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

2,004,471

13.463

0.003

13.463

0.003

9.864

0.004

90

null

90

null

90

null

1,787.9

0.9

293

2

293

2

null

5

I 4/m

-I 4

87

Chloro-(5,10,15,20-Tetraphenylporphinato)manganese(III)

- C44 H28 Cl Mn N4 -

- C88 H56 Cl2 Mn2 N8 -

2

0.125

BK1136

Cheng, B.; Scheidt, W. R.

Chloro(5,10,15,20-tetraphenylporphyrinato)manganese(III) with 4/m Symmetry

Acta Crystallographica Section C

1,996

52

2

361

363

10.1107/S0108270195009371

0.71073

MoKα

0.0713

0.0546

null

0.1466

0.1293

null

1.101

1.084

null

has coordinates

Cheng, B.; Scheidt, W. R. Chloro(5,10,15,20-tetraphenylporphyrinato)manganese(III) with 4/m Symmetry Acta Crystallographica Section C 52(2) (1996) 361-363

176,759

2020-10-21

18:00:00

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2,004,472

13.59

0.002

5.003

0.002

17.627

0.002

90

null

108.26

0.01

90

null

1,138.1

0.5

173

null

5

P 1 21/n 1

-P 2yn

14

- C14 H10 F N O3 -

- C56 H40 F4 N4 O12 -

4

1

BK1161

Ojala, W. H.; Clemons, J. E.; Ojala, C. R.

2-(2-Fluorobenzoylamino)benzoic Acid

Acta Crystallographica Section C

1,996

52

2

484

485

10.1107/S0108270195010560

1.54178

CuKα

null

0.034

null

0.037

null

2.12

null

has coordinates

Ojala, W. H.; Clemons, J. E.; Ojala, C. R. 2-(2-Fluorobenzoylamino)benzoic Acid Acta Crystallographica Section C 52(2) (1996) 484-485

301,791

2025-08-18

23:15:26

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2,004,473

15.379

0.001

19.324

0.001

3.915

0.001

90

null

90

null

90

null

1,163.5

0.3

296

null

296

null

4

P 21 21 21

P 2ac 2ab

19

2-phenylquinoline-4-carboxylic acid

- C16 H11 N O2 -

- C64 H44 N4 O8 -

4

1

BK1182

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

2-Phenylquinoline-4-carboxylic Acid

Acta Crystallographica Section C

1,996

52

2

409

411

10.1107/S0108270195013217

0.71073

MoKα

null

0.034

null

0.04

null

1.42

null

has coordinates

Blackburn, A. C.; Dobson, A. J.; Gerkin, R. E. 2-Phenylquinoline-4-carboxylic Acid Acta Crystallographica Section C 52(2) (1996) 409-411

301,791

2025-08-18

23:15:26

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2,004,474

40.302

0.004

40.302

0.004

40.302

0.004

90

null

90

null

90

null

65,461

11

130

2

130

2

null

7

F d -3 :2

-F 2uv 2vw 3

203

none

[{μu~3~-gold(triphenylphosphine)}tris{μu-bis(diphenylphosphino)methane}- triplatinum] hexafluorphosphate/tetrafluroborate (0.75:0.25)

- C93 H81 Au B0.25 F5.5 P7.75 Pt3 -

- C93 H81 Au B0.25 F5.51 P7.75 Pt3 -

- C2976 H2592 Au32 B8 F176.32 P248 Pt96 -

32

0.333333

BM1016

Muir, K. W.; Manojlovic-Muir, L.; Fullard, J.

The PF~6~^{-^}/BF~4~^{-^} Mixed Salt of the Cluster Cation [Pt~3~(μ~3~-AuPPh~3~)(μ-dppm)~3~]^+^, dppm = Ph~2~PCH~2~PPh~2~

Acta Crystallographica Section C

1,996

52

2

295

297

10.1107/S0108270195007852

0.71073

MoKα

0

0.0499

null

0

0.1256

null

0

1.086

null

has coordinates

Muir, K. W.; Manojlovic-Muir, L.; Fullard, J. The PF~6~^{-^}/BF~4~^{-^} Mixed Salt of the Cluster Cation [Pt~3~(μ~3~-AuPPh~3~)(μ-dppm)~3~]^+^, dppm = Ph~2~PCH~2~PPh~2~ Acta Crystallographica Section C 52(2) (1996) 295-297

176,435

2020-10-21

18:00:00

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2,004,475

9.53

0.01

8.31

0.01

12.39

0.01

90

null

90

null

90

null

981.2

1.8

286

null

288

null

5

C m c 21

C 2c -2

36

trimethylammonium trichlorostannate(IV)

- C3 H10 Cl3 N Sn -

- C12 H40 Cl12 N4 Sn4 -

4

0.5

BM1018

Halfpenny, J.

Trimethylammonium Trichlorostannate(II)

Acta Crystallographica Section C

1,996

52

2

340

342

10.1107/S0108270195009668

0.71073

MoKα

null

0.031

null

0.031

null

0.906

null

has coordinates

Halfpenny, J. Trimethylammonium Trichlorostannate(II) Acta Crystallographica Section C 52(2) (1996) 340-342

198,514

2020-10-21

18:00:00

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2,004,476

10.55

0.02

12.26

0.02

9.76

0.02

113.1

0.1

99.1

0.2

99

0.2

1,113

4

295

1

295

1

null

4

P -1

-P 1

2

- C11 H11 N4 O2.5 -

- C44 H44 N16 O10 -

4

2

BM1021

Capparelli, M. V.; Charris, J. E.; Domínguez, J. N.

5-(p-Anisidino)-4-cyano-2,3-dihydro-3-pyrazolone Hemihydrate, C~11~H~10~N~4~O~2~.0.5H~2~O

Acta Crystallographica Section C

1,996

52

2

447

449

10.1107/S0108270195009206

0.71069

MoKα

null

0.0388

null

0.0389

null

1.574

null

has coordinates

Capparelli, M. V.; Charris, J. E.; Domínguez, J. N. 5-(p-Anisidino)-4-cyano-2,3-dihydro-3-pyrazolone Hemihydrate, C~11~H~10~N~4~O~2~.0.5H~2~O Acta Crystallographica Section C 52(2) (1996) 447-449

301,791

2025-08-18

23:15:26

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2,004,477

8.433

0.002

12.987

0.006

7.743

0.003

98.92

0.04

98.9

0.03

105.53

0.03

789.8

0.6

296

null

296

null

3

P -1

-P 1

2

C1TET-TTF

bis(methylthio)ethylenedithiotetrathiafulvalene

- C10 H10 S8 -

- C20 H20 S16 -

2

1

BM1022

Zhang, B.; Li, Y.-L.; Han, H.-X.; Yang, J.-K.; Zhu, D.-B.; Maruyama, Y.-S.

Bis(methylthio)ethylenedithiotetrathiafulvalene

Acta Crystallographica Section C

1,996

52

2

400

403

10.1107/S0108270195012832

0.71069

MolybdenumKα

null

0.06

null

0.081

null

2.06

null

has coordinates

Zhang, B.; Li, Y.-L.; Han, H.-X.; Yang, J.-K.; Zhu, D.-B.; Maruyama, Y.-S. Bis(methylthio)ethylenedithiotetrathiafulvalene Acta Crystallographica Section C 52(2) (1996) 400-403

301,791

2025-08-18

23:15:26

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2,004,478

15.273

0.005

9.931

0.007

19.1975

0.0015

90

null

97.933

0.012

90

null

2,884

2

150

2

150

2

null

5

C 1 2/c 1

-C 2yc

15

Tetraethylammonium Bis(isothiocyanato)triphenylstannate

- C28 H35 N3 S2 Sn -

- C112 H140 N12 S8 Sn4 -

4

0.5

BM1025

Cox, P. J.; Wardell, J. L.

Tetraethylammonium Bis(isothiocyanato)triphenylstannate

Acta Crystallographica Section C

1,996

52

2

317

319

10.1107/S0108270195009437

0.71069

MoKα

0.0521

0.0466

null

0.1109

0.1093

null

1.032

1.081

null

has coordinates

Cox, P. J.; Wardell, J. L. Tetraethylammonium Bis(isothiocyanato)triphenylstannate Acta Crystallographica Section C 52(2) (1996) 317-319

176,759

2020-10-21

18:00:00

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2,004,479

10.269

0.004

19.958

0.003

15.066

0.003

90

null

103.8

0.02

90

null

2,998.6

1.4

293

2

293

2

null

6

P 1 21/n 1

-P 2yn

14

N,N'-methylenedipyridinium cis-difluorotetrachloroosmate(IV)

- C22 H24 Cl8 F4 N4 Os2 -

- C11 H12 Cl4 F2 N2 Os -

- C88 H96 Cl32 F16 N16 Os8 -

8

2

BM1027

Bruhn, C.; Preetz, W.

Dipyridiniomethane cis- and trans-Difluorotetrachloroosmate(IV), cis- and trans-[(C~5~H~5~N)~2~CH~2~][OsCl~4~F~2~]

Acta Crystallographica Section C

1,996

52

2

321

325

10.1107/S0108270195010717

0.71069

MoKα

0.0467

0.029

null

0.0756

0.0642

null

1.182

1.14

null

has coordinates

Bruhn, C.; Preetz, W. Dipyridiniomethane cis- and trans-Difluorotetrachloroosmate(IV), cis- and trans-[(C~5~H~5~N)~2~CH~2~][OsCl~4~F~2~] Acta Crystallographica Section C 52(2) (1996) 321-325

176,759

2020-10-21

18:00:00

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2,004,480

7.7562

0.0005

10.0127

0.0008

11.0057

0.0009

89.649

0.007

70.346

0.006

75.112

0.006

774.86

0.11

293

2

293

2

null

6

P -1

-P 1

2

N,N'-methylenedipyridinium trans-difluorotetrachloroosmate(IV)

- C11 H12 Cl4 F2 N2 Os -

- C22 H24 Cl8 F4 N4 Os2 -

2

1

BM1027

Bruhn, C.; Preetz, W.

Dipyridiniomethane cis- and trans-Difluorotetrachloroosmate(IV), cis- and trans-[(C~5~H~5~N)~2~CH~2~][OsCl~4~F~2~]

Acta Crystallographica Section C

1,996

52

2

321

325

10.1107/S0108270195010717

0.71069

MoKα

0.0231

0.0148

null

0.0389

0.0343

null

1.132

1.096

null

has coordinates

Bruhn, C.; Preetz, W. Dipyridiniomethane cis- and trans-Difluorotetrachloroosmate(IV), cis- and trans-[(C~5~H~5~N)~2~CH~2~][OsCl~4~F~2~] Acta Crystallographica Section C 52(2) (1996) 321-325

176,759

2020-10-21

18:00:00

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2,004,481

28.103

0.004

18.37

0.003

23.755

0.006

90

null

123.58

0.01

90

null

10,217

4

293

1

null

5

C 1 2/c 1

-C 2yc

null

- C63 H56 Cl3 O4.5 S -

- C63 H55 Cl3 O4.5 S -

- C504 H440 Cl24 O36 S8 -

8

1

BR1035

Parvez, M.

A 5,18:9,14-Di-o-benzeno-6,17:7,16:8,15-trimethanobenzo[1'',2'':3,4;4'',5'':3',4']dicyclobuta[1,2-b:1',2'-b']dianthracene Derivative

Acta Crystallographica Section C

1,996

52

2

444

447

10.1107/S0108270195009607

0.71069

MoKα

null

0.098

null

0.112

null

3.42

null

has coordinates

Parvez, M. A 5,18:9,14-Di-o-benzeno-6,17:7,16:8,15-trimethanobenzo[1'',2'':3,4;4'',5'':3',4']dicyclobuta[1,2-b:1',2'-b']dianthracene Derivative Acta Crystallographica Section C 52(2) (1996) 444-447

176,435

2020-10-21

18:00:00

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2,004,482

7.9268

0.0004

7.9268

0.0004

9.1025

0.0005

90

null

90

null

90

null

571.95

0.05

298

null

Synthetic

3

P -4 21 c

P -4 2n

114

Hydroromarchite

- H4 O8 Sn6 -

- O8 Sn6 -

- O16 Sn12 -

2

0.25

BR1120

Abrahams, I.; Grimes, S. M.; Johnston, S. R.; Knowles, J. C.

Tin(II) Oxyhydroxide by X-ray Powder Diffraction

Acta Crystallographica Section C

1,996

52

2

286

288

10.1107/S0108270195012625

1.54184

CuKα

null

0.0332

null

0.0436

null

has coordinates

Abrahams, I.; Grimes, S. M.; Johnston, S. R.; Knowles, J. C. Tin(II) Oxyhydroxide by X-ray Powder Diffraction Acta Crystallographica Section C 52(2) (1996) 286-288

282,068

2023-03-26

10:12:03

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2,004,483

9.004

0.001

9

0.001

12.963

0.002

85.25

0.01

85.55

0.01

82.45

0.01

1,035.4

0.2

113

2

null

3

P -1

-P 1

2

- Cl10 Re6 Te4 -

- Cl20 Re12 Te8 -

2

1

BR1121

Mironov, Y. V.; Cody, J. A.; Ibers, J. A.

