.825

0.003

10.825

0.003

10.184

0.006

90

null

90

null

90

null

1,193.4

0.8

293

2

293

2

null

4

P 4/n c c :2

-P 4a 2ac

130

Cerium Sodium Diarsenate

- As4 Ce Na4 O14 -

- As16 Ce4 Na16 O56 -

4

0.25

DU1161

Belam, W.; Boughzala, H.; Jouini, T.

Na~4~Ce(As~2~O~7~)~2~

Acta Crystallographica Section C

1,997

53

4

397

399

10.1107/S0108270196007226

0.71069

MoKα

0.0398

0.0262

null

0.0579

0.0548

null

1.277

1.362

null

has coordinates

Belam, W.; Boughzala, H.; Jouini, T. Na~4~Ce(As~2~O~7~)~2~ Acta Crystallographica Section C 53(4) (1997) 397-399

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/2/00/60/2006048.cif $ #-------------------------------------------------------------------...

2,006,049

8.61

0.003

16.01

0.005

12.878

0.003

90

null

104.45

0.01

90

null

1,719

0.9

293

2

293

2

null

5

C 1 2/c 1

-C 2yc

15

Bis(propan-1,3-diammonium) diphosphate tetrahydrate

- C6 H32 N4 O11 P2 -

- C24 H128 N16 O44 P8 -

4

0.5

DU1165

Charfi, M.; Jouini, A.

Bis(propane-1,3-diammonium) Diphosphate Tetrahydrate

Acta Crystallographica Section C

1,997

53

4

463

465

10.1107/S0108270196012127

1.5418

CuKα

0.0424

null

0.1113

null

1.189

null

has coordinates

Charfi, M.; Jouini, A. Bis(propane-1,3-diammonium) Diphosphate Tetrahydrate Acta Crystallographica Section C 53(4) (1997) 463-465

301,791

2025-08-18

23:15:28

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2,006,050

8.058

0.001

14.546

0.003

12.247

0.002

90

null

95.57

0.01

90

null

1,428.7

0.4

293

null

293

null

5

P 1 21/a 1

-P 2yab

14

(3-(η^5^-cyclopentadienylamido)propionic acid)(tricarbonyl)rhenium

- C12 H10 N O6 Re -

- C48 H40 N4 O24 Re4 -

4

1

DU1167

Bennouna, A.; Mousser, A.; Gorfti, A.; Salmain, M.; Cabestaing, C.; Jaouen, G.

Tricarbonyl[3-(η^5^-cyclopentadienylcarbonylamino)propionic acid]rhenium

Acta Crystallographica Section C

1,997

53

4

447

449

10.1107/S0108270196014643

0.71073

MoKα

null

0.03

null

0.033

null

0.972

null

has coordinates

Bennouna, A.; Mousser, A.; Gorfti, A.; Salmain, M.; Cabestaing, C.; Jaouen, G. Tricarbonyl[3-(η^5^-cyclopentadienylcarbonylamino)propionic acid]rhenium Acta Crystallographica Section C 53(4) (1997) 447-449

176,759

2020-10-21

18:00:00

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2,006,051

10.154

0.002

8.968

0.002

6.749

0.002

90

null

104

0.2

90

null

596.3

0.6

293

2

293

2

null

4

P 1 21 1

P 2yb

4

pGlu-Pro-NH~2~

(author's name) cis-3-(2-pyrrolidone-5(S)-carbonyl)-L-prolinamide

- C10 H17 N3 O4 -

- C20 H34 N6 O8 -

2

1

DU1169

Wouters, J.; Norberg, B.; Evrard, G.

The Dipeptide pGlu–Pro-NH~2~

Acta Crystallographica Section C

1,997

53

4

477

480

10.1107/S0108270196014655

1.54178

CuKα

0.0266

0.0256

null

0.0764

0.0749

null

1.084

1.086

null

has coordinates

Wouters, J.; Norberg, B.; Evrard, G. The Dipeptide pGlu–Pro-NH~2~ Acta Crystallographica Section C 53(4) (1997) 477-480

301,791

2025-08-18

23:15:28

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2,006,052

13.576

0.004

17.947

0.003

12.262

0.003

105.11

0.02

114.19

0.02

83.55

0.02

2,631

1.2

293

2

293

2

null

7

P -1

-P 1

2

[(μ-Acetato)(μ-oxo)(bis(tris-(2-pyridylmethyl)amine)diiron(III)](triflate) dihydrate

- C41 H43 F9 Fe2 N8 O14 S3 -

- C40 H39 F6 Fe2 N8 O9 S2 -

- C80 H78 F12 Fe4 N16 O18 S4 -

2

1

FG1185

Norman, R. E.; Peterson, N. L.; Chang, S.-C.

μ-Acetato-O:O'-μ-oxo-bis{[tris(2-pyridylmethyl)amine-N,N',N'',N''']iron(III)} Tris(trifluoromethanesulfonate) Dihydrate

Acta Crystallographica Section C

1,997

53

4

452

453

10.1107/S0108270196015016

0.71069

MoKα

0.1098

0.0545

null

0.1653

0.1445

null

1.048

1.22

null

has coordinates

Norman, R. E.; Peterson, N. L.; Chang, S.-C. μ-Acetato-O:O'-μ-oxo-bis{[tris(2-pyridylmethyl)amine-N,N',N'',N''']iron(III)} Tris(trifluoromethanesulfonate) Dihydrate Acta Crystallographica Section C 53(4) (1997) 452-453

176,759

2020-10-21

18:00:00

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2,006,053

8.814

0.002

9.742

0.002

16.516

0.003

90

null

99.65

0.03

90

null

1,398.1

0.5

298

null

298

null

6

P 1 21/c 1

-P 2ybc

14

tran-Bis(4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole-N^1^, N')copper(II) tetrafluoroborate

- C24 H20 B2 Cu F8 N12 -

- C48 H40 B4 Cu2 F16 N24 -

2

0.5

FG1212

Jircitano, A. J.; Sommerer, S. O.; Abboud, K. A.

trans-Bis[4-amino-3,5-bis(2-pyridyl)-1,2,4-triazole-N^1^,N']copper(II) Bis(tetrafluoroborate)

Acta Crystallographica Section C

1,997

53

4

434

436

10.1107/S0108270196015028

0.71073

MoKα

0.0895

0.0578

null

0.169

0.1467

null

1.043

1.14

null

has coordinates

Jircitano, A. J.; Sommerer, S. O.; Abboud, K. A. trans-Bis[4-amino-3,5-bis(2-pyridyl)-1,2,4-triazole-N^1^,N']copper(II) Bis(tetrafluoroborate) Acta Crystallographica Section C 53(4) (1997) 434-436

301,791

2025-08-18

23:15:28

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2,006,054

9.988

0.002

15.154

0.005

23.193

0.007

90

null

90.31

0.02

90

null

3,510.4

1.7

223

2

223

2

null

6

P 1 21/n 1

-P 2yn

14

Mer,trans-(acetonitrile)trichlorobis(triphenylphosphine)rhenium(III)

(OC-6-13)-(Acetonitrile)trichlorobis(triphenylphosphine)rhenium(III)

- C38 H33 Cl3 N P2 Re -

- C152 H132 Cl12 N4 P8 Re4 -

4

1

FG1219

Davis, M.; Bélanger-Gariépy, F.; Zargarian, D.; Beauchamp, A. L.