Hexachlorotetra-μ~3~-chloro-tetra-μ~3~-telluro-octohexarhenium(III)

Acta Crystallographica Section C

1,996

52

2

281

283

10.1107/S0108270195013205

1.54056

CuKα~1~

null

0.0479

null

0.112

null

1.4

null

has coordinates

Mironov, Y. V.; Cody, J. A.; Ibers, J. A. Hexachlorotetra-μ~3~-chloro-tetra-μ~3~-telluro-octohexarhenium(III) Acta Crystallographica Section C 52(2) (1996) 281-283

176,759

2020-10-21

18:00:00

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4,322,275

24.837

0.016

7.327

0.006

31.521

0.02

90

null

111.06

0.1

90

null

5,353

7

293

2

293

2

null

6

C 1 2/c 1

-C 2yc

15

- C28 H28 N P2 S2 Tc -

- C224 H224 N8 P16 S16 Tc8 -

8

1

Cristina Bolzati; Alessandra Boschi; Licia Uccelli; Erica Malagò; Giuliano Bandoli; Francesco Tisato; Fiorenzo Refosco; Roberto Pasqualini; Adriano Duatti

Synthesis of a Novel Class of trigonal Bipyramidal Nitrido Tc(V) Complexes with Phosphino-Thiol Ligands. Crystal Structure of [99gTc(N)(L1)2] [L1= 2-(Diphenylphosphino)ethanethiolato] and [99gTc(N)(L5)2] [L5= 2-(Ditolylphosphino)propanethiolato]

Inorganic Chemistry

1,999

38

4473

4479

10.1021/ic9903477

0.71073

MoKα

0.075

0.0572

null

0.1532

0.1404

null

1.06

1.112

null

has coordinates

Cristina Bolzati; Alessandra Boschi; Licia Uccelli; Erica Malagò; Giuliano Bandoli; Francesco Tisato; Fiorenzo Refosco; Roberto Pasqualini; Adriano Duatti Synthesis of a Novel Class of trigonal Bipyramidal Nitrido Tc(V) Complexes with Phosphino-Thiol Ligands. Crystal Structure of [99gTc(N)(L1)2] [L1= 2-(Diphenylphosphi...

179,325

2020-10-21

18:00:00

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2,004,484

16.373

0.004

10.4066

0.0006

17.629

0.005

90

null

90.101

0.014

90

null

3,003.8

1.1

298

null

298

null

6

P 1 21/n 1

-P 2yn

14

Aquachlorotriphenyltin.3,4,7,8-tetramethyl-1,10-phenanthroline

- C34 H33 Cl N2 O Sn -

- C136 H132 Cl4 N8 O4 Sn4 -

4

1

CF1017

Ng, S. W.

A 1:1 Adduct of Aquachlorotriphenyltin with 3,4,7,8-Tetramethyl-1,10-phenanthroline

Acta Crystallographica Section C

1,996

52

2

354

356

10.1107/S0108270195009498

0.71073

MoKα

0.048

0.0319

null

0.0814

0.073

null

1.002

1.025

null

has coordinates

Ng, S. W. A 1:1 Adduct of Aquachlorotriphenyltin with 3,4,7,8-Tetramethyl-1,10-phenanthroline Acta Crystallographica Section C 52(2) (1996) 354-356

176,759

2020-10-21

18:00:00

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2,004,485

10.2784

0.0014

10.5411

0.0014

17.794

0.003

90

null

101.332

0.011

90

null

1,890.3

0.5

294

1

294

1

null

3

P 1 21 1

P 2yb

4

Tris(4-methoxyphenyl)methanol

- C22 H22 O4 -

- C88 H88 O16 -

4

2

CF1052

Ferguson, G.; Glidewell, C.; Patterson, I. L. J.

Tris(4-methoxyphenyl)methanol

Acta Crystallographica Section C

1,996

52

2

420

423

10.1107/S0108270195013990

0.7107

MoKα

0.0869

0.0407

null

0.0979

0.0872

null

0.927

1.141

null

has coordinates

Ferguson, G.; Glidewell, C.; Patterson, I. L. J. Tris(4-methoxyphenyl)methanol Acta Crystallographica Section C 52(2) (1996) 420-423

301,791

2025-08-18

23:15:26

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2,004,486

7.7383

0.0017

15.098

0.002

22.515

0.005

90

null

90

null

90

null

2,630.5

0.9

295

null

4

P 21 21 21

P 2ac 2ab

19

- C26 H45 Na O6 -

- C27 H46 Na O6 -

- C108 H184 Na4 O24 -

4

1

CR1178

Wahle, M. C.; Stowell, J. G.; Byrn, S. R.

Sodium 3α,7α,12α-Trihydroxy-5β-cholan-24-oate Ethanolate (Sodium Cholate Ethanolate)

Acta Crystallographica Section C

1,996

52

2

325

328

10.1107/S0108270195009152

1.54184

CuKα

null

0.047

null

0.109

null

1.085

null

has coordinates

Wahle, M. C.; Stowell, J. G.; Byrn, S. R. Sodium 3α,7α,12α-Trihydroxy-5β-cholan-24-oate Ethanolate (Sodium Cholate Ethanolate) Acta Crystallographica Section C 52(2) (1996) 325-328

176,759

2020-10-21

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2,004,487

22.076

0.003

8.722

0.001

6.552

0.001

90

null

90

null

90

null

1,261.6

0.3

293

2

293

null

6

P c a 21

P 2c -2ac

29

C12 H7 Br Cl2 N2 O1

N-(4-bromophenyl)-5,6-dichloronicotinamide

- C12 H7 Br Cl2 N2 O -

- C48 H28 Br4 Cl8 N8 O4 -

4

1

CR1196

Jethmalani, J. M.; Camp, A. G.; Soman, N. G.; Hawley, J. W.; Setliff, F. L.; Holt, E. M.

N-(4-Bromophenyl)-5,6-dichloronicotinamide and 6-Chloro-5-fluoro-N-(3-pyridyl)nicotinamide

Acta Crystallographica Section C

1,996

52

2

438

441

10.1107/S0108270195012078

0.71073

MoKα

0.157

0.049

null

0.176

0.112

null

0.731

0.951

null

has coordinates

Jethmalani, J. M.; Camp, A. G.; Soman, N. G.; Hawley, J. W.; Setliff, F. L.; Holt, E. M. N-(4-Bromophenyl)-5,6-dichloronicotinamide and 6-Chloro-5-fluoro-N-(3-pyridyl)nicotinamide Acta Crystallographica Section C 52(2) (1996) 438-441

301,791

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2,004,488

7.995

0.002

12.483

0.002

11.32

0.002

90

null

108.37

0.01

90

null

1,072.2

0.4

298

null

298

2

null

6

P 1 21/n 1

-P 2yn

14

N-(3-pyridyl)-6-chloro-5-fluoronicotinamide

- C11 H7 Cl F N3 O -

- C44 H28 Cl4 F4 N12 O4 -

4

1

CR1196

Jethmalani, J. M.; Camp, A. G.; Soman, N. G.; Hawley, J. W.; Setliff, F. L.; Holt, E. M.

N-(4-Bromophenyl)-5,6-dichloronicotinamide and 6-Chloro-5-fluoro-N-(3-pyridyl)nicotinamide

Acta Crystallographica Section C

1,996

52

2

438

441

10.1107/S0108270195012078

0.71073

MoKα

0.0512

0.0398

null

0.0671

0.0588

null

1.57

null

has coordinates

Jethmalani, J. M.; Camp, A. G.; Soman, N. G.; Hawley, J. W.; Setliff, F. L.; Holt, E. M. N-(4-Bromophenyl)-5,6-dichloronicotinamide and 6-Chloro-5-fluoro-N-(3-pyridyl)nicotinamide Acta Crystallographica Section C 52(2) (1996) 438-441

301,791

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2,004,489

8.052

0.002

9.627

0.003

10.017

0.003

72.38

0.02

73.2

0.02

88.54

0.02

706.8

0.4

301

null

301

null

3

P -1

-P 1

2

dimethyl 2,2,6,6-tetramethyl-4-oxa-3,5-dioxoheptanedioate

- C12 H18 O7 -

- C24 H36 O14 -

2

1

CR1201

Graham, J. E.; Bunce, R. A.; Holt, E. M.

Dimethyl 2,2,6,6-Tetramethyl-3,5-dioxo-4-oxaheptanedioate

Acta Crystallographica Section C

1,996

52

2

436

438

10.1107/S0108270195012066

0.71073

MoKα

0.0579

0.0406

null

0.0602

0.0516

null

1.15

null

has coordinates

Graham, J. E.; Bunce, R. A.; Holt, E. M. Dimethyl 2,2,6,6-Tetramethyl-3,5-dioxo-4-oxaheptanedioate Acta Crystallographica Section C 52(2) (1996) 436-438

301,791

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2,004,490

23.593

0.001

7.0418

0.0004

14.8968

0.0006

90

null

117.422

0.004

90

null

2,196.8

0.2

293

2

293

2

null

5

C 1 2/c 1

-C 2yc

15

Bis(o-phénylènediammonium) cyclo-Tétraphosphate Dihydrate

- C12 H24 N4 O14 P4 -

- C48 H96 N16 O56 P16 -

4

0.5

DU1114

Soumhi, E. H.; Jouini, T.

Bis(o-phénylènediammonium) cyclo-Tétraphosphate Dihydrate

Acta Crystallographica Section C

1,996

52

2

432

433

10.1107/S010827019500309X

0.71069

MoKα

0.0477

0.0404

null

0.1072

0.1027

null

1.134

1.171

null

has coordinates,has Fobs

Soumhi, E. H.; Jouini, T. Bis(o-phénylènediammonium) cyclo-Tétraphosphate Dihydrate Acta Crystallographica Section C 52(2) (1996) 432-433

301,791

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2,004,491

15.204

0.002

6.1593

0.0005

5.3998

0.0004

90

null

105.401

0.009

90

null

487.51

0.09

293

null

293

null

5

C 1 2/m 1

-C 2y

12

potassium manganese(II) hydroxy-vanadate

- H2 K2 Mn3 O10 V2 -

- H4 K4 Mn6 O20 V4 -

2

0.25

DU1128

Liao, J.-H.; Guyomard, D.; Piffard, Y.; Tournoux, M.

K~2~Mn~3~(OH)~2~(VO~4~)~2~, a New Two-Dimensional Potassium Manganese(II) Hydroxyvanadate

Acta Crystallographica Section C

1,996

52

2

284

286

10.1107/S0108270195010559

0.71073

MoKα

0.052

0.04

null

0.048

0.046

null

1.82

1.93

null

has coordinates

Liao, J.-H.; Guyomard, D.; Piffard, Y.; Tournoux, M. K~2~Mn~3~(OH)~2~(VO~4~)~2~, a New Two-Dimensional Potassium Manganese(II) Hydroxyvanadate Acta Crystallographica Section C 52(2) (1996) 284-286

176,759

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2,004,492

8.1678

0.0009

9.226

0.001

8.6395

0.0008

90

null

109.678

0.008

90

null

613.02

0.11

293

null

293

null

4

P 1 21/n 1

-P 2yn

14

potassium manganese(II) polyvanadate

- K2 Mn O12 V4 -

- K4 Mn2 O24 V8 -

2

0.5

DU1131

Liao, J.-H.; Sigala, C.; Guyomard, D.; Piffard, Y.

K~2~Mn(VO~3~)~4~, a New Three-Dimensional Potassium Manganese(II) Polyvanadate

Acta Crystallographica Section C

1,996

52

2

283

284

10.1107/S0108270195012509

0.71073

MoKα

0.054

0.037

null

0.039

0.034

null

1.13

1.24

null

has coordinates

Liao, J.-H.; Sigala, C.; Guyomard, D.; Piffard, Y. K~2~Mn(VO~3~)~4~, a New Three-Dimensional Potassium Manganese(II) Polyvanadate Acta Crystallographica Section C 52(2) (1996) 283-284

176,435

2020-10-21

18:00:00

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2,004,493

4.461

0.001

7.044

0.001

7.346

0.001

80.75

0.01

73.85

0.01

81.78

0.01

217.66

0.07

120

2

120

2

null

2

P -1

-P 1

2

Diphosphorus Tetraiodide

- I4 P2 -

1

0.5

DU1134

Žák, Z.; Černík, M.

Diphosphorus Tetraiodide at 120K

Acta Crystallographica Section C

1,996

52

2

290

291

10.1107/S0108270195012510

0.71073

MoKα

0.0348

0.0316

null

0.1045

0.0915

null

1.212

1.234

null

has coordinates

Žák, Z.; Černík, M. Diphosphorus Tetraiodide at 120K Acta Crystallographica Section C 52(2) (1996) 290-291

301,791

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23:15:26

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4,322,274

8.7714

0.0007

6.4172

0.0002

10.6524

0.001

90

null

100.702

0.005

90

null

589.17

0.08

120

2

120

2

null

6

P 1 21/m 1

-P 2yb

11

- C12 H8 Mo N2 O4 Zn -

- C24 H16 Mo2 N4 O8 Zn2 -

2

0.5

Pamela J. Hagrman; Jon Zubieta

Solid-State Coordination Chemistry of Metal Oxides: Hydrothermal Synthesis and Structural Characterization of o-Phenanthroline-Ligated Copper- and Zinc-Molybdenum Oxides

Inorganic Chemistry

1,999

38

4480

4485

10.1021/ic990340p

0.71073

MoKα

0.0209

0.019

null

0.0485

0.0479

null

1.092

1.124

null

has coordinates

Pamela J. Hagrman; Jon Zubieta Solid-State Coordination Chemistry of Metal Oxides: Hydrothermal Synthesis and Structural Characterization of o-Phenanthroline-Ligated Copper- and Zinc-Molybdenum Oxides Inorganic Chemistry 38 (1999) 4480-4485

179,325

2020-10-21

18:00:00

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2,004,494

14.13

0.003

13.071

0.006

14.831

0.003

90

null

90.33

0.02

90

null

2,739.1

1.5

293

2

293

2

null

5

P 1 21/n 1

-P 2yn

14

Hexa(paraphénolammonium) cyclo-Hexaphosphate Octahydrate

- C36 H64 N6 O32 P6 -

- C72 H128 N12 O64 P12 -

2

0.5

DU1139

Soumhi, E. H.; Jouini, T.

Hexa(para-phénolammonium) cyclo-Hexaphosphate Octahydrate

Acta Crystallographica Section C

1,996

52

2

434

436

10.1107/S0108270195011528

0.71069

MoKα

0.0593

0.0358

null

0.1114

0.0808

null

1.231

1.006

null

has coordinates

Soumhi, E. H.; Jouini, T. Hexa(para-phénolammonium) cyclo-Hexaphosphate Octahydrate Acta Crystallographica Section C 52(2) (1996) 434-436

301,791

2025-08-18

23:15:26

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2,004,495

5.992

0.001

23.577

0.009

6.563

0.002

90

null

104.35

0.02

90

null

898.2

0.5

293

null

6

P 1 21/n 1

-P 2yn

14

- C12 H24 Au Cl N6 P2 -

- C12 H24 Au Cl2 N6 P2 -

- C24 H48 Au2 Cl4 N12 P4 -

2

0.5

FG1043

Assefa, Z.; Staples, R. J.; Fackler, Jnr, J. P.

Bis(1,3,5-triaza-7-phosphaadamantane-P)gold(I) Chloride

Acta Crystallographica Section C

1,996

52

2

305

307

10.1107/S0108270195008183

0.71073

MoKα

null

0.0585

null

0.1103

null

1.48

null

has coordinates

Assefa, Z.; Staples, R. J.; Fackler, Jnr, J. P. Bis(1,3,5-triaza-7-phosphaadamantane-P)gold(I) Chloride Acta Crystallographica Section C 52(2) (1996) 305-307

176,435

2020-10-21

18:00:00

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2,004,496

8.027

0.001

12.368

0.001

12.017

0.001

90

null

102.55

0.01

90

null

1,164.5

0.2

293

null

5

P 1 21/c 1

-P 2ybc

14

- C16 H36 Cd N6 S2 -

- C32 H72 Cd2 N12 S4 -

2

0.5

FG1048

Pariya, C.; Chaudhuri, N. R.; Seth, S.; Das, A.

Bis(N^1^-isopropyl-2-methylpropane-1,2-diamine)diisothiocyanatocadmium(II)

Acta Crystallographica Section C

1,996

52

2

358

360

10.1107/S0108270195008195

1.5418

CuKα

null

0.05

null

0.059

null

1.086

null

has coordinates

Pariya, C.; Chaudhuri, N. R.; Seth, S.; Das, A. Bis(N^1^-isopropyl-2-methylpropane-1,2-diamine)diisothiocyanatocadmium(II) Acta Crystallographica Section C 52(2) (1996) 358-360

301,791

2025-08-18

23:15:26

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2,004,497

10.856

0.003

15.051

0.002

10.407

0.002

97.3

0.02

103.21

0.02

96.04

0.02

1,626.1

0.6

220

null

220

null

7

P -1

-P 1

2

(±)-cis-dichloro{(isopropylamino)([1,1'-binaphthyl]-2,2'-dioxy)-phosphane} (triethylphosphine)platinum (II)

- C30 H37 Cl4 N O2 P2 Pt -

- C60 H74 Cl8 N2 O4 P4 Pt2 -

2

1

FG1071

Parvez, M.; Babu, R. P. K.; Krishnamurthy, S. S.

(±)-cis-Dichloro[P-(isopropylamino)dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine](triethylphosphine)platinum(II) Dichloromethane Solvate

Acta Crystallographica Section C

1,996

52

2

333

336

10.1107/S010827019500922X

0.71069

MoKα

null

0.039

null

0.037

null

1.47

null

has coordinates

Parvez, M.; Babu, R. P. K.; Krishnamurthy, S. S. (±)-cis-Dichloro[P-(isopropylamino)dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine](triethylphosphine)platinum(II) Dichloromethane Solvate Acta Crystallographica Section C 52(2) (1996) 333-336

176,435

2020-10-21

18:00:00

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2,004,498

10.332

0.002

7.69

0.003

15.406

0.002

90

null

92.77

0.01

90

null

1,222.6

0.6

295

null

4

P 1 2/n 1

-P 2yac

13

Tetraphenylphosphonium tri-iodide

- C24 H20 I3 P -

- C48 H40 I6 P2 -

2

0.5

FG1087

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

Tetraphenylphosphonium Triiodide

Acta Crystallographica Section C

1,996

52

2

377

378

10.1107/S0108270195010456

0.71069

MoKα

null

0.023

null

0.022

null

1.4

null

has coordinates

Parvez, M.; Wang, M.; Boorman, P. M. Tetraphenylphosphonium Triiodide Acta Crystallographica Section C 52(2) (1996) 377-378

301,791

2025-08-18

23:15:26

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2,004,499

9.506

0.001

4.725

0.001

19.166

0.008

90

null

91.79

0.01

90

null

860.4

0.4

296

2

296

null

5

P 1 21 1

P 2yb

4

iodoindomethacin

1-(4-iodobenzoyl)-5-methoxy-2-methylindole-3-acetic acid

- C19 H16 I N O4 -

- C38 H32 I2 N2 O8 -

2

1

FG1089

Loll, P. J.; Garavito, R. M.; Carrell, C. J.; Carrell, H. L.

1-(4-Iodobenzoyl)-5-methoxy-2-methyl-3-indoleacetic Acid, an Iodinated Indomethacin Analog

Acta Crystallographica Section C

1,996

52

2

455

457

10.1107/S0108270195010468

0.71073

MoKα

0.0482

0.0335

null

0.0813

0.0786

null

1.003

1.11

null

has coordinates

Loll, P. J.; Garavito, R. M.; Carrell, C. J.; Carrell, H. L. 1-(4-Iodobenzoyl)-5-methoxy-2-methyl-3-indoleacetic Acid, an Iodinated Indomethacin Analog Acta Crystallographica Section C 52(2) (1996) 455-457

301,791

2025-08-18

23:15:26

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2,004,500

6.855

0.002

7.606

0.002

13.587

0.003

75.01

0.02

87.88

0.02

70.56

0.02

644.4

0.3

295

1.5

null

4

P -1

-P 1

2

- C10 H4 N2 S6 -

- C20 H8 N4 S12 -

2

1

HU1079

Zhong, Z. J.; You, X.-Z.; Yu, K.

4,5-Dicyano-4',5'-ethylenedithiotetrathiafulvalene (CNET): a New Unsymmetrical TTF Derivative

Acta Crystallographica Section C

1,996

52

2

449

451

10.1107/S0108270195009942

0.71073

MoKα

null

0.0367

null

0.035

null

1.433

null

has coordinates

Zhong, Z. J.; You, X.-Z.; Yu, K. 4,5-Dicyano-4',5'-ethylenedithiotetrathiafulvalene (CNET): a New Unsymmetrical TTF Derivative Acta Crystallographica Section C 52(2) (1996) 449-451

301,791

2025-08-18

23:15:26

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2,004,501

5.189

0.001

5.886

0.001

16.223

0.003

90

null

91.06

0.03

90

null

495.41

0.16

293

2

293

2

null

3

P 1 21/c 1

-P 2ybc

14

3-furancarboxylic acid

- C5 H4 O3 -

- C20 H16 O12 -

4

1

JZ1035

Paluchowska, B.; Maurin, J. K.; Leciejewicz, J.

The Role of C—H···O Bonds in Stabilizing 3-Furancarboxylic Acid and its Complexes with Calcium and Strontium

Acta Crystallographica Section C

1,996

52

2

342

347

10.1107/S0108270195003246

1.54178

CuKα

0.0342

null

0.092

null

1.118

null

has coordinates

Paluchowska, B.; Maurin, J. K.; Leciejewicz, J. The Role of C—H···O Bonds in Stabilizing 3-Furancarboxylic Acid and its Complexes with Calcium and Strontium Acta Crystallographica Section C 52(2) (1996) 342-347

301,791

2025-08-18

23:15:26

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2,004,502

7.108

0.001

29.295

0.006

6.565

0.001

90

null

91.88

0.03

90

null

1,366.3

0.4

293

2

293

2

null

4

P 1 21/c 1

-P 2ybc

14

catena-(Triaqua-(3-furancarboxylato)calcium 3-furancarboxylate)

- C10 H12 Ca O9 -

- C40 H48 Ca4 O36 -

4

1

JZ1035

Paluchowska, B.; Maurin, J. K.; Leciejewicz, J.

The Role of C—H···O Bonds in Stabilizing 3-Furancarboxylic Acid and its Complexes with Calcium and Strontium

Acta Crystallographica Section C

1,996

52

2

342

347

10.1107/S0108270195003246

1.54178

CuKα

0.0458

0.0454

null

0.1316

0.1243

null

1.063

1.023

null

has coordinates

Paluchowska, B.; Maurin, J. K.; Leciejewicz, J. The Role of C—H···O Bonds in Stabilizing 3-Furancarboxylic Acid and its Complexes with Calcium and Strontium Acta Crystallographica Section C 52(2) (1996) 342-347

176,435

2020-10-21

18:00:00

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4,322,273

14.05

0.001

5.8818

0.0004

16.2268

0.0011

90

null

103.586

0.001

90

null

1,303.45

0.16

293

2

293

2

null

6

P 1 21/n 1

-P 2yn

14

- C12 H10 Cu Mo N2 O5 -

- C12 H8 Cu Mo N2 O5 -

- C48 H32 Cu4 Mo4 N8 O20 -

4

1

Pamela J. Hagrman; Jon Zubieta

Solid-State Coordination Chemistry of Metal Oxides: Hydrothermal Synthesis and Structural Characterization of o-Phenanthroline-Ligated Copper- and Zinc-Molybdenum Oxides

Inorganic Chemistry

1,999

38

4480

4485

10.1021/ic990340p

0.71073

MoKα

0.1101

0.0753

null

0.1845

0.2054

null

1.021

null

has coordinates

Pamela J. Hagrman; Jon Zubieta Solid-State Coordination Chemistry of Metal Oxides: Hydrothermal Synthesis and Structural Characterization of o-Phenanthroline-Ligated Copper- and Zinc-Molybdenum Oxides Inorganic Chemistry 38 (1999) 4480-4485

179,325

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:23:19 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179325 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/22/4322273.cif $ #-------------------------------------------------------------------...

2,004,503

7.286

0.0001

28.853

0.006

6.797

0.0001

90

null

91.82

0.03

90

null

1,428.2

0.3

293

2

293

2

null

4

P 1 21/c 1

-P 2ybc

14

catena-(Triaqua-(3-furancarboxylato)strontium 3-furancarboxylate)

- C10 H12 O9 Sr -

- C10 H12 O10 Sr -

- C40 H48 O40 Sr4 -

4

1

JZ1035

Paluchowska, B.; Maurin, J. K.; Leciejewicz, J.

The Role of C—H···O Bonds in Stabilizing 3-Furancarboxylic Acid and its Complexes with Calcium and Strontium

Acta Crystallographica Section C

1,996

52

2

342

347

10.1107/S0108270195003246

1.54178

CuKα

0.0559

0.0544

null

0.1416

0.1366

null

0.992

0.994

null

has coordinates,has disorder

Paluchowska, B.; Maurin, J. K.; Leciejewicz, J. The Role of C—H···O Bonds in Stabilizing 3-Furancarboxylic Acid and its Complexes with Calcium and Strontium Acta Crystallographica Section C 52(2) (1996) 342-347

176,759

2020-10-21

18:00:00

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2,004,504

21.604

0.008

8.788

0.004

22.082

0.01

90

null

91.45

0.03

90

null

4,191

3

130

2

130

2

null

6

C 1 2/c 1

-C 2yc

15

(bismethanol)(2,3,7,8,12,13,17,18-octaethylporphyrinato)iron(III) perchlorate

- C40 H60 Cl Fe N4 O8 -

- C40 H56 Cl Fe N4 O8 -

- C160 H224 Cl4 Fe4 N16 O32 -

4

0.5

JZ1038

Senge, M. O.

Bis(methanol-O)(2,3,7,8,12,13,17,18-octaethylporphyrinato-N,N',N'',N''')iron(III) Perchlorate Bis(methanol) Solvate, [Fe^III^(oep)(HOCH~3~)~2~](ClO~4~).2CH~3~OH

Acta Crystallographica Section C

1,996

52

2

302

305

10.1107/S0108270195006068

0.71073

MoKα

0.1118

0.0672

null

0.1798

0.1501

null

1.035

1.08

null

has coordinates

Senge, M. O. Bis(methanol-O)(2,3,7,8,12,13,17,18-octaethylporphyrinato-N,N',N'',N''')iron(III) Perchlorate Bis(methanol) Solvate, [Fe^III^(oep)(HOCH~3~)~2~](ClO~4~).2CH~3~OH Acta Crystallographica Section C 52(2) (1996) 302-305

176,759

2020-10-21

18:00:00

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2,004,505

18.262

0.004

12.956

0.007

26.52

0.02

90

null

90.4

0.03

90

null

6,275

6

293

2

293

2

null

4

P 1 2/c 1

-P 2yc

13

- C10 H6 Ca O6 -

- C240 H144 Ca24 O144 -

24

6

JZ1058

Paluchowska, B.; Maurin, J. K.; Leciejewicz, J.

Carboxylate and Furan-Ring Oxygen Bonded to Calcium in Polymeric Calcium Furoate

Acta Crystallographica Section C

1,996

52

2

347

351

10.1107/S0108270195009553

1.54183

CuKα

0.2021

0.0548

null

0.1483

0.1156

null

0.93

1.175

null

has coordinates

Paluchowska, B.; Maurin, J. K.; Leciejewicz, J. Carboxylate and Furan-Ring Oxygen Bonded to Calcium in Polymeric Calcium Furoate Acta Crystallographica Section C 52(2) (1996) 347-351

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/2/00/45/2004505.cif $ #-------------------------------------------------------------------...