Reinvestigation of mer,trans-(Acetonitrile)trichlorobis(triphenylphosphine)rhenium(III)

Acta Crystallographica Section C

1,997

53

4

428

430

10.1107/S0108270196014680

1.5418

CuKα

0.0588

0.0367

null

0.0839

0.0791

null

0.865

0.982

null

has coordinates

Davis, M.; Bélanger-Gariépy, F.; Zargarian, D.; Beauchamp, A. L. Reinvestigation of mer,trans-(Acetonitrile)trichlorobis(triphenylphosphine)rhenium(III) Acta Crystallographica Section C 53(4) (1997) 428-430

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/2/00/60/2006054.cif $ #-------------------------------------------------------------------...

2,006,055

11.48

0.002

15.846

0.003

15.14

0.003

90

null

91.5

0.03

90

null

2,753.2

0.9

293

2

293

2

null

6

P 1 21/n 1

-P 2yn

14

(Me~4~N)[Hg(SCOPh)~3~]

Tetramethylammonium Tris(thiobenzoato)mercury(II)

- C25 H27 Hg N O3 S3 -

- C100 H108 Hg4 N4 O12 S12 -

4

1

FG1233

Vittal, J. J.; Dean, P. A. W.

Tetramethylammonium Tris(thiobenzoato-O,S)mercury(II)

Acta Crystallographica Section C

1,997

53

4

409

410

10.1107/S0108270196014692

0.71073

MoKα

0.0922

0.0485

null

0.1222

0.1037

null

1.037

1.124

null

has coordinates,has disorder

Vittal, J. J.; Dean, P. A. W. Tetramethylammonium Tris(thiobenzoato-O,S)mercury(II) Acta Crystallographica Section C 53(4) (1997) 409-410

176,759

2020-10-21

18:00:00

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2,006,056

10.4082

0.0017

19.453

0.004

7.3882

0.0019

90

null

90

null

90

null

1,495.9

0.5

296

null

296

null

5

P 21 21 21

P 2ac 2ab

19

(SR,1R,2S)-1-(t-Butylsulfinyl)-2-(hydroxymethyl)ferrocene

- C15 H20 Fe O2 S -

- C60 H80 Fe4 O8 S4 -

4

1

FG1237

Robinson, P. D.; Hua, D. H.; Lagneau, N. M.; Robben, P. M.; Meyers, C. Y.

(SR,1R,2S)-1-(tert-Butylsulfinyl)2-(hydroxymethyl)ferrocene

Acta Crystallographica Section C

1,997

53

4

445

447

10.1107/S0108270196014916

0.71069

MoKα

null

0.039

null

0.036

null

1.17

null

has coordinates

Robinson, P. D.; Hua, D. H.; Lagneau, N. M.; Robben, P. M.; Meyers, C. Y. (SR,1R,2S)-1-(tert-Butylsulfinyl)2-(hydroxymethyl)ferrocene Acta Crystallographica Section C 53(4) (1997) 445-447

191,858

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-02-07 10:03:47 +0200 (Tue, 07 Feb 2017) $ #$Revision: 191858 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/60/2006056.cif $ #-------------------------------------------------------------------...

4,322,101

10.853

0.003

12.746

0.003

17.907

0.005

98.09

0.02

89.99

0.02

96.34

0.02

2,437.2

1.1

293

2

293

2

null

5

P -1

-P 1

2

- C40 H54 Ce N11 O14 -

- C40 H51 Ce N11 O14 -

- C80 H102 Ce2 N22 O28 -

2

1

C. Platas; F. Avecilla; A. de Blas; C. F. G. C. Geraldes; T. Rodríguez-Blas; H. Adams; J. Mahía

1H NMR in Solution and Solid State Structural Study of Lanthanide(III) Cryptates

Inorganic Chemistry

1,999

38

3190

3199

10.1021/ic981314e

0.71073

MoKα

0.0645

0.0521

null

0.1429

0.1511

null

1.082

null

has coordinates,has disorder

C. Platas; F. Avecilla; A. de Blas; C. F. G. C. Geraldes; T. Rodríguez-Blas; H. Adams; J. Mahía 1H NMR in Solution and Solid State Structural Study of Lanthanide(III) Cryptates Inorganic Chemistry 38 (1999) 3190-3199

179,324

2020-10-21

18:00:00

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2,006,057

6.906

0.004

12.009

0.007

14.643

0.008

90

null

95.88

0.04

90

null

1,208

1.2

293

2

293

2

null

4

P 1 21/n 1

-P 2yn

14

1,4-phenylenebis(diphenylphosphine oxide)

- C30 H24 O2 P2 -

- C60 H48 O4 P4 -

2

0.5

FG1247

Alexander, N. C.; Robinson, B. H.; Simpson, J.

1,4-Phenylenebis(diphenylphosphine oxide)

Acta Crystallographica Section C

1,997

53

4

465

467

10.1107/S0108270196014709

0.71073

MoKα

0.0947

0.0516

null

0.0451

0.0405

null

1.3996

null

has coordinates

Alexander, N. C.; Robinson, B. H.; Simpson, J. 1,4-Phenylenebis(diphenylphosphine oxide) Acta Crystallographica Section C 53(4) (1997) 465-467

301,791

2025-08-18

23:15:28

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2,006,058

9.324

0.003

17.688

0.004

17.81

0.006

90

null

95.77

0.03

90

null

2,922.4

1.5

193

2

193

2

null

5

P 1 21/n 1

-P 2yn

14

μ-1,4-Bis(diphenylphosphino)phenylene-P,P'-bis[μ~3~-benzylidene-octacarbonyl- triangulo-tricobalt(3 Co—Co)]

- C60 H34 Co6 O16 P2 -

- C120 H68 Co12 O32 P4 -

2

0.5

FG1249

Alexander, N. C.; Robinson, B. H.; Simpson, J.