2,004,506

13.113

0.003

13.315

0.003

7.405

0.002

90

null

90

null

91.39

0.03

1,292.5

0.5

299

2

299

2

null

5

P 1 1 2/n

-P 2ab

13

Tetraphenylphosphonium-pentachlorostannat

- C24 H20 Cl5 P Sn -

- C48 H40 Cl10 P2 Sn2 -

2

0.5

JZ1063

Müller, U.; Siekmann, J. Frenzen

Tetraphenylphosphonium Pentachlorostannat, PPh~4~[SnCl~5~], und Tetraphenylphosphonium Pentachlorostannat Monohydrat, PPh~4~[SnCl~5~.H~2~O]

Acta Crystallographica Section C

1,996

52

2

330

333

10.1107/S0108270195011073

0.71073

MoKα

0.0753

0.0496

null

0.1905

0.1437

null

0.141

0.123

null

has coordinates

Müller, U.; Siekmann, J. Frenzen Tetraphenylphosphonium Pentachlorostannat, PPh~4~[SnCl~5~], und Tetraphenylphosphonium Pentachlorostannat Monohydrat, PPh~4~[SnCl~5~.H~2~O] Acta Crystallographica Section C 52(2) (1996) 330-333

176,759

2020-10-21

18:00:00

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2,004,507

13.173

0.001

13.173

0.001

7.59

0.001

90

null

90

null

90

null

1,317.1

0.2

299

2

299

2

null

6

P 4/n

-P 4a

null

Tetraphenylphosphonium-pentachlorostannat-monohydrat

- C24 H22 Cl5 O P Sn -

- C48 H44 Cl10 O2 P2 Sn2 -

2

null

JZ1063

Müller, U.; Siekmann, J. Frenzen

Tetraphenylphosphonium Pentachlorostannat, PPh~4~[SnCl~5~], und Tetraphenylphosphonium Pentachlorostannat Monohydrat, PPh~4~[SnCl~5~.H~2~O]

Acta Crystallographica Section C

1,996

52

2

330

333

10.1107/S0108270195011073

0.71073

MoKα

0.0928

0.0405

null

0.1504

0.1201

null

0.993

0.98

null

has coordinates

Müller, U.; Siekmann, J. Frenzen Tetraphenylphosphonium Pentachlorostannat, PPh~4~[SnCl~5~], und Tetraphenylphosphonium Pentachlorostannat Monohydrat, PPh~4~[SnCl~5~.H~2~O] Acta Crystallographica Section C 52(2) (1996) 330-333

194,546

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-03-27 16:38:39 +0300 (Mon, 27 Mar 2017) $ #$Revision: 194546 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/45/2004507.cif $ #-------------------------------------------------------------------...

4,322,272

10.5218

0.0003

12.1113

0.0004

22.0125

0.0007

90

null

97.99

null

90

null

2,777.88

0.15

293

2

293

2

null

6

P 1 21/c 1

-P 2ybc

14

- C24 H16 Cu Mo4 N4 O13 -

- C96 H64 Cu4 Mo16 N16 O52 -

4

1

Pamela J. Hagrman; Jon Zubieta

Solid-State Coordination Chemistry of Metal Oxides: Hydrothermal Synthesis and Structural Characterization of o-Phenanthroline-Ligated Copper- and Zinc-Molybdenum Oxides

Inorganic Chemistry

1,999

38

4480

4485

10.1021/ic990340p

0.71073

MoKα

0.095

0.0622

null

0.1617

0.1484

null

0.958

1.127

null

has coordinates

Pamela J. Hagrman; Jon Zubieta Solid-State Coordination Chemistry of Metal Oxides: Hydrothermal Synthesis and Structural Characterization of o-Phenanthroline-Ligated Copper- and Zinc-Molybdenum Oxides Inorganic Chemistry 38 (1999) 4480-4485

301,838

2025-08-20

22:17:37

#------------------------------------------------------------------------------ #$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/4/32/22/4322272.cif $ #-------------------------------------------------------------------...

2,004,508

9.502

0.002

11.252

0.002

11.602

0.002

102.98

0.02

113.68

0.02

106.92

0.02

1,000.9

0.5

293

2

293

2

null

5

P -1

-P 1

2

trans-dichlorobis(tris(pentafluorophenyl)phosphane)palladium(II)

- C36 Cl2 F30 P2 Pd -

1

0.5

JZ1069

Bertsch-Frank, B.; Frank, W.

trans-Dichlorobis[tris(pentafluorophenyl)phosphane]palladium(II)

Acta Crystallographica Section C

1,996

52

2

328

330

10.1107/S0108270195011061

0.71069

MoKα

0.0961

0.0516

null

0.0727

0.0656

null

1.239

1.402

null

has coordinates

Bertsch-Frank, B.; Frank, W. trans-Dichlorobis[tris(pentafluorophenyl)phosphane]palladium(II) Acta Crystallographica Section C 52(2) (1996) 328-330

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/2/00/45/2004508.cif $ #-------------------------------------------------------------------...

2,004,509

8.708

0.002

9.047

0.002

12.961

0.003

72.4

0.03

84.61

0.03

77.36

0.03

949.3

0.4

293

2

293

2

null

5

P -1

-P 1

2

- C18 H16 Mo O7 W -

- C36 H32 Mo2 O14 W2 -

2

1

JZ1070

Frank, W.; Kreiter, C. G.; Reiß, G. J.

Hexacarbonyl(η^5:1^-2-cyclopentadienediylethyl)(μ-η^1:3^-1-ethoxy-2-propenylidene)molybdenumtungsten

Acta Crystallographica Section C

1,996

52

2

356

358

10.1107/S0108270195009577

0.71069

MoKα

0.0322

0.024

null

0.0495

0.0483

null

1.625

1.678

null

has coordinates

Frank, W.; Kreiter, C. G.; Reiß, G. J. Hexacarbonyl(η^5:1^-2-cyclopentadienediylethyl)(μ-η^1:3^-1-ethoxy-2-propenylidene)molybdenumtungsten Acta Crystallographica Section C 52(2) (1996) 356-358

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/2/00/45/2004509.cif $ #-------------------------------------------------------------------...

2,004,510

10.134

0.001

18.154

0.001

8.518

0.001

90

null

103.44

0.01

90

null

1,524.2

0.3

293

null

4

P 1 21/c 1

-P 2ybc

14

- C17 H23 N O2 -

- C68 H92 N4 O8 -

4

1

JZ1075

Pietz, S.; Haufe, G.; Fröhlich, R.; Grehl, M.

syn-1,5-Dimethylbicyclo[3.2.1]oct-8-yl N-Phenylcarbamate

Acta Crystallographica Section C

1,996

52

2

469

470

10.1107/S0108270195011796

1.54178

CuKα

0.045

0.038

null

0.103

0.096

null

1.004

null

has coordinates

Pietz, S.; Haufe, G.; Fröhlich, R.; Grehl, M. syn-1,5-Dimethylbicyclo[3.2.1]oct-8-yl N-Phenylcarbamate Acta Crystallographica Section C 52(2) (1996) 469-470

301,791

2025-08-18

23:15:26

#------------------------------------------------------------------------------ #$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/2/00/45/2004510.cif $ #-------------------------------------------------------------------...

2,004,511

11.314

0.0006

10.872

0.001

14.74

0.002

90

0.009

90.369

0.007

90

0.006

1,813.1

0.3

293

2

293

2

null

5

P 1 21/c 1

-P 2ybc

14

N,N'-Methylenedipyridinium 1-Iodo-nonahydro-closo-decaborate

- C11 H21 B10 I N2 -

- C44 H84 B40 I4 N8 -

4

1

JZ1085

Nachtigal, C.; Preetz, W.

Dipyridiniomethane 1-Iodo-closo-decaborate, [(C~5~H~5~N)~2~CH~2~][1-IB~10~H~9~]

Acta Crystallographica Section C

1,996

52

2

453

455

10.1107/S0108270195012340

0.71069

MoKα

0.0805

0.035

null

0.0992

0.0736

null

1.189

1.084

null

has coordinates

Nachtigal, C.; Preetz, W. Dipyridiniomethane 1-Iodo-closo-decaborate, [(C~5~H~5~N)~2~CH~2~][1-IB~10~H~9~] Acta Crystallographica Section C 52(2) (1996) 453-455

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/2/00/45/2004511.cif $ #-------------------------------------------------------------------...

2,004,512

8.815

0.002

10.154

0.002

17.277

0.004

76.49

0.02

87.98

0.02

74.55

0.02

1,448.7

0.6

293

2

293

2

null

6

P -1

-P 1

2

Bis(dimethylglyoximato-N,N')(triphenylphosphine)(isopropyl)rhodium(III)

- C29 H35 N4 O4 P Rh -

- C29 H29 N4 O4 P Rh -

- C58 H58 N8 O8 P2 Rh2 -

2

1

KA1124

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

Bis(dimethylglyoximato-N,N')(isopropyl)(triphenylphosphine)rhodium(III)

Acta Crystallographica Section C

1,996

52

2

315

317

10.1107/S0108270195007475

0.71069

MoKα

0.0582

0.0469

null

0.1322

0.1256

null

1.023

1.073

null

has coordinates

Dunaj-Jurčo, M.; Mikloš, D.; Potočňák, I.; Ludwig, M.; Steinborn, D. Bis(dimethylglyoximato-N,N')(isopropyl)(triphenylphosphine)rhodium(III) Acta Crystallographica Section C 52(2) (1996) 315-317

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/2/00/45/2004512.cif $ #-------------------------------------------------------------------...

2,004,513

9.463

0.005

42.025

0.004

9.089

0.004

90

null

90

null

90

null

3,615

3

293

2

293

2

null

4

P 21 21 21

P 2ac 2ab

19

- C17 H23 N O7 -

- C136 H184 N8 O56 -

8

2

KA1127

Böcskei, Z.; Keserü, G. M.; Menyhárd, D.; Huszthy, P.; Bradshaw, J. S.; Izatt, R. M.

Conformational Analysis of (S,S)-Dimethyldiketopyridino-18-crown-6

Acta Crystallographica Section C

1,996

52

2

463

466

10.1107/S0108270195011346

1.5418

CuKα

0.1589

0.0574

null

0.3983

0.1682

null

1.155

1.282

null

has coordinates

Böcskei, Z.; Keserü, G. M.; Menyhárd, D.; Huszthy, P.; Bradshaw, J. S.; Izatt, R. M. Conformational Analysis of (S,S)-Dimethyldiketopyridino-18-crown-6 Acta Crystallographica Section C 52(2) (1996) 463-466

301,791

2025-08-18

23:15:26

#------------------------------------------------------------------------------ #$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/2/00/45/2004513.cif $ #-------------------------------------------------------------------...

2,004,514

27.7

0.003

7.63

0.004

12.382

0.001

90

null

90

null

90

null

2,616.9

1.4

293

2

null

3

P n a 21

P 2c -2n

33

- C15 H20 O2 -

- C120 H160 O16 -

8

2

KA1129

Lakshmi, S.; Subramanian, K.; Koellner, G.; Steiner, Th.; Rajagopalan, K.

7β-Hydroxy-7α-(3-propargyl)-3-methylspiro[5.5]undec-2-en-1-one

Acta Crystallographica Section C

1,996

52

2

405

407

10.1107/S0108270195011334

1.54184

CuKα

null

0.047

null

0.1182

null

1.126

null

has coordinates

Lakshmi, S.; Subramanian, K.; Koellner, G.; Steiner, Th.; Rajagopalan, K. 7β-Hydroxy-7α-(3-propargyl)-3-methylspiro[5.5]undec-2-en-1-one Acta Crystallographica Section C 52(2) (1996) 405-407

301,791

2025-08-18

23:15:26

#------------------------------------------------------------------------------ #$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/2/00/45/2004514.cif $ #-------------------------------------------------------------------...

2,004,515

12.068

0.001

13.137

0.001

15.374

0.001

66.76

0.01

89.16

0.01

68.82

0.01

2,064.9

0.4

293

2

293

2

null

5

P -1

-P 1

2

2,3,5,6-1H,4H-Tetrahydro-8-trifluoromethylquinolizino[9,9a,1-gh]coumarin

- C16 H14 F3 N O2 -

- C96 H84 F18 N6 O12 -

6

3

KH1030

Yip, B.-C.; Moo, F.-M.; Lok, K.-S.; Fun, H.-K.; Sivakumar, K.

A Second Triclinic Polymorph of Coumarin 153

Acta Crystallographica Section C

1,996

52

2

477

481

10.1107/S0108270195011668

0.71073

MoKα

0.0688

0.0419

null

0.1332

0.1224

null

0.934

1.136

null

has coordinates

Yip, B.-C.; Moo, F.-M.; Lok, K.-S.; Fun, H.-K.; Sivakumar, K. A Second Triclinic Polymorph of Coumarin 153 Acta Crystallographica Section C 52(2) (1996) 477-481

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/2/00/45/2004515.cif $ #-------------------------------------------------------------------...

2,004,516

9.163

0.001

8.37

0.001

21.786

0.003

90

null

96.95

0.02

90

null

1,658.6

0.4

293

null

4

P 1 21/c 1

-P 2ybc

14

- C19 H18 N2 O2 -

- C76 H72 N8 O8 -

4

1

KH1052

Ravikumar, K.; Mohan, K. C.; Roy, S.; Singh, A. K.