μ-1,4-Bis(diphenylphosphino)phenylene-P:P'-bis[μ~3~-benzylidyne-octacarbonyl-triangulo-tricobalt(3 Co—Co)]

Acta Crystallographica Section C

1,997

53

4

425

428

10.1107/S010827019601503X

0.71073

MoKα

null

0.0487

null

0.0434

null

has coordinates

Alexander, N. C.; Robinson, B. H.; Simpson, J. μ-1,4-Bis(diphenylphosphino)phenylene-P:P'-bis[μ~3~-benzylidyne-octacarbonyl-triangulo-tricobalt(3 Co—Co)] Acta Crystallographica Section C 53(4) (1997) 425-428

176,759

2020-10-21

18:00:00

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2,006,059

10.1662

0.0016

12.404

0.003

9.0923

0.0014

100.677

0.015

102.334

0.012

111.728

0.014

995.4

0.4

296

null

296

null

4

P -1

-P 1

2

2-Phenyl-4-(9'-fluorenoxy)-1(2H)-phthalazinone

- C27 H18 N2 O2 -

- C54 H36 N4 O4 -

2

1

FG1251

Bausch, M. J.; Robinson, P. D.; Gong, Y.

4-(9-Fluorenoxy)-2-phenylphthalazin-1(2H)-one

Acta Crystallographica Section C

1,997

53

4

517

519

10.1107/S0108270196015156

0.71069

MoKα

0.0898

0.035

null

0.1097

0.0863

null

1.022

1.091

null

has coordinates

Bausch, M. J.; Robinson, P. D.; Gong, Y. 4-(9-Fluorenoxy)-2-phenylphthalazin-1(2H)-one Acta Crystallographica Section C 53(4) (1997) 517-519

301,791

2025-08-18

23:15:28

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2,006,060

19.67

0.006

15.904

0.003

9.485

0.006

90

null

90

null

90

null

2,967

2

295

1

295

1

null

3

P b c a

-P 2ac 2ab

61

- C17 H19 N3 -

- C136 H152 N24 -

8

1

FG1252

Parvez, M.

Antazoline

Acta Crystallographica Section C

1,997

53

4

506

508

10.1107/S0108270196015934

0.71069

MoKα

0.198

0.0493

null

0.2972

0.1289

null

1.012

1.136

null

has coordinates

Parvez, M. Antazoline Acta Crystallographica Section C 53(4) (1997) 506-508

301,791

2025-08-18

23:15:28

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2,006,061

7.3045

0.0002

9.8633

0.0003

10.7436

0.0004

90

null

98.608

0.001

90

null

765.32

0.04

173

null

173

null

4

P 1 21/n 1

-P 2yn

14

3-Nitroacetophenone

- C8 H7 N O3 -

- C32 H28 N4 O12 -

4

1

HA1182

Bolte, M.; Scholtyssik, M.

meta-Nitroacetophenone at 173K

Acta Crystallographica Section C

1,997

53

4

474

476

10.1107/S0108270196015545

0.71073

MoKα

0.0406

0.0354

null

0.1027

0.0998

null

1.044

1.095

null

has coordinates

Bolte, M.; Scholtyssik, M. meta-Nitroacetophenone at 173K Acta Crystallographica Section C 53(4) (1997) 474-476

301,791

2025-08-18

23:15:28

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2,006,062

13.853

0.001

10.988

0.002

16.678

0.002

90

null

98.703

0.007

90

null

2,509.4

0.6

293

null

293

null

6

P 1 21/n 1

-P 2yn

14

Bis{S-(1-lithio-2,2-diphenylethenyl)-N-methyl-S-phenylsulfoximine- tetrahydrofuran} tetrahydrofuran solvate

- C54 H60 Li2 N2 O5 S2 -

- C108 H120 Li4 N4 O10 S4 -

2

0.5

JZ1153

Zehnder, M.; Müller, J. F. K.; Neuburger, M.

Bis{μ-[1-(N-Methylsulfonimidoyl)-2,2-diphenylethene]}-1κ^2^C^1^,N:2κO;1κO:2κ^2^C^1^,N-bis[(tetrahydrofuran-O)lithium] Tetrahydrofuran Solvate and 1-(N-Methylphenylsulfonimidoyl)-2,2-diphenylethene

Acta Crystallographica Section C

1,997

53

4

419

422

10.1107/S0108270196014412

1.5418

CuKα

null

0.0623

null

0.0702

null

0.97

null

has coordinates

Zehnder, M.; Müller, J. F. K.; Neuburger, M. Bis{μ-[1-(N-Methylsulfonimidoyl)-2,2-diphenylethene]}-1κ^2^C^1^,N:2κO;1κO:2κ^2^C^1^,N-bis[(tetrahydrofuran-O)lithium] Tetrahydrofuran Solvate and 1-(N-Methylphenylsulfonimidoyl)-2,2-diphenylethene Acta Crystallog...

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/2/00/60/2006062.cif $ #-------------------------------------------------------------------...

2,006,063

6.0861

0.0004

11.9803

0.0007

12.4121

0.0007

97.17

0.004

90.662

0.005

99.241

0.005

885.82

0.09

293

null

293

null

5

P -1

-P 1

2

2,2-Diphenylethenyl-N-methyl-S-phenylsulfoximine

- C21 H19 N O S -

- C42 H38 N2 O2 S2 -

2

1

JZ1153

Zehnder, M.; Müller, J. F. K.; Neuburger, M.

Bis{μ-[1-(N-Methylsulfonimidoyl)-2,2-diphenylethene]}-1κ^2^C^1^,N:2κO;1κO:2κ^2^C^1^,N-bis[(tetrahydrofuran-O)lithium] Tetrahydrofuran Solvate and 1-(N-Methylphenylsulfonimidoyl)-2,2-diphenylethene

Acta Crystallographica Section C

1,997

53

4

419

422

10.1107/S0108270196014412

1.5418

CuKα

null

0.0394

null

0.0473

null

1.03

null

has coordinates

Zehnder, M.; Müller, J. F. K.; Neuburger, M. Bis{μ-[1-(N-Methylsulfonimidoyl)-2,2-diphenylethene]}-1κ^2^C^1^,N:2κO;1κO:2κ^2^C^1^,N-bis[(tetrahydrofuran-O)lithium] Tetrahydrofuran Solvate and 1-(N-Methylphenylsulfonimidoyl)-2,2-diphenylethene Acta Crystallog...