A Key Intermediate in the Synthesis of Pentamidine: 4,4'-[1,5-Pentanediylbis(oxy)]bisbenzonitrile

Acta Crystallographica Section C

1,996

52

2

403

405

10.1107/S0108270195011966

0.71073

MoKα

null

0.043

null

0.049

null

0.93

null

has coordinates

Ravikumar, K.; Mohan, K. C.; Roy, S.; Singh, A. K. A Key Intermediate in the Synthesis of Pentamidine: 4,4'-[1,5-Pentanediylbis(oxy)]bisbenzonitrile Acta Crystallographica Section C 52(2) (1996) 403-405

301,791

2025-08-18

23:15:26

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2,004,517

12.681

0.007

7.261

0.004

16.654

0.009

90

null

93.65

0.02

90

null

1,530.3

1.5

130

2

130

2

null

5

P 1 21/n 1

-P 2yn

14

N-2-(1-indenyl)ethyl-toluenesulfonamide

- C18 H19 N O2 S -

- C72 H76 N4 O8 S4 -

4

1

KH1057

Gainsford, G. J.; Lensink, C.

N-[2-(1-3H-Indenyl)ethyl]-p-toluenesulfonamide

Acta Crystallographica Section C

1,996

52

2

472

474

10.1107/S0108270195013011

0.71073

MoKα

0.0731

0.0454

null

0.1053

0.0925

null

1.044

1.083

null

has coordinates

Gainsford, G. J.; Lensink, C. N-[2-(1-3H-Indenyl)ethyl]-p-toluenesulfonamide Acta Crystallographica Section C 52(2) (1996) 472-474

301,791

2025-08-18

23:15:26

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2,004,518

36.71

0.04

5.754

0.007

11.22

0.02

90

null

99.85

0.07

90

null

2,335

6

150

1

150

2

null

5

C 1 2 1

C 2y

5

- C22 H21 F3 O9 S -

- C88 H84 F12 O36 S4 -

4

1

LI1139

Barnes, J. C.; Brimacombe, J. S.; Kabir, A. K. M. S.

Methyl 3-O-Benzoyl-4,6-O-benzylidene-2-O-trifluoromethylsulfonyl-α-D-mannopyranoside

Acta Crystallographica Section C

1,996

52

2

416

418

10.1107/S0108270195012339

0.71073

MoKα

0.1675

0.053

null

0.168

0.0875

null

0.61

0.912

null

has coordinates

Barnes, J. C.; Brimacombe, J. S.; Kabir, A. K. M. S. Methyl 3-O-Benzoyl-4,6-O-benzylidene-2-O-trifluoromethylsulfonyl-α-D-mannopyranoside Acta Crystallographica Section C 52(2) (1996) 416-418

301,791

2025-08-18

23:15:26

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2,004,519

12.847

0.002

15.196

0.003

20.57

0.004

94.61

0.02

90.07

0.02

114.53

0.02

3,638.8

1.3

293

2

293

2

null

6

P -1

-P 1

2

- C82 H60 Cr2 N2 O10 P4 -

- C164 H120 Cr4 N4 O20 P8 -

2

1

MU1169

Lee, I.; Geib, S. J.; Cooper, N. J.

[PPN]~2~[Cr~2~(CO)~10~], a Salt of the Dimeric Cr^1{-^} Carbonyl Complex Without a Coordinating Counterion

Acta Crystallographica Section C

1,996

52

2

292

294

10.1107/S0108270195001454

0.71073

MoKα

0.0813

0.039

null

0.2229

0.0783

null

0.765

1.001

null

has coordinates

Lee, I.; Geib, S. J.; Cooper, N. J. [PPN]~2~[Cr~2~(CO)~10~], a Salt of the Dimeric Cr^1{-^} Carbonyl Complex Without a Coordinating Counterion Acta Crystallographica Section C 52(2) (1996) 292-294

176,759

2020-10-21

18:00:00

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2,004,520

13.818

0.001

13.818

0.001

27.285

0.003

90

null

90

null

90

null

5,209.7

0.8

295

null

5

I 41/a :2

-I 4ad

88

- C57 H38 Cl2 O12 Pb -

- C57 H36 Cl2 O12 Pb -

- C228 H144 Cl8 O48 Pb4 -

4

0.25

MU1180

Prout, K.; Vaughan-Lee, D.; Moloney, M. G.; Prottey, S. C.

Tetrakis(o-benzoylbenzoato-O,O')lead(IV) Dichloromethane Solvate

Acta Crystallographica Section C

1,996

52

2

351

354

10.1107/S0108270195007785

0.71073

MoKα

null

0.0447

null

0.0464

null

1.21

null

has coordinates

Prout, K.; Vaughan-Lee, D.; Moloney, M. G.; Prottey, S. C. Tetrakis(o-benzoylbenzoato-O,O')lead(IV) Dichloromethane Solvate Acta Crystallographica Section C 52(2) (1996) 351-354

176,432

2020-10-21

18:00:00

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2,004,521

7.92

0.002

12.929

0.003

12.177

0.002

90

null

94.86

0.03

90

null

1,242.4

0.5

293

2

293

2

null

5

C 1 2/c 1

-C 2yc

15

sodium hexanitroruthenate(II) monohydrate

- H2 N6 Na4 O13 Ru -

- H8 N24 Na16 O52 Ru4 -

4

0.5

MU1193

Gromilov, S. A.; Alekseev, V. I.; Emelyanov, V. A.; Baidina, I. A.

Sodium Hexanitroruthenate(II) Monohydrate

Acta Crystallographica Section C

1,996

52

2

288

290

10.1107/S0108270195012042

0.71069

MoKα

0.0208

0.0179

null

0.0437

0.0433

null

0.897

0.96

null

has coordinates

Gromilov, S. A.; Alekseev, V. I.; Emelyanov, V. A.; Baidina, I. A. Sodium Hexanitroruthenate(II) Monohydrate Acta Crystallographica Section C 52(2) (1996) 288-290

176,759

2020-10-21

18:00:00

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4,322,271

13.6404

0.0003

13.6404

0.0003

19.1118

0.0004

90

null

90

null

90

null

3,555.95

0.13

218

2

218

2

null

4

P 41 21 2

P 4abw 2nw

92

- C33 H47 Er N8 -

- C132 H188 Er4 N32 -

4

0.5

Dirk Pfeiffer; Bhekumusa J. Ximba; Louise M. Liable-Sands; Arnold L. Rheingold; Mary Jane Heeg; David M. Coleman; H. Bernhard Schlegel; Thomas F. Kuech; Charles H. Winter

Synthesis, Structure, and Molecular Orbital Studies of Yttrium, Erbium, and Lutetium Complexes Bearing η2-Pyrazolato Ligands: Development of a New Class of Precursors for Doping Semiconductors

Inorganic Chemistry

1,999

38

4539

4548

10.1021/ic990319o

0.71073

MoKα

0.0392

0.0269

null

0.0831

0.0501

null

0.88

0.889

null

has coordinates

Dirk Pfeiffer; Bhekumusa J. Ximba; Louise M. Liable-Sands; Arnold L. Rheingold; Mary Jane Heeg; David M. Coleman; H. Bernhard Schlegel; Thomas F. Kuech; Charles H. Winter Synthesis, Structure, and Molecular Orbital Studies of Yttrium, Erbium, and Lutetium Complexes Bearing η2-Pyrazolato Ligands: Development of a New Cl...

301,838

2025-08-20

22:17:37

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2,004,522

8.42

0.002

14.796

0.002

19.504

0.0001

90

null

96.22

0.01

90

null

2,415.5

0.7

293

2

293

2

null

6

P 1 21/c 1

-P 2ybc

14

Tetrabutylammonium Bis(1,3-dithiol-2-thione/selone-4,5-dithioate) Nickel (II)

- C38 H72 N2 Ni S9.34 Se0.66 -

- C38 H72 N2 Ni S9.348 Se0.652 -

- C76 H144 N4 Ni2 S18.696 Se1.304 -

2

0.5

MU1199

Fun, H.-K.; Sivakumar, K.; Zuo, J.-L.; Yao, T.-M.; You, X.-Z.

A 2:1 Mixture of Tetrabutylammonium Bis(4,5-dimercapto-1,3-dithiole-2-thionato)nickelate(II) and its 2-Selenone Analogue

Acta Crystallographica Section C

1,996

52

2

312

315

10.1107/S0108270195010754

0.71073

MoKα

0.0448

0.0335

null

0.0969

0.0921

null

1.07

1.15

null

has coordinates

Fun, H.-K.; Sivakumar, K.; Zuo, J.-L.; Yao, T.-M.; You, X.-Z. A 2:1 Mixture of Tetrabutylammonium Bis(4,5-dimercapto-1,3-dithiole-2-thionato)nickelate(II) and its 2-Selenone Analogue Acta Crystallographica Section C 52(2) (1996) 312-315

176,759

2020-10-21

18:00:00

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2,004,523

7.58

0.001

7.912

0.001

17.423

0.003

90

null

90

null

90

null

1,044.9

0.3

293

2

293

2

null

4

P 21 21 21

P 2ac 2ab

19

1-Dimethyl-3-tolyl thiourea.

- C10 H14 N2 S -

- C40 H56 N8 S4 -

4

1

MU1206

Ramnathan, A.; Sivakumar, K.; Janarthanan, N.; Meerarani, D.; Ramadas, K.; Fun, H.-K.

Unsymmetrically Substituted Thioureas. 1,1-Dimethyl-3-o-tolylthiourea and 1,1-Diethyl-3-o-tolylthiourea

Acta Crystallographica Section C

1,996

52

2

411

414

10.1107/S0108270195010778

0.71073

MoKα

0.066

0.0402

null

0.0919

0.0849

null

0.887

1.016

null

has coordinates

Ramnathan, A.; Sivakumar, K.; Janarthanan, N.; Meerarani, D.; Ramadas, K.; Fun, H.-K. Unsymmetrically Substituted Thioureas. 1,1-Dimethyl-3-o-tolylthiourea and 1,1-Diethyl-3-o-tolylthiourea Acta Crystallographica Section C 52(2) (1996) 411-414

301,791

2025-08-18

23:15:26

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2,004,524

8.436

0.001

8.488

0.001

17.419

0.003

90

null

90

null

90

null

1,247.3

0.3

193

2

193

2

null

4

P 21 21 21

P 2ac 2ab

19

1-Diethyl-3-tolyl thiourea.

- C12 H18 N2 S -

- C48 H72 N8 S4 -

4

1

MU1206

Ramnathan, A.; Sivakumar, K.; Janarthanan, N.; Meerarani, D.; Ramadas, K.; Fun, H.-K.

Unsymmetrically Substituted Thioureas. 1,1-Dimethyl-3-o-tolylthiourea and 1,1-Diethyl-3-o-tolylthiourea

Acta Crystallographica Section C

1,996

52

2

411

414

10.1107/S0108270195010778

0.71073

MoKα

0.032

0.0291

null

0.0792

0.0774

null

1.048

1.068

null

has coordinates

Ramnathan, A.; Sivakumar, K.; Janarthanan, N.; Meerarani, D.; Ramadas, K.; Fun, H.-K. Unsymmetrically Substituted Thioureas. 1,1-Dimethyl-3-o-tolylthiourea and 1,1-Diethyl-3-o-tolylthiourea Acta Crystallographica Section C 52(2) (1996) 411-414

301,791

2025-08-18

23:15:26

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2,004,525

20.66

0.002

7.706

0.001

29.217

0.004

90

null

90

null

90

null

4,651.5

1

293

2

293

2

null

3

P b c a

-P 2ac 2ab

61

αββα-3,4-Dimethyl-2,5-bis(3,4,5-trimethoxyphenyl)tetrahydrofuran

- C24 H32 O7 -

- C192 H256 O56 -

8

1

MU1215

Fun, H.-K.; Sivakumar, K.; Yip, B.-C.; Othman, A. H.; Said, I. M.

αββα-3,4-Dimethyl-2,5-bis(3,4,5-trimethoxyphenyl)tetrahydrofuran

Acta Crystallographica Section C

1,996

52

2

414

416

10.1107/S0108270195012054

0.71073

MoKα

0.0824

0.047

null

0.2237

0.1343

null

0.935

1.037

null

has coordinates

Fun, H.-K.; Sivakumar, K.; Yip, B.-C.; Othman, A. H.; Said, I. M. αββα-3,4-Dimethyl-2,5-bis(3,4,5-trimethoxyphenyl)tetrahydrofuran Acta Crystallographica Section C 52(2) (1996) 414-416

301,791

2025-08-18

23:15:26

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2,004,526

10.069

0.003

14.545

0.002

16.784

0.002

90

null

90.59

0.02

90

null

2,457.9

0.9

293

2

293

2

null

7

P 1 21/n 1

-P 2yn

14

Bis(diethylditiocarbamato)iodo-4-methoxyphenyltellurium(IV)

- C17 H27 I N2 O S4 Te -

- C68 H108 I4 N8 O4 S16 Te4 -

4

1

NA1148

Husebye, S.; Kudis, S.; Lindeman, S. V.

Bis(diethyldithiocarbamato)(iodo)(4-methoxyphenyl)tellurium(IV), p-MeOC~6~H~4~Te(Et~2~NCS~2~)~2~I, and its Isomorphous Partially Bromine-Replaced Analogue, p-MeOC~6~H~4~Te(Et~2~NCS~2~)~2~Br~0.41~I~0.59~

Acta Crystallographica Section C

1,996

52

2

424

429

10.1107/S0108270195004902

0.71069

MoKα

0.0498

0.0321

null

0.0878

0.0836

null

1.055

1.132

null

has coordinates,has disorder

Husebye, S.; Kudis, S.; Lindeman, S. V. Bis(diethyldithiocarbamato)(iodo)(4-methoxyphenyl)tellurium(IV), p-MeOC~6~H~4~Te(Et~2~NCS~2~)~2~I, and its Isomorphous Partially Bromine-Replaced Analogue, p-MeOC~6~H~4~Te(Et~2~NCS~2~)~2~Br~0.41~I~0.59~ Acta Crystallographica Section C 52(2) (1996) 424-429

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/2/00/45/2004526.cif $ #-------------------------------------------------------------------...