301,791

2025-08-18

23:15:28

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2,006,064

17.582

0.012

9.451

0.008

24.558

0.017

90

null

98.88

0.08

90

null

4,032

5

150

0.2

150

0.2

null

7

I 1 2/a 1

-I 2ya

15

- C8 H24 F12 N4 Ni P2 S2 -

- C64 H192 F96 N32 Ni8 P16 S16 -

8

1

JZ1164

Blake, A. J.; Danks, J. P.; Parsons, S.; Schröder, M.

Bis[bis(2-aminoethyl-N)sulfide-S]nickel(II) Bis(hexafluorophosphate)

Acta Crystallographica Section C

1,997

53

4

411

413

10.1107/S0108270196013297

0.71073

MoKα

0.0907

0.0647

null

0.302

0.2062

null

1.044

0.856

null

has coordinates,has Fobs

Blake, A. J.; Danks, J. P.; Parsons, S.; Schröder, M. Bis[bis(2-aminoethyl-N)sulfide-S]nickel(II) Bis(hexafluorophosphate) Acta Crystallographica Section C 53(4) (1997) 411-413

176,759

2020-10-21

18:00:00

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2,006,065

9.0191

0.0009

10.715

0.002

15.374

0.002

90

null

94.382

0.01

90

null

1,481.4

0.4

293

2

293

1

null

4

P 1 21/n 1

-P 2yn

14

2-Diphenylphosphinoyl-1,3-dioxane ?

- C16 H17 O3 P -

- C64 H68 O12 P4 -

4

1

KA1181

Majzner, W. R.; Wieczorek, M. W.; Mikołajczyk, M.; Graczyk, P. P.

2-(Diphenylphosphinoyl)-1,3-dioxane

Acta Crystallographica Section C

1,997

53

4

467

469

10.1107/S0108270196005604

1.54178

CuKα

0.0859

0.0564

null

0.156

0.1362

null

1.067

1.135

null

has coordinates

Majzner, W. R.; Wieczorek, M. W.; Mikołajczyk, M.; Graczyk, P. P. 2-(Diphenylphosphinoyl)-1,3-dioxane Acta Crystallographica Section C 53(4) (1997) 467-469

301,791

2025-08-18

23:15:28

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2,006,066

9.363

0.001

9.363

0.001

11.015

0.002

90

null

90

null

120

null

836.3

0.2

293

2

293

2

null

4

P 32

145

N'-Ethoxiyarbonyl-1-Methylpyrrole-2-carbohydrazide.

- C9 H13 N3 O3 -

- C27 H39 N9 O9 -

3

1

KA1194

Liu-Gonzalez, M.; Sanz-Ruiz, F.; Gonzalez-Rosende, M. E.; Lozano-Lucía, O.; Zaballos-García, E.; Sepulveda-Arqués, J.

Ethyl N-Methyl-2-pyrrolylcarbonylhydrazinocarboxylate

Acta Crystallographica Section C

1,997

53

4

490

491

10.1107/S0108270196013583

0.71073

MoKα

null

0.036

null

0.046

null

1.734

null

has coordinates

Liu-Gonzalez, M.; Sanz-Ruiz, F.; Gonzalez-Rosende, M. E.; Lozano-Lucía, O.; Zaballos-García, E.; Sepulveda-Arqués, J. Ethyl N-Methyl-2-pyrrolylcarbonylhydrazinocarboxylate Acta Crystallographica Section C 53(4) (1997) 490-491

301,791

2025-08-18

23:15:28

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2,006,067

8.192

0.003

19.278

0.005

16.952

0.002

90

null

100.2

0.2

90

null

2,635

2

293

null

5

P 1 21/n 1

-P 2yn

14

- C12 H12 F3 N3 O3 -

- C96 H96 F24 N24 O24 -

8

2

KA1209

Yanes, C.; Torres, M.; López-Rodríguez, M.; Núñez, P.; Brito, I.

N-(5-Nitro-2-pyrrolidinylphenyl)trifluoroacetamide

Acta Crystallographica Section C

1,997

53

4

492

493

10.1107/S0108270196014679

1.54055

CuKα

null

0.0446

null

0.137

null

0.635

null

has coordinates

Yanes, C.; Torres, M.; López-Rodríguez, M.; Núñez, P.; Brito, I. N-(5-Nitro-2-pyrrolidinylphenyl)trifluoroacetamide Acta Crystallographica Section C 53(4) (1997) 492-493

301,791

2025-08-18

23:15:28

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2,006,068

11.72

0.01

9.57

0.01

10.69

0.01

100.42

0.1

110.81

0.1

103.55

0.1

1,043

2

288

null

288

null

6

P -1

-P 1

2

(2,2'-bipyridyl)-sesqui(trifluoroacetato-mercury(II))

- C16 H8 F9 Hg1.5 N2 O6 -

- C32 H16 F18 Hg3 N4 O12 -

2

1

LI1151

Halfpenny, J.; Small, R. W. H.

The Mercury(II) Trifluoroacetate‒Bipyridyl System

Acta Crystallographica Section C

1,997

53

4

438

443

10.1107/S0108270196012772

0.7107

MoKα

null

0.046

null

0.05

null

2.375

null

has coordinates

Halfpenny, J.; Small, R. W. H. The Mercury(II) Trifluoroacetate‒Bipyridyl System Acta Crystallographica Section C 53(4) (1997) 438-443

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/2/00/60/2006068.cif $ #-------------------------------------------------------------------...

2,006,069

12.78

0.01

16.06

0.02

10.58

0.01

86.46

0.09

90.18

0.09

80.29

0.08

2,136

4

288

null

288

null

6

P -1

-P 1

2

tris(2,2'-bipyridyl)-bis(trifluoroacetato_mercury(II))

- C38 H24 F12 Hg2 N6 O8 -

- C76 H48 F24 Hg4 N12 O16 -

2

1

LI1151

Halfpenny, J.; Small, R. W. H.

The Mercury(II) Trifluoroacetate‒Bipyridyl System

Acta Crystallographica Section C

1,997

53

4

438

443

10.1107/S0108270196012772

0.7107

MoKα

null

0.049

null

0.053

null

2.227

null

has coordinates

Halfpenny, J.; Small, R. W. H. The Mercury(II) Trifluoroacetate‒Bipyridyl System Acta Crystallographica Section C 53(4) (1997) 438-443

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/2/00/60/2006069.cif $ #-------------------------------------------------------------------...

4,322,100

6.3871

0.001

8.132

0.002

12.693

0.003

89.2

0.03

81.37

0.03

81.2

0.03

644.1

0.3

293

2

293

2

null

6

P -1

-P 1

2

Ru(bpy)(CO)2ClH

- C12 H9 Cl N2 O2 Ru -

- C24 H18 Cl2 N4 O4 Ru2 -

2

1

Matti Haukka; Pipsa Hirva; Saija Luukkanen; Mirja Kallinen; Markku Ahlgrén; Tapani A. Pakkanen

Reactions of Ruthenium Bipyridine Catalyst Precursors: Synthetic, Structural, and Theoretical Studies on Ruthenium Mono(bipyridine) Carbonyls in Ethylene Glycol Solutions

Inorganic Chemistry

1,999

38

3182

3189

10.1021/ic981266y

0.71073

MoKα

0.0355

0.0257

null

0.0556

0.0598

null

1.074

null

has coordinates

Matti Haukka; Pipsa Hirva; Saija Luukkanen; Mirja Kallinen; Markku Ahlgrén; Tapani A. Pakkanen Reactions of Ruthenium Bipyridine Catalyst Precursors: Synthetic, Structural, and Theoretical Studies on Ruthenium Mono(bipyridine) Carbonyls in Ethylene Glycol Solutions Inorganic Chemistry 38 (1999) 3182-3189

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/4/32/21/4322100.cif $ #-------------------------------------------------------------------...

2,006,070

16.54

0.02

11.06

0.01

7.59

0.01

98.6

1

87.7

0.9

67.2

0.7

1,258

9

288

null

288

null

6

P -1

-P 1

2

bis(2,2'-bipyridyl)-trifluoroacetato-mercury(II)

- C24 H16 F6 Hg N4 O4 -

- C48 H32 F12 Hg2 N8 O8 -

2

1

LI1151

Halfpenny, J.; Small, R. W. H.

The Mercury(II) Trifluoroacetate–Bipyridyl System

Acta Crystallographica Section C

1,997

53

4

438

443

10.1107/S0108270196012772

0.7107

MoKα

null

0.052

null

0.057

null

2.267

null

has coordinates

Halfpenny, J.; Small, R. W. H. The Mercury(II) Trifluoroacetate–Bipyridyl System Acta Crystallographica Section C 53(4) (1997) 438-443

301,791

2025-08-18

23:15:28

#------------------------------------------------------------------------------ #$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/2/00/60/2006070.cif $ #-------------------------------------------------------------------...

2,006,071

16.848

0.002

6.261

0.001

17.034

0.001

90

null

132.49

0.03

90

null

1,325

0.7

293

2

293

2

null

6

C 1 2/c 1

-C 2yc

15

Sodium trans-Bis(methyliminodiacetato)chromate(III)

- C10 H14 Cr N2 Na O8 -

- C40 H56 Cr4 N8 Na4 O32 -

4

0.5

MU1280

Suh, J.-S.; Park, S.-J.; Lee, K.-W.; Suh, I.-H.; Lee, J.-H.; Song, J.-H.; Oh, M.-R.

Sodium trans-Bis(methyliminodiacetato-O,N,O)chromate(III), Na[Cr(C~5~H~7~NO~4~)~2~]

Acta Crystallographica Section C

1,997

53

4

432

434

10.1107/S0108270196013327

0.71069

MoKα

0.0318

0.0284

null

0.0797

0.0741

null

0.168

0.166

null

has coordinates

Suh, J.-S.; Park, S.-J.; Lee, K.-W.; Suh, I.-H.; Lee, J.-H.; Song, J.-H.; Oh, M.-R. Sodium trans-Bis(methyliminodiacetato-O,N,O)chromate(III), Na[Cr(C~5~H~7~NO~4~)~2~] Acta Crystallographica Section C 53(4) (1997) 432-434

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/2/00/60/2006071.cif $ #-------------------------------------------------------------------...

2,006,072

10.268

0.001

13.845

0.002

11.742

0.002

90

null

101.73

0.01

90

null

1,634.4

0.4

293

2

293

2

null

5

P 1 21/c 1

-P 2ybc

14

toluenesulfonamide 2(-)-limonene

- C17 H23 N O2 S -

- C68 H92 N4 O8 S4 -

4

1

NA1220

(±)-N-[1,8(10)-menthadien-3-yl]toluenesulfonamide

Acta Crystallographica C

1,997

53

519

521

10.1107/S0108270196013777

1.54178

CuKα

0.055

0.0484

null

0.1401

0.133

null

1.059

1.076

null

has coordinates

(±)-N-[1,8(10)-menthadien-3-yl]toluenesulfonamide Acta Crystallographica C 53 (1997) 519-521

211,196

2020-10-21

18:00:00

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2,006,073

9.484

0.005

10.949

0.007

35.744

0.02

90

0

93.87

0.04

90

0

3,703

4

293

2

293

2

null

8

P 1 21/n 1

-P 2yn

14

- C34 H32 As Cl3 N3 O6 S Tc -

- C34 H31 As Cl9 N3 O6 S Tc -

- C136 H124 As4 Cl36 N12 O24 S4 Tc4 -

4

1

NA1260

Blaton, N. M.; Bormans, G.; Peeters, O. M.; Verbruggen, A.

Epimer B of Tetraphenylarsonium (Mercaptoacetylalanylglycylglycinato-N,N',N'',S)oxotechnetate(V) (^99^Tc) Chloroform Solvate

Acta Crystallographica Section C

1,997

53

4

449

451

10.1107/S0108270196014874

0.71073

MoKα

0.1437

0.0489

null

0.1935

0.1317

null

1.006

1.053

null

has coordinates

Blaton, N. M.; Bormans, G.; Peeters, O. M.; Verbruggen, A. Epimer B of Tetraphenylarsonium (Mercaptoacetylalanylglycylglycinato-N,N',N'',S)oxotechnetate(V) (^99^Tc) Chloroform Solvate Acta Crystallographica Section C 53(4) (1997) 449-451

211,412

2020-10-21

18:00:00

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2,006,074

10.152

0.003

9.407

0.003

19.448

0.008

90

null

90.12

0.03

90

null

1,857.3

1.1

293

2

298

2

null

5

P 1 21/a 1

-P 2yab

14

Tris(2-hydroxymethyl)methylammonium (2,6-dichlorophenyl)amino-phenylacetate (HTRIS.D)

- C18 H22 Cl2 N2 O5 -

- C72 H88 Cl8 N8 O20 -

4

1

NA1262

Castellari, C.; Ottani, S.