2,004,527

10.06

0.001

14.363

0.002

16.705

0.004

90

null

90.63

0.01

90

null

2,413.6

0.7

293

2

293

2

null

8

P 1 21/n 1

-P 2yn

14

(0.41Bromo/0.59Iodo)bis(diethyldithiocarbamato)-4-methoxyphenyltellurium(IV)

- C17 H27 Br0.41 I0.59 N2 O S4 Te -

- C68 H108 Br1.64 I2.36 N8 O4 S16 Te4 -

4

1

NA1148

Husebye, S.; Kudis, S.; Lindeman, S. V.

Bis(diethyldithiocarbamato)(iodo)(4-methoxyphenyl)tellurium(IV), p-MeOC~6~H~4~Te(Et~2~NCS~2~)~2~I, and its Isomorphous Partially Bromine-Replaced Analogue, p-MeOC~6~H~4~Te(Et~2~NCS~2~)~2~Br~0.41~I~0.59~

Acta Crystallographica Section C

1,996

52

2

424

429

10.1107/S0108270195004902

0.71069

MoKα

0.0824

0.0435

null

0.1337

0.0973

null

1.097

1.212

null

has coordinates,has disorder

Husebye, S.; Kudis, S.; Lindeman, S. V. Bis(diethyldithiocarbamato)(iodo)(4-methoxyphenyl)tellurium(IV), p-MeOC~6~H~4~Te(Et~2~NCS~2~)~2~I, and its Isomorphous Partially Bromine-Replaced Analogue, p-MeOC~6~H~4~Te(Et~2~NCS~2~)~2~Br~0.41~I~0.59~ Acta Crystallographica Section C 52(2) (1996) 424-429

176,759

2020-10-21

18:00:00

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2,004,528

9.156

0.005

13.324

0.002

17.564

0.002

90

null

90.96

0.03

90

null

2,142.4

1.2

293

2

293

2

null

8

P 1 21/c 1

-P 2ybc

14

Bromobis(dimethyldithiocarbamato)-4-methoxyphenyltellurium(IV) dichloromethane hemisolvate

- C13.45 H19.9 Br Cl0.9 N2 O S4 Te -

- C53.8 H79.6 Br4 Cl3.6 N8 O4 S16 Te4 -

4

1

NA1149

Husebye, S.; Kudis, S.; Lindeman, S. V.

Bromobis(dimethyldithiocarbamato)(4-methoxyphenyl)tellurium(IV) Dichloromethane Hemisolvate, p-MeOC~6~H~4~Te(Me~2~NCS~2~)~2~Br.0.5CH~2~Cl~2~

Acta Crystallographica Section C

1,996

52

2

429

432

10.1107/S0108270195004914

0.71069

MoKα

0.0848

0.0368

null

0.0958

0.0775

null

1.144

1.329

null

has coordinates,has Fobs

Husebye, S.; Kudis, S.; Lindeman, S. V. Bromobis(dimethyldithiocarbamato)(4-methoxyphenyl)tellurium(IV) Dichloromethane Hemisolvate, p-MeOC~6~H~4~Te(Me~2~NCS~2~)~2~Br.0.5CH~2~Cl~2~ Acta Crystallographica Section C 52(2) (1996) 429-432

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/2/00/45/2004528.cif $ #-------------------------------------------------------------------...

2,004,529

8.381

0.003

14.495

0.003

10.351

0.003

90

null

105.35

0.02

90

null

1,212.6

0.6

293

null

4

C 1 2/c 1

-C 2yc

15

- C12 H20 N2 O2 -

- C48 H80 N8 O8 -

4

0.5

PA1162

Dromzee, Y.; Chiarelli, R.; Gambarelli, S.; Rassat, A.

Dupeyredioxyl (1,3,5,7-Tetramethyl-2,6-diazaadamantane-N,N'-dioxyl)

Acta Crystallographica Section C

1,996

52

2

474

477

10.1107/S0108270195008286

0.71069

MoKα

null

0.035

null

0.031

null

3.2

null

has coordinates

Dromzee, Y.; Chiarelli, R.; Gambarelli, S.; Rassat, A. Dupeyredioxyl (1,3,5,7-Tetramethyl-2,6-diazaadamantane-N,N'-dioxyl) Acta Crystallographica Section C 52(2) (1996) 474-477

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/2/00/45/2004529.cif $ #-------------------------------------------------------------------...

4,322,270

11.9169

0.0001

19.573

0.0002

20.1065

0.0002

90

null

101.791

0.0007

90

null

4,590.87

0.08

218

2

218

2

null

4

P 1 21/c 1

-P 2ybc

14

- C43 H67 Er N8 -

- C172 H268 Er4 N32 -

4

1

Dirk Pfeiffer; Bhekumusa J. Ximba; Louise M. Liable-Sands; Arnold L. Rheingold; Mary Jane Heeg; David M. Coleman; H. Bernhard Schlegel; Thomas F. Kuech; Charles H. Winter

Synthesis, Structure, and Molecular Orbital Studies of Yttrium, Erbium, and Lutetium Complexes Bearing η2-Pyrazolato Ligands: Development of a New Class of Precursors for Doping Semiconductors

Inorganic Chemistry

1,999

38

4539

4548

10.1021/ic990319o

0.71073

MoKα

0.1231

0.051

null

0.085

0.1044

null

0.982

null

has coordinates,has disorder

Dirk Pfeiffer; Bhekumusa J. Ximba; Louise M. Liable-Sands; Arnold L. Rheingold; Mary Jane Heeg; David M. Coleman; H. Bernhard Schlegel; Thomas F. Kuech; Charles H. Winter Synthesis, Structure, and Molecular Orbital Studies of Yttrium, Erbium, and Lutetium Complexes Bearing η2-Pyrazolato Ligands: Development of a New Cl...

301,838

2025-08-20

22:17:37

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2,004,530

11.1558

0.0008

11.574

0.001

9.68

0.002

90

null

90

null

90

null

1,249.9

0.3

293

null

4

P b c n

-P 2n 2ab

60

- C12 H20 N2 O2 -

- C12 H20 N2 O4 -

- C48 H80 N8 O16 -

4

0.5

PA1162

Dromzee, Y.; Chiarelli, R.; Gambarelli, S.; Rassat, A.

Dupeyredioxyl (1,3,5,7-Tetramethyl-2,6-diazaadamantane-N,N'-dioxyl)

Acta Crystallographica Section C

1,996

52

2

474

477

10.1107/S0108270195008286

0.71069

MoKα

null

0.04

null

0.034

null

2.6

null

has coordinates

Dromzee, Y.; Chiarelli, R.; Gambarelli, S.; Rassat, A. Dupeyredioxyl (1,3,5,7-Tetramethyl-2,6-diazaadamantane-N,N'-dioxyl) Acta Crystallographica Section C 52(2) (1996) 474-477

176,759

2020-10-21

18:00:00

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2,004,531

8.467

0.001

5.526

0.001

35.792

0.007

90

null

90.29

0.01

90

null

1,674.6

0.5

293

null

293

null

3

P 1 21 1

P 2yb

4

4-(1-methylheptyloxycarbonyl)phenyl 4-heptyloxytolane-4'-carboxylate

- C37 H44 O5 -

- C74 H88 O10 -

2

1

PA1193

Zareba, I.; Allouchi, H.; Cotrait, M.; Destrade, C.; Nguyen, H. T.

A Chiral Mesogenic Compound

Acta Crystallographica Section C

1,996

52

2

441

444

10.1107/S0108270195008584

1.54178

CopperKα

null

0.064

null

0.074

null

has coordinates

Zareba, I.; Allouchi, H.; Cotrait, M.; Destrade, C.; Nguyen, H. T. A Chiral Mesogenic Compound Acta Crystallographica Section C 52(2) (1996) 441-444

301,791

2025-08-18

23:15:26

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2,004,532

11.6395

0.0009

5.9814

0.0006

13.6907

0.0009

90

null

94.462

0.014

90

null

950.26

0.14

293

2

293

2

null

4

P 1 21 1

P 2yb

4

(R)-1-Phenylethylaminium (S)-2-(6-methoxy-2-naphthyl)propionate

- C22 H25 N O3 -

- C44 H50 N2 O6 -

2

1

PA1198

Dupont, L.; Pirotte, B.; De Tullio, P.; Delarge, J.

Absolute Configuration of (R)-1-Phenylethylammonium (S)-2-(6-Methoxy-2-naphthyl)propionate

Acta Crystallographica Section C

1,996

52

2

393

395

10.1107/S0108270195011954

1.5418

CuKα

0.0564

0.0376

null

0.0946

0.0879

null

0.944

1.056

null

has coordinates,has Fobs

Dupont, L.; Pirotte, B.; De Tullio, P.; Delarge, J. Absolute Configuration of (R)-1-Phenylethylammonium (S)-2-(6-Methoxy-2-naphthyl)propionate Acta Crystallographica Section C 52(2) (1996) 393-395

301,791

2025-08-18

23:15:26

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2,004,533

11.9739

0.0012

10.2088

0.0011

14.662

0.002

90

null

113.836

0.007

90

null

1,639.4

0.3

293

2

293

2

null

4

P 1 21/n 1

-P 2yn

14

8-Chloro-5-(4-methylpiperazin-1-yl)-11H-pyrido[2,3-b][1,5]benzodiazepine

- C17 H18 Cl N5 -

- C68 H72 Cl4 N20 -

4

1

PA1200

Dupont, L.; Liégeois, J.-F.; Rogister, F.; Delarge, J.

8-Chloro-5-(4-methylpiperazin-1-yl)-11H-pyrido[2,3-b][1,5]benzodiazepine

Acta Crystallographica Section C

1,996

52

2

391

393

10.1107/S0108270195011942

1.5418

CuKα

0.0647

0.0425

null

0.1313

0.1072

null

0.965

1.101

null

has coordinates

Dupont, L.; Liégeois, J.-F.; Rogister, F.; Delarge, J. 8-Chloro-5-(4-methylpiperazin-1-yl)-11H-pyrido[2,3-b][1,5]benzodiazepine Acta Crystallographica Section C 52(2) (1996) 391-393

301,791

2025-08-18

23:15:26

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2,004,534

14.542

0.002

16.565

0.0002

19.334

0.002

90

null

90

null

90

null

4,657.3

0.8

293

null

3

P 21 21 21

P 2ac 2ab

19

- C52 H50 O10 -

- C208 H200 O40 -

4

1

PT1015

Shalaby, M. A.; Fronczek, F. R.; Voll, R. J.; Watkins, S. F.; Younathan, E. S.

2,3,4,5-Tetra-O-acetyl-1,6-di-O-(triphenylmethyl)-D-mannitol

Acta Crystallographica Section C

1,996

52

2

381

383

10.1107/S0108270195013618

1.54184

CuKα

null

0.034

null

0.046

null

2.273

null

has coordinates

Shalaby, M. A.; Fronczek, F. R.; Voll, R. J.; Watkins, S. F.; Younathan, E. S. 2,3,4,5-Tetra-O-acetyl-1,6-di-O-(triphenylmethyl)-D-mannitol Acta Crystallographica Section C 52(2) (1996) 381-383

301,791

2025-08-18

23:15:26

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2,004,535

12.438

0.006

4.726

0.003

16.703

0.006

90

null

92.5

0.02

90

null

980.9

0.9

296

null

296

null

4

P 1 21/n 1

-P 2yn

14

bromacetyl salicylic acid

2-bromoacetoxy-benzoic acid

- C9 H7 Br O4 -

- C36 H28 Br4 O16 -

4

1

PT1028

Loll, P. J.; Garavito, R. M.; Carrell, C. J.; Carrell, H. L.

2-Bromoacetoxybenzoic Acid, a Brominated Aspirin Analog

Acta Crystallographica Section C

1,996

52

2

375

377

10.1107/S0108270195010390

0.71073

MoKα

0.057

0.0413

null

0.1114

0.1047

null

0.961

1.117

null

has coordinates,has disorder

Loll, P. J.; Garavito, R. M.; Carrell, C. J.; Carrell, H. L. 2-Bromoacetoxybenzoic Acid, a Brominated Aspirin Analog Acta Crystallographica Section C 52(2) (1996) 375-377

301,791

2025-08-18

23:15:26

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2,004,536

5.222

0.002

8.389

0.002

4.759

0.001

93.04

0.03

102.59

0.02

92.57

0.02

202.84

0.1

291

2

291

2

null

4

P 1

1

- C6 H12 N2 O4 -

1

SX1004

Swenson, D. C.; Habermann, S. M.; Murphy, K. P.

Cyclo(L-alanyl-L-seryl).H~2~O and Cyclo(glycyl-L-seryl)

Acta Crystallographica Section C

1,996

52

2

383

387

10.1107/S0108270195012248

0.7107

MoKα

0.1051

0.0463

null

0.1346

0.1017

null

1.168

1.151

null

has coordinates

Swenson, D. C.; Habermann, S. M.; Murphy, K. P. Cyclo(L-alanyl-L-seryl).H~2~O and Cyclo(glycyl-L-seryl) Acta Crystallographica Section C 52(2) (1996) 383-387

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/2/00/45/2004536.cif $ #-------------------------------------------------------------------...

2,004,537

4.896

0.002

6.55

0.003

9.737

0.004

90

null

90.8

0.04

90

null

312.2

0.2

291

2

291

2

null

4

P 1 21 1

P 2yb

4

- C5 H8 N2 O3 -

- C10 H16 N4 O6 -

2

1

SX1004

Swenson, D. C.; Habermann, S. M.; Murphy, K. P.