Anti-Inflammatory Drugs. V. [Tris-(2-hydroxymethyl)methyl]ammonium 2-[(2,6-Dichlorophenyl)amino]phenylacetate (TRISH. D)

Acta Crystallographica Section C

1,997

53

4

482

486

10.1107/S0108270196013649

0.71069

MoKα

0.1153

0.0403

null

0.0866

0.067

null

0.996

1.086

null

has coordinates

Castellari, C.; Ottani, S. Anti-Inflammatory Drugs. V. [Tris-(2-hydroxymethyl)methyl]ammonium 2-[(2,6-Dichlorophenyl)amino]phenylacetate (TRISH. D) Acta Crystallographica Section C 53(4) (1997) 482-486

301,791

2025-08-18

23:15:28

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2,006,075

8.8435

0.001

8.7911

0.001

7.7906

0.001

90

null

90

null

90

null

605.67

0.12

293

2

298

2

null

4

P n a 21

P 2c -2n

33

TRIS

Tris(2-hydroxymethyl)aminomethane

- C4 H11 N O3 -

- C16 H44 N4 O12 -

4

1

NA1262

Castellari, C.; Ottani, S.

Anti-Inflammatory Drugs. V. [Tris-(2-hydroxymethyl)methyl]ammonium 2-[(2,6-Dichlorophenyl)amino]phenylacetate (TRISH. D)

Acta Crystallographica Section C

1,997

53

4

482

486

10.1107/S0108270196013649

0.71069

MoKα

0.0352

0.032

null

0.0883

0.0837

null

1.042

1.045

null

has coordinates

Castellari, C.; Ottani, S. Anti-Inflammatory Drugs. V. [Tris-(2-hydroxymethyl)methyl]ammonium 2-[(2,6-Dichlorophenyl)amino]phenylacetate (TRISH. D) Acta Crystallographica Section C 53(4) (1997) 482-486

301,791

2025-08-18

23:15:28

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2,006,076

7.17

0.001

30.766

0.001

16.91

0.001

90

null

90

null

90

null

3,730.2

0.6

293

2

293

2

null

3

C m c a

-C 2ac 2

64

isotretinoin

13-cis-retinoic acid

- C20 H28 O2 -

- C20 H27.8 O2 -

- C160 H222.4 O16 -

8

null

NA1267

Malpezzi, L.; Fuganti, C.; Grasselli, P.

Disorder in 13-cis-Retinoic Acid

Acta Crystallographica Section C

1,997

53

4

508

511

10.1107/S0108270196014588

1.54178

CuKα

0.0555

0.0449

null

0.133

0.1216

null

1.043

1.072

null

has coordinates

Malpezzi, L.; Fuganti, C.; Grasselli, P. Disorder in 13-cis-Retinoic Acid Acta Crystallographica Section C 53(4) (1997) 508-511

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/2/00/60/2006076.cif $ #-------------------------------------------------------------------...

2,006,077

8.766

0.002

10.759

0.002

13.158

0.002

105.084

0.011

104.568

0.012

97.278

0.01

1,134.9

0.4

298

null

298

null

5

P -1

-P 1

2

4-(1,7,8,9,10,10-Hexachloro-3,5-dioxo-4-aza-tricyclo-[5.2.1.0^2,6^]dec-8- en-4-yl-butyracid

- C20 H17 Cl6 N O4 -

- C40 H34 Cl12 N2 O8 -

2

1

NA1268

Bartkowska, B.; Bohnen, F. M.; Krüger, C.; Maier, W. F.

4-(1,7,8,9,10,10-Hexachloro-3,5-dioxo-4-azatricyclo[5.2.1.0^2,6^]dec-8-en-4-yl)butyric Acid Toluene Solvate

Acta Crystallographica Section C

1,997

53

4

521

522

10.1107/S0108270196015569

0.71069

MoKα

0.0359

0.0337

null

0.1104

0.109

null

1.134

1.159

null

has coordinates

Bartkowska, B.; Bohnen, F. M.; Krüger, C.; Maier, W. F. 4-(1,7,8,9,10,10-Hexachloro-3,5-dioxo-4-azatricyclo[5.2.1.0^2,6^]dec-8-en-4-yl)butyric Acid Toluene Solvate Acta Crystallographica Section C 53(4) (1997) 521-522

301,791

2025-08-18

23:15:28

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2,006,078

3.9851

0.0005

16.547

0.003

11.841

0.002

90

null

93.2

0.01

90

null

779.6

0.2

293

2

293

2

null

4

P 1 21/n 1

-P 2yn

14

2,4-dibromo-5-hydroxybenzaldehyde

- C7 H4 Br2 O2 -

- C28 H16 Br8 O8 -

4

1

NA1276

Matos Beja, A.; Paixão, J. A.; Ramos Silva, M.; Alte da Veiga, L.; d Rocha Gonsalves, A. M.; Pereira, M. M.; Serra, A. C.

2,4-Dibromo-5-hydroxybenzaldehyde

Acta Crystallographica Section C

1,997

53

4

494

496

10.1107/S0108270196015296

0.71073

MoKα

0.1112

0.0279

null

0.0681

0.0507

null

1.013

1.018

null

has coordinates,has Fobs

Matos Beja, A.; Paixão, J. A.; Ramos Silva, M.; Alte da Veiga, L.; d Rocha Gonsalves, A. M.; Pereira, M. M.; Serra, A. C. 2,4-Dibromo-5-hydroxybenzaldehyde Acta Crystallographica Section C 53(4) (1997) 494-496

301,791

2025-08-18

23:15:28

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2,006,079

12.268

0.002

7.52

0.002

12.338

0.002

90

null

91.86

0.01

90

null

1,137.6

0.4

295

1

296

1

null

4

P 1 21/a 1

-P 2yab

14

- C10 H11 Br2 N -

- C40 H44 Br8 N4 -

4

1

OA1016

Banwell, M. G.; Hockless, D. C. R.; Wu, A. W.

(E)-3-(2,2-Dibromospiro[2.4]heptan-1-yl)propenenitrile

Acta Crystallographica Section C

1,997

53

4

504

506

10.1107/S0108270196014886

1.5418

CuKα

0.1363

0.0774

null

0.0605

0.0563

null

1.743

2.107

null

has coordinates

Banwell, M. G.; Hockless, D. C. R.; Wu, A. W. (E)-3-(2,2-Dibromospiro[2.4]heptan-1-yl)propenenitrile Acta Crystallographica Section C 53(4) (1997) 504-506

301,791

2025-08-18

23:15:28

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2,006,080

11.232

0.004

9.175

0.003

10.444

0.004

90

0

107.09

0.03

90

0

1,028.8

0.7

298

null

4

C 1 2/c 1

-C 2yc

15

- C12 H12 N2 O2 -

- C48 H48 N8 O8 -

4

0.5

OH1103

Kanno, H.; Iijima, K.

4,4'-Dimethyl-2,2'-bipyridine 1,1'-Dioxide

Acta Crystallographica Section C

1,997

53

4

498

499

10.1107/S010827019601548X

0.71073

MoKα

null

0.0572

null

0.0585

null

1.59

null

has coordinates

Kanno, H.; Iijima, K. 4,4'-Dimethyl-2,2'-bipyridine 1,1'-Dioxide Acta Crystallographica Section C 53(4) (1997) 498-499

301,791

2025-08-18

23:15:28

#------------------------------------------------------------------------------ #$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/2/00/60/2006080.cif $ #-------------------------------------------------------------------...

2,006,081

8.468

0.002

9.778

0.003

15.193

0.001

90

null

90

null

90

null

1,258

0.5

293

null

293

null

5

P 21 21 21

P 2ac 2ab

19

[N-hydroxy-2-méthylpyrrolidin-2-yl] phosphonate de diéthyle

- C9 H20 N O4 P -

- C36 H80 N4 O16 P4 -

4

1

PA1234

Barbati, S.; Siri, D.; Tordo, P.; Reboul, J.-P.

(N-Hydroxy-2-méthylpyrrolidin-2-yl)phosphonate de Diéthyle

Acta Crystallographica Section C

1,997

53

4

461

463

10.1107/S0108270196014448

0.71069

MoKα

0.033

null

0.032

null

0.21

null

has coordinates,has Fobs

Barbati, S.; Siri, D.; Tordo, P.; Reboul, J.-P. (N-Hydroxy-2-méthylpyrrolidin-2-yl)phosphonate de Diéthyle Acta Crystallographica Section C 53(4) (1997) 461-463

301,791

2025-08-18

23:15:28

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4,322,099

27.889

0.003

10.27

0.002

26.563

0.002

90

null

112.01

0.03

90

null

7,054

2

293

2

293

2

null

6

C 1 2/c 1

-C 2yc

15

Ru(bpy)(CO)2Cl(C(O)OCH2CH2OH).1/4(HOCH2CH2OH)

- C15.5 H14.5 Cl N2 O5.5 Ru -

- C15.5 H13 Cl N2 O5.495 Ru -

- C248 H208 Cl16 N32 O87.92 Ru16 -

16

2

Matti Haukka; Pipsa Hirva; Saija Luukkanen; Mirja Kallinen; Markku Ahlgrén; Tapani A. Pakkanen

Reactions of Ruthenium Bipyridine Catalyst Precursors: Synthetic, Structural, and Theoretical Studies on Ruthenium Mono(bipyridine) Carbonyls in Ethylene Glycol Solutions

Inorganic Chemistry

1,999

38

3182

3189

10.1021/ic981266y

0.71073

MoKα

0.056

0.0275

null

0.0464

0.0489

null

0.773

null

has coordinates

Matti Haukka; Pipsa Hirva; Saija Luukkanen; Mirja Kallinen; Markku Ahlgrén; Tapani A. Pakkanen Reactions of Ruthenium Bipyridine Catalyst Precursors: Synthetic, Structural, and Theoretical Studies on Ruthenium Mono(bipyridine) Carbonyls in Ethylene Glycol Solutions Inorganic Chemistry 38 (1999) 3182-3189

176,467

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $ #$Revision: 176467 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/20/4322099.cif $ #-------------------------------------------------------------------...

2,006,082

6.6446

0.0005

9.4721

0.0008

35.046

0.002

90

null

90

null

90

null

2,205.7

0.3

293

null

293

null

5

P 21 21 21

P 2ac 2ab

19

(thian-5-one-1,1-dioxide)-3-spiro-3'-(5'-O-tert-butyldimethylsilyl-3'- deoxy-1',2'-O-isopropylidene-alpha-D-xylo-pentofuranose)

- C18 H32 O7 S Si -

- C72 H128 O28 S4 Si4 -

4

1

PA1244

Bernardinelli, G.; Tronchet, J. M. J.; Kovacs, I.

Absolute Structure of (Thian-5-one 1,1-dioxide)-3-spiro-3'-(5'-O-tert-butyldimethylsilyl-3'-deoxy-1',2'-O-isopropylidene-α-D-xylo-pentofuranose), a Novel Type of Spirosugar

Acta Crystallographica Section C

1,997

53

4

511

513

10.1107/S010827019601445X

1.54184

CuKα

0.068

0.059

null

0.048

0.041

null

3.432

3.101

null

has coordinates

Bernardinelli, G.; Tronchet, J. M. J.; Kovacs, I. Absolute Structure of (Thian-5-one 1,1-dioxide)-3-spiro-3'-(5'-O-tert-butyldimethylsilyl-3'-deoxy-1',2'-O-isopropylidene-α-D-xylo-pentofuranose), a Novel Type of Spirosugar Acta Crystallographica Section C 53(4) (1997) 511-513

301,791

2025-08-18

23:15:28

#------------------------------------------------------------------------------ #$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/2/00/60/2006082.cif $ #-------------------------------------------------------------------...

2,006,083

32.156

0.013

7.114

0.002

12.118

0.006

90

null

101.47

0.06

90

null

2,717

2

293

null

293

null

4

C 1 2 1

C 2y

5

(3R),(2'S)-2'-N-Dibenzylamino-1,2:5,6-diisopropylidène-α-D-allofuranos-3- spiro-β-propiolactone

- C28 H33 N O7 -

- C112 H132 N4 O28 -

4

1

PA1245

Chiaroni, A.; Riche, C.; Bouifraden, S.; Lavergne, J.-P.; Viallefont, P.