Cyclo(L-alanyl-L-seryl).H~2~O and Cyclo(glycyl-L-seryl)

Acta Crystallographica Section C

1,996

52

2

383

387

10.1107/S0108270195012248

0.7107

MoKα

0.0462

0.03

null

0.0877

0.0798

null

1.093

1.074

null

has coordinates

Swenson, D. C.; Habermann, S. M.; Murphy, K. P. Cyclo(L-alanyl-L-seryl).H~2~O and Cyclo(glycyl-L-seryl) Acta Crystallographica Section C 52(2) (1996) 383-387

301,791

2025-08-18

23:15:26

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2,004,538

8.678

0.007

16.19

0.01

11.53

0.01

90

null

99

0.01

90

null

1,600

2

298

null

298

null

4

P 1 21/n 1

-P 2yn

14

Isoxazolidines

trans-phenyl(2-phenyl-1,6-dioxa-2-azaspiro[4.4]non-3-yl)methanone

- C19 H19 N O3 -

- C76 H76 N4 O12 -

4

1

SX1007

Niwayama, S.; You, Y.; Houk, K. N.; Khan, S. I.

Two Isoxazolidines

Acta Crystallographica Section C

1,996

52

2

486

489

10.1107/S0108270195013692

1.5418

CuKα

0.163

0.046

null

0.091

0.051

null

1.71

1.457

null

has coordinates,has Fobs

Niwayama, S.; You, Y.; Houk, K. N.; Khan, S. I. Two Isoxazolidines Acta Crystallographica Section C 52(2) (1996) 486-489

301,791

2025-08-18

23:15:26

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2,004,539

10.181

0.004

28.9

0.01

10.071

0.002

90

null

90

null

90

null

2,963.2

1.7

298

null

298

null

4

P b c a

-P 2ac 2ab

61

Isoxazolidines

(3α,3aα,6aα)-(hexahydro-2-phenylfuro[3,2-d]isoxazol-3-yl)phenylmethanone

- C18 H17 N O3 -

- C144 H136 N8 O24 -

8

1

SX1007

Niwayama, S.; You, Y.; Houk, K. N.; Khan, S. I.

Two Isoxazolidines

Acta Crystallographica Section C

1,996

52

2

486

489

10.1107/S0108270195013692

1.5418

CuKα

0.162

0.048

null

0.111

0.059

null

1.779

1.337

null

has coordinates,has Fobs

Niwayama, S.; You, Y.; Houk, K. N.; Khan, S. I. Two Isoxazolidines Acta Crystallographica Section C 52(2) (1996) 486-489

301,791

2025-08-18

23:15:26

#------------------------------------------------------------------------------ #$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/2/00/45/2004539.cif $ #-------------------------------------------------------------------...

2,004,540

13.66

0.003

8.94

0.002

23.207

0.007

90

null

100.14

0.02

90

null

2,789.8

1.2

298

null

7

P 1 21/c 1

-P 2ybc

14

- C23 H47 Cl Ir N O P2 -

- C23 H46 Cl Ir N O P2 -

- C92 H184 Cl4 Ir4 N4 O4 P8 -

4

1

SZ1010

Grotjahn, D. B.; Lo, H. C.; Groy, T. L.

Chlorohydrido[2(1H)-pyridonato-N,O]bis[tris(1-methylethyl)phosphine]iridium(III)

Acta Crystallographica Section C

1,996

52

2

300

302

10.1107/S0108270195003507

0.71073

MoKα

null

0.0356

null

0.0472

null

0.83

null

has coordinates

Grotjahn, D. B.; Lo, H. C.; Groy, T. L. Chlorohydrido[2(1H)-pyridonato-N,O]bis[tris(1-methylethyl)phosphine]iridium(III) Acta Crystallographica Section C 52(2) (1996) 300-302

176,759

2020-10-21

18:00:00

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2,004,541

15.899

0.001

12.272

0.002

10.618

0.001

90

null

90

null

90

null

2,071.7

0.4

293

null

4

P b c n

-P 2n 2ab

60

- C24 H29 N O2 -

- C24 H34 N O2 -

- C96 H136 N4 O8 -

4

0.5

SZ1019

Sivaraman, J.; Subramanian, K.; Velmurugan, D.; Subramanian, E.; Shanmugasundram, P. S.

3,3,6,6-Tetramethyl-10-(4-methylphenyl)-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione

Acta Crystallographica Section C

1,996

52

2

481

483

10.1107/S0108270195010171

1.54184

CuKα

null

0.056

null

0.062

null

1.38

null

has coordinates

Sivaraman, J.; Subramanian, K.; Velmurugan, D.; Subramanian, E.; Shanmugasundram, P. S. 3,3,6,6-Tetramethyl-10-(4-methylphenyl)-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione Acta Crystallographica Section C 52(2) (1996) 481-483

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/2/00/45/2004541.cif $ #-------------------------------------------------------------------...

2,004,542

12.165

0.009

12.598

0.011

8.962

0.005

90

null

94.84

0.05

90

null

1,368.6

1.7

295

null

6

P 1 21/c 1

-P 2ybc

14

- C12 H9 Cl I N O4 -

- C48 H36 Cl4 I4 N4 O16 -

4

1

SZ1024

Kerrigan, J. E.; Powers, J. C.; VanDerveer, D.

4-Chloro-7-(iodoacetyl)amino-3-methoxyisocoumarin

Acta Crystallographica Section C

1,996

52

2

451

453

10.1107/S0108270195010080

0.71073

MoKα

null

0.05

null

0.052

null

1.56

null

has coordinates

Kerrigan, J. E.; Powers, J. C.; VanDerveer, D. 4-Chloro-7-(iodoacetyl)amino-3-methoxyisocoumarin Acta Crystallographica Section C 52(2) (1996) 451-453

301,791

2025-08-18

23:15:26

#------------------------------------------------------------------------------ #$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/2/00/45/2004542.cif $ #-------------------------------------------------------------------...

2,004,543

6.872

0.001

9.96

0.002

12.782

0.002

91.72

0.01

92.14

0.01

94.31

0.01

871.3

0.3

296

2

296

2

null

7

P -1

-P 1

2

Chloro(ethylenediamine)[6-phenylimidazo[2,1-b]thiazole]platinum(II) nitrate

- C13 H16 Cl N5 O3 Pt S -

- C26 H32 Cl2 N10 O6 Pt2 S2 -

2

1

SZ1032

Arvanitis, G. M.; Griffitts, A. E.; Baffic, S. P.; Ho, D. M.

Chloro(ethylenediamine)(6-phenylimidazo[2,1-b]thiazole-N^7^)platinum(II) Nitrate

Acta Crystallographica Section C

1,996

52

2

319

321

10.1107/S0108270195010067

0.71073

MoKα

0.0292

0.023

null

0.0522

0.0502

null

1.059

1.077

null

has coordinates

Arvanitis, G. M.; Griffitts, A. E.; Baffic, S. P.; Ho, D. M. Chloro(ethylenediamine)(6-phenylimidazo[2,1-b]thiazole-N^7^)platinum(II) Nitrate Acta Crystallographica Section C 52(2) (1996) 319-321

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/2/00/45/2004543.cif $ #-------------------------------------------------------------------...

2,004,544

12.3228

0.0013

13.0782

0.0006

11.6694

0.0012

98.505

0.006

105.878

0.008

106.988

0.006

1,676.1

0.3

293

2

293

2

null

4

P -1

-P 1

2

5-Methoxybenzemethanamine 2-[(2,3-di(p-tolyl)-5-methyl-1H-inden-1-ylidene) (p-tolyl)-methyl]-N,N,-dimethyl.

- C42 H41 N O -

- C84 H82 N2 O2 -

2

1

SZ1037

Fernández-G, J. M.; Solorzano-Maldonado, K.; Panneerselvam, K.; Rodríguez-Romero, A.; Soriano-García, M.

Dimethyl(2-{[2,3-di(p-tolyl)-5-methyl-1-indenylidene](p-tolyl)methyl}-5-methoxyphenylmethyl)amine

Acta Crystallographica Section C

1,996

52

2

460

462

10.1107/S0108270195010146

1.54178

CuKα

0.0902

0.0652

null

0.2186

0.1704

null

1.106

1.058

null

has coordinates

Fernández-G, J. M.; Solorzano-Maldonado, K.; Panneerselvam, K.; Rodríguez-Romero, A.; Soriano-García, M. Dimethyl(2-{[2,3-di(p-tolyl)-5-methyl-1-indenylidene](p-tolyl)methyl}-5-methoxyphenylmethyl)amine Acta Crystallographica Section C 52(2) (1996) 460-462

301,791

2025-08-18

23:15:26

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2,004,545

9.691

0.002

9.691

0.002

24.841

0.006

90

null

90

null

120

null

2,020.4

0.8

140

2

140

2

null

3

P 32 2 1

P 32 2"

154

1,4-benzoquinonebis(1,2-diphenylethyleneketal)

1,4,9,12-Tetraoxa-2,3,10,11-tetraphenyldispiro[4.2.4.2]tetradeca-6,13-diene

- C34 H28 O4 -

- C102 H84 O12 -

3

0.5

SZ1047

Hibbs, D. E.; Hursthouse, M. B.; Malik, K. M. A.; Ward, R. S.; Pelter, A.; Aalberg, L.

2,3,10,11-Tetraphenyl-1,4,9,12-tetraoxadispiro[4.2.4.2]tetradeca-6,13-diene

Acta Crystallographica Section C

1,996

52

2

379

381

10.1107/S0108270195012327

0.71069

MoKα

0.0442

0.0309

null

0.0629

0.061

null

0.892

0.982

null

has coordinates

Hibbs, D. E.; Hursthouse, M. B.; Malik, K. M. A.; Ward, R. S.; Pelter, A.; Aalberg, L. 2,3,10,11-Tetraphenyl-1,4,9,12-tetraoxadispiro[4.2.4.2]tetradeca-6,13-diene Acta Crystallographica Section C 52(2) (1996) 379-381

301,791

2025-08-18

23:15:26

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4,322,269

20.9714

0.0003

10.6371

0.0002

22.1332

0.0001

90

null

93.397

0.001

90

null

4,928.69

0.12

218

2

218

2

null

4

P 1 21/c 1

-P 2ybc

14

- C44 H77 Er N8 -

- C176 H308 Er4 N32 -

4

1

Dirk Pfeiffer; Bhekumusa J. Ximba; Louise M. Liable-Sands; Arnold L. Rheingold; Mary Jane Heeg; David M. Coleman; H. Bernhard Schlegel; Thomas F. Kuech; Charles H. Winter

Synthesis, Structure, and Molecular Orbital Studies of Yttrium, Erbium, and Lutetium Complexes Bearing η2-Pyrazolato Ligands: Development of a New Class of Precursors for Doping Semiconductors

Inorganic Chemistry

1,999

38

4539

4548

10.1021/ic990319o

0.71073

MoKα

0.0371

0.0298

null

0.0848

0.0808

null

1.689

1.759

null

has coordinates

Dirk Pfeiffer; Bhekumusa J. Ximba; Louise M. Liable-Sands; Arnold L. Rheingold; Mary Jane Heeg; David M. Coleman; H. Bernhard Schlegel; Thomas F. Kuech; Charles H. Winter Synthesis, Structure, and Molecular Orbital Studies of Yttrium, Erbium, and Lutetium Complexes Bearing η2-Pyrazolato Ligands: Development of a New Cl...

301,838

2025-08-20

22:17:37

#------------------------------------------------------------------------------ #$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/4/32/22/4322269.cif $ #-------------------------------------------------------------------...

2,004,546

7.638

0.002

10.603

0.003

14.364

0.005

107.63

0.02

94.57

0.02

107.12

0.02

1,041.2

0.6

296

null

4

P -1

-P 1

2

- C22 H20 N6 O3 -

- C44 H40 N12 O6 -

2

1

TA1026

Yang, Q.-C.; Huang, D.-M.; Chen, H.-Y.; Tang, Y.-Q.

A 1:1 Molecular Complex of 1,5-Diphenylbiuret and Phenyl Carbamidonitrile

Acta Crystallographica Section C

1,996

52

2

470

472

10.1107/S0108270195010900

0.71073

MoKα

null

0.0578

null

0.0637

null

2.45

null

has coordinates

Yang, Q.-C.; Huang, D.-M.; Chen, H.-Y.; Tang, Y.-Q. A 1:1 Molecular Complex of 1,5-Diphenylbiuret and Phenyl Carbamidonitrile Acta Crystallographica Section C 52(2) (1996) 470-472

176,759

2020-10-21

18:00:00

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2,004,547

18.472

0.004

13.207

0.002

13.592

0.002

90

null

107.87

0.01

90

null

3,155.9

1

293

null

6

P 1 21/c 1

-P 2ybc

14

- C24 H27 Cl3 Cr N7 O12 -

- C96 H108 Cl12 Cr4 N28 O48 -

4

1

TA1028

McLachlan, G. A.; Fallon, G. D.; Spiccia, L.

[Cr{tren(impy)~3~}](ClO~4~)~3~, where tren(impy)~3~ = N[CH~2~CH~2~N= C(H)(py)]~3~

Acta Crystallographica Section C

1,996

52

2

309

312

10.1107/S0108270195008870

0.71073

MoKα

null

0.056

null

0.074

null

1.83

null

has coordinates

McLachlan, G. A.; Fallon, G. D.; Spiccia, L. [Cr{tren(impy)~3~}](ClO~4~)~3~, where tren(impy)~3~ = N[CH~2~CH~2~N= C(H)(py)]~3~ Acta Crystallographica Section C 52(2) (1996) 309-312

301,791

2025-08-18

23:15:26

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2,004,548

14.109

0.001

14.109

0.001

26.697

0.005

90

null

90

null

120

null

4,602.4

1

293

1

293

2

null

4

R -3 :H

-R 3

148

- C33 H45 N5 O3 -

- C198 H270 N30 O18 -

6

0.333333

TA1031

de Bruyn, P. J.; Gable, R. W.; Potter, A. C.; Solomon, D. H.