(3R,2'S)-2'-N-Dibenzylamino-1,2:5,6-di-O-isopropylidène-α-D-allofuranose-3-spiro-3'-β-propiolactone

Acta Crystallographica Section C

1,997

53

4

457

459

10.1107/S0108270196014461

1.5418

CuKα

null

0.054

null

0.072

null

1.09

null

has coordinates

Chiaroni, A.; Riche, C.; Bouifraden, S.; Lavergne, J.-P.; Viallefont, P. (3R,2'S)-2'-N-Dibenzylamino-1,2:5,6-di-O-isopropylidène-α-D-allofuranose-3-spiro-3'-β-propiolactone Acta Crystallographica Section C 53(4) (1997) 457-459

301,791

2025-08-18

23:15:28

#------------------------------------------------------------------------------ #$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/2/00/60/2006083.cif $ #-------------------------------------------------------------------...

2,006,084

7.473

0.002

13.971

0.006

21.769

0.011

90

null

90

null

90

null

2,272.8

1.6

293

null

293

null

4

P 21 21 21

P 2ac 2ab

19

méthyl (2R,5S)-1-N-benzyl-5-méthoxycarbonylprolyl-(2S)-phénylalaninate

- C24 H28 N2 O5 -

- C96 H112 N8 O20 -

4

1

PA1246

Chiaroni, A.; Riche, C.; Zair, T.; Guenoun, F.; Lazaro, R.; Viallefont, P.

Méthyl N-[(2R,5S)-1-N-Benzyl-5-méthoxycarbonylprolyl]-(S)-phénylalaninate

Acta Crystallographica Section C

1,997

53

4

459

461

10.1107/S0108270196014606

1.5418

CuKα

null

0.075

null

0.107

null

1.09

null

has coordinates

Chiaroni, A.; Riche, C.; Zair, T.; Guenoun, F.; Lazaro, R.; Viallefont, P. Méthyl N-[(2R,5S)-1-N-Benzyl-5-méthoxycarbonylprolyl]-(S)-phénylalaninate Acta Crystallographica Section C 53(4) (1997) 459-461

301,791

2025-08-18

23:15:28

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2,006,085

5.131

0.005

13.261

0.008

12.718

0.005

90

null

94.95

0.08

90

null

862.1

1

150

2

150

2

null

4

P 1 21/c 1

-P 2ybc

14

2,2'-[(1,2-ethanediyl)bis(nitrilopropylidyne)]bisphenol

- C20 H24 N2 O2 -

- C40 H48 N4 O4 -

2

0.5

PA1247

Corden, J. P.; Errington, W.; Moore, P.; Wallbridge, M. G. H.

Two Schiff Base Ligands Derived from 1,2-Diaminoethane

Acta Crystallographica Section C

1,997

53

4

486

488

10.1107/S0108270196014473

0.71073

MoKα

0.0952

0.0423

null

0.0927

0.0809

null

0.723

1.002

null

has coordinates

Corden, J. P.; Errington, W.; Moore, P.; Wallbridge, M. G. H. Two Schiff Base Ligands Derived from 1,2-Diaminoethane Acta Crystallographica Section C 53(4) (1997) 486-488

301,791

2025-08-18

23:15:28

#------------------------------------------------------------------------------ #$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/2/00/60/2006085.cif $ #-------------------------------------------------------------------...

2,006,086

18.53

0.008

13.443

0.01

17.737

0.008

90

null

90

null

90

null

4,418

4

150

2

150

2

null

4

P n a 21

P 2c -2n

33

2,2'-[(1,2-ethanediyl)bis(nitrilobenzylidyne)]bisphenol

- C28 H24 N2 O2 -

- C224 H192 N16 O16 -

8

2

PA1247

Corden, J. P.; Errington, W.; Moore, P.; Wallbridge, M. G. H.

Two Schiff Base Ligands Derived from 1,2-Diaminoethane

Acta Crystallographica Section C

1,997

53

4

486

488

10.1107/S0108270196014473

0.71073

MoKα

0.1121

0.0394

null

0.0854

0.0674

null

0.546

0.796

null

has coordinates

Corden, J. P.; Errington, W.; Moore, P.; Wallbridge, M. G. H. Two Schiff Base Ligands Derived from 1,2-Diaminoethane Acta Crystallographica Section C 53(4) (1997) 486-488

301,791

2025-08-18

23:15:28

#------------------------------------------------------------------------------ #$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/2/00/60/2006086.cif $ #-------------------------------------------------------------------...

2,006,087

17.491

0.004

14.236

0.003

18.656

0.004

90

null

100.24

0.02

90

null

4,571.4

1.8

293

2

293

2

null

5

C 1 2/c 1

-C 2yc

15

μ-hydrido-μ-dicyclohexylphosphido-bis(dicyclohexylphosphine-tricarbonyl- rhenium)

- C42 H69 O6 P3 Re2 -

- C168 H276 O24 P12 Re8 -

4

0.5

SK1060

Flörke, U.; Haupt, H.-J.

μ-Hydrido-μ-dicyclohexylphosphido-bis[dicyclohexylphosphine(tricarbonyl)rhenium]

Acta Crystallographica Section C

1,997

53

4

404

406

10.1107/S0108270196014291

0.71073

MoKα

0.0784

0.0424

null

0.0635

0.0575

null

0.944

1.063

null

has coordinates

Flörke, U.; Haupt, H.-J. μ-Hydrido-μ-dicyclohexylphosphido-bis[dicyclohexylphosphine(tricarbonyl)rhenium] Acta Crystallographica Section C 53(4) (1997) 404-406

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/2/00/60/2006087.cif $ #-------------------------------------------------------------------...

2,006,088

19.818

0.004

6.676

0.002

20.035

0.004

90

null

109.044

0.011

90

null

2,505.7

1

294

null

294

null

4

C 1 2/c 1

-C 2yc

15

N-(2'-Dimethylaminoethyl)-2-hydroxy-5-nitrobenzylamine

- C11 H17 N3 O3 -

- C88 H136 N24 O24 -

8

1

AB1425

Hazell, Alan; Overgaard, Jacob; Lausen, Søren Konstmann; Hu, Hongjuan; Khoo, Lian Ee

2-[2-(Dimethylamino)ethylammoniomethyl]-4-nitrophenolate

Acta Crystallographica Section C

1,997

53

5

640

641

10.1107/S0108270196015491

0.71073

MoKα

null

0.065

null

0.069

null

1.28

null

has coordinates

Hazell, Alan; Overgaard, Jacob; Lausen, Søren Konstmann; Hu, Hongjuan; Khoo, Lian Ee 2-[2-(Dimethylamino)ethylammoniomethyl]-4-nitrophenolate Acta Crystallographica Section C 53(5) (1997) 640-641

301,791

2025-08-18

23:15:28

#------------------------------------------------------------------------------ #$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/2/00/60/2006088.cif $ #-------------------------------------------------------------------...