1:1 Adduct of Tris(4-hydroxy-3,5-dimethylbenzyl)amine and Hexamethylenetetramine

Acta Crystallographica Section C

1,996

52

2

466

468

10.1107/S0108270195011127

0.71073

MoKα

0.0468

0.0353

null

0.0974

0.0916

null

1.036

1.109

null

has coordinates

de Bruyn, P. J.; Gable, R. W.; Potter, A. C.; Solomon, D. H. 1:1 Adduct of Tris(4-hydroxy-3,5-dimethylbenzyl)amine and Hexamethylenetetramine Acta Crystallographica Section C 52(2) (1996) 466-468

301,791

2025-08-18

23:15:26

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2,004,549

7.906

0.004

14.687

0.003

32.908

0.002

90

null

92.05

0.02

90

null

3,819

2

213

1

213

1

null

5

P 1 21/n 1

-P 2yn

14

- C20 H22 Br N O5 -

- C160 H176 Br8 N8 O40 -

8

2

TA1039

Banwell, M. G.; Hockless, D. C. R.; Peters, S. C.

An ABC-ring Analogue of Paclitaxel (Taxol^TM^)

Acta Crystallographica Section C

1,996

52

2

370

372

10.1107/S0108270195010869

1.5418

CuKα

0.0571

0.041

null

0.0433

0.041

null

2.23

null

has coordinates

Banwell, M. G.; Hockless, D. C. R.; Peters, S. C. An ABC-ring Analogue of Paclitaxel (Taxol^TM^) Acta Crystallographica Section C 52(2) (1996) 370-372

301,791

2025-08-18

23:15:26

#------------------------------------------------------------------------------ #$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/2/00/45/2004549.cif $ #-------------------------------------------------------------------...

2,004,550

6.178

0.002

12.083

0.001

12.492

0.002

90

null

91.73

0.02

90

null

932.1

0.3

213.2

null

213

1

null

3

P 1 21/n 1

-P 2yn

14

- C12 H12 O2 -

- C48 H48 O8 -

4

1

TA1041

Banwell, M. G.; Hockless, D. C. R.; Walter, J. M.

4a-Phenylperhydro-1,4-dioxacyclopropa[cd]pentalene

Acta Crystallographica Section C

1,996

52

2

368

369

10.1107/S0108270195010882

1.5418

CuKα

null

0.038

null

0.035

null

1.62

null

has coordinates

Banwell, M. G.; Hockless, D. C. R.; Walter, J. M. 4a-Phenylperhydro-1,4-dioxacyclopropa[cd]pentalene Acta Crystallographica Section C 52(2) (1996) 368-369

301,791

2025-08-18

23:15:26

#------------------------------------------------------------------------------ #$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/2/00/45/2004550.cif $ #-------------------------------------------------------------------...

2,004,551

4.8061

0.001

13.262

0.004

14.195

0.004

90

null

90

null

90

null

904.8

0.4

193

2

193

2

null

4

P 21 21 21

P 2ac 2ab

19

4-Aza-9(10H)-acridone

- C12 H8 N2 O -

- C48 H32 N8 O4 -

4

1

TA1053

Clark, G. R.; Squire, C. J.

4-Aza-9(10H)-acridone

Acta Crystallographica Section C

1,996

52

2

366

368

10.1107/S0108270195011589

0.71069

MoKα

0.135

0.073

null

0.2109

0.1637

null

1.108

1.178

null

has coordinates

Clark, G. R.; Squire, C. J. 4-Aza-9(10H)-acridone Acta Crystallographica Section C 52(2) (1996) 366-368

301,791

2025-08-18

23:15:26

#------------------------------------------------------------------------------ #$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/2/00/45/2004551.cif $ #-------------------------------------------------------------------...

2,004,552

8.587

0.001

10.39

0.001

19.707

0.003

81

0.01

86.96

0.01

69.11

0.01

1,622.4

0.4

200

2

200

2

null

4

P -1

-P 1

2

Sodium tetraphenylcyclopentadienylate bis(dimethoxyethane)

- C37 H41 Na O4 -

- C74 H82 Na2 O8 -

2

1

AB1228

Näther, C.; Hauck, T.; Bock, H.

Sodium Tetraphenylcyclopentadienide Bis(dimethoxyethane)

Acta Crystallographica Section C

1,996

52

3

570

572

10.1107/S0108270195010687

0.71073

MoKα

0.0875

0.0522

null

0.1532

0.13

null

1.015

1.068

null

has coordinates

Näther, C.; Hauck, T.; Bock, H. Sodium Tetraphenylcyclopentadienide Bis(dimethoxyethane) Acta Crystallographica Section C 52(3) (1996) 570-572

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/2/00/45/2004552.cif $ #-------------------------------------------------------------------...

2,004,553

21.839

0.009

8.995

0.005

11.823

0.005

90

null

95.91

0.04

90

null

2,310.2

1.9

298

2

298

2

null

6

C 1 2/c 1

-C 2yc

15

- C26 H18 Br2 Co N2 O2 -

- C104 H72 Br8 Co4 N8 O8 -

4

0.5

AB1229

Elmali, A.; Elerman, Y.; Svoboda, I.; Fuess, H.

trans-Bis[N-(4-bromophenyl)salicylaldiminato]cobalt(II)

Acta Crystallographica Section C

1,996

52

3

553

554

10.1107/S0108270195011875

0.71069

MoKα

0.0566

0.0334

null

0.0924

0.0783

null

1.057

1.053

null

has coordinates

Elmali, A.; Elerman, Y.; Svoboda, I.; Fuess, H. trans-Bis[N-(4-bromophenyl)salicylaldiminato]cobalt(II) Acta Crystallographica Section C 52(3) (1996) 553-554

301,791

2025-08-18

23:15:26

#------------------------------------------------------------------------------ #$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/2/00/45/2004553.cif $ #-------------------------------------------------------------------...

2,004,554

15.1058

0.0006

7.5393

0.0002

6.6094

0.0003

90

null

106.2

0.003

90

null

722.84

0.05

293

null

4

C 1 2/c 1

-C 2yc

15

- C5 H4 Li2 O7 -

- C20 H16 Li8 O28 -

4

0.5

AB1272

Gonçalves, N. S.; Santos, P. S.; Vencato, I.

Lithium Croconate Dihydrate

Acta Crystallographica Section C

1,996

52

3

622

624

10.1107/S0108270195011887

0.71073

Mo

0.0517

0.0472

null

0.0513

null

0.884

null

has coordinates

Gonçalves, N. S.; Santos, P. S.; Vencato, I. Lithium Croconate Dihydrate Acta Crystallographica Section C 52(3) (1996) 622-624

191,094

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-01-30 15:55:43 +0200 (Mon, 30 Jan 2017) $ #$Revision: 191094 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/45/2004554.cif $ #-------------------------------------------------------------------...

2,004,555

13.479

0.005

10.197

0.003

13.954

0.005

90

null

115.06

0.02

90

null

1,737.4

1.1

293

null

6

C 1 2/c 1

-C 2yc

15

- C11 H21 Cd N7 Ni O -

- C11 H21 Cd N6 Ni On2 -

- C44 H84 Cd4 N24 Ni4 On8 -

4

0.5

AB1281

Yuge, H.; Nishikiori, S.-I.; Iwamoto, T.

Double and Triple Interpenetrations of the Three-Dimensional Frameworks [Cd(mea)(daptn){Ni(CN)~4~}] and [Cd(mea)(dahxn){Ni(CN)~4~}].H~2~O (mea = 2-Aminoethanol, daptn = 1,5-Diaminopentane, dahxn = 1,6-Diaminohexane)

Acta Crystallographica Section C

1,996

52

3

575

578

10.1107/S0108270195011899

0.71069

MoKα

null

0.0379

null

0.0529

null

1.359

null

has coordinates

Yuge, H.; Nishikiori, S.-I.; Iwamoto, T. Double and Triple Interpenetrations of the Three-Dimensional Frameworks [Cd(mea)(daptn){Ni(CN)~4~}] and [Cd(mea)(dahxn){Ni(CN)~4~}].H~2~O (mea = 2-Aminoethanol, daptn = 1,5-Diaminopentane, dahxn = 1,6-Diaminohexane) Acta Crystallographica Section C 52(3) (1996) 575-578

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/2/00/45/2004555.cif $ #-------------------------------------------------------------------...

2,004,556

9.247

0.002

13.434

0.006

16.367

0.003

90

null

105.6

0.02

90

null

1,958.3

1.1

293

null

6

C 1 2/c 1

-C 2yc

15

- C12 H25 Cd N7 Ni O2 -

- C12 H25 Cd N6 Ni O On2 -

- C48 H100 Cd4 N24 Ni4 O4 On8 -

4

0.5

AB1281

Yuge, H.; Nishikiori, S.-I.; Iwamoto, T.

Double and Triple Interpenetrations of the Three-Dimensional Frameworks [Cd(mea)(daptn){Ni(CN)~4~}] and [Cd(mea)(dahxn){Ni(CN)~4~}].H~2~O (mea = 2-Aminoethanol, daptn = 1,5-Diaminopentane, dahxn = 1,6-Diaminohexane)

Acta Crystallographica Section C

1,996

52

3

575

578

10.1107/S0108270195011899

0.71069

MoKα

null

0.0431

null

0.0443

null

1.172

null

has coordinates

Yuge, H.; Nishikiori, S.-I.; Iwamoto, T. Double and Triple Interpenetrations of the Three-Dimensional Frameworks [Cd(mea)(daptn){Ni(CN)~4~}] and [Cd(mea)(dahxn){Ni(CN)~4~}].H~2~O (mea = 2-Aminoethanol, daptn = 1,5-Diaminopentane, dahxn = 1,6-Diaminohexane) Acta Crystallographica Section C 52(3) (1996) 575-578

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/2/00/45/2004556.cif $ #-------------------------------------------------------------------...

2,004,557

9.001

0.001

10.321

0.001

25.121

0.002

90

null

94.85

0.01

90

null

2,325.4

0.4

293

1

293

1

null

3

P 1 21/n 1

-P 2yn

14

1,3-Dicyclopropyl-2-(1',2',3'-triphenylcyclopropen-3-yl)-propane-1,3-dione

- C30 H26 O2 -

- C120 H104 O8 -

4

1

AB1296

Kopf, J.; Bretzke, C.; Domnin, I. N.; Plotkin, V. N.

1,3-Dicyclopropyl-2-(1,2,3-triphenylcyclopropen-3-yl)propane-1,3-dione: a Substituted Cyclopropene with a β-Dicarbonyl Fragment

Acta Crystallographica Section C

1,996

52

3

722

724

10.1107/S0108270195012959

1.54178

CuKα

0.0504

0.0482

null

0.142

0.1397

null

1.049

1.07

null

has coordinates,has disorder

Kopf, J.; Bretzke, C.; Domnin, I. N.; Plotkin, V. N. 1,3-Dicyclopropyl-2-(1,2,3-triphenylcyclopropen-3-yl)propane-1,3-dione: a Substituted Cyclopropene with a β-Dicarbonyl Fragment Acta Crystallographica Section C 52(3) (1996) 722-724

301,791

2025-08-18

23:15:26

#------------------------------------------------------------------------------ #$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/2/00/45/2004557.cif $ #-------------------------------------------------------------------...

4,322,268

19.027

0.0006

21.5576

0.0008

26.6172

0.0009

90

null

90

null

90

null

10,917.7

0.6

219

2

219

2

null

4

P b c a

-P 2ac 2ab

61

- C51 H83 Er N8 -

- C408 H664 Er8 N64 -

8

1

Dirk Pfeiffer; Bhekumusa J. Ximba; Louise M. Liable-Sands; Arnold L. Rheingold; Mary Jane Heeg; David M. Coleman; H. Bernhard Schlegel; Thomas F. Kuech; Charles H. Winter

Synthesis, Structure, and Molecular Orbital Studies of Yttrium, Erbium, and Lutetium Complexes Bearing η2-Pyrazolato Ligands: Development of a New Class of Precursors for Doping Semiconductors

Inorganic Chemistry

1,999

38

4539

4548

10.1021/ic990319o

0.71073

MoKα

0.0433

0.0309

null

0.1002

0.0881

null

2.169

2.173

null

has coordinates,has disorder

Dirk Pfeiffer; Bhekumusa J. Ximba; Louise M. Liable-Sands; Arnold L. Rheingold; Mary Jane Heeg; David M. Coleman; H. Bernhard Schlegel; Thomas F. Kuech; Charles H. Winter Synthesis, Structure, and Molecular Orbital Studies of Yttrium, Erbium, and Lutetium Complexes Bearing η2-Pyrazolato Ligands: Development of a New Cl...

301,838

2025-08-20

22:17:37

#------------------------------------------------------------------------------ #$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/4/32/22/4322268.cif $ #-------------------------------------------------------------------...

2,004,558

10.882

0.001

10.367

0.001

15.778

0.001

90

null

99.39

0.01

90

null

1,756.1

0.3

293

1

293

1

null

4

P 1 21/n 1

-P 2yn

14

1,1'-(2,2-Dimethyl-1,3-propanedioyl)-5,5,5',5'-tetramethyl- bis-(1H-pyrrole)-2,2'(5H,5'H)-dione

- C17 H22 N2 O4 -

- C68 H88 N8 O16 -

4

1

AB1302

Kopf, J.; Wrobel, M. N.; Margaretha, P.

1,3-Bis(2,5-dihydro-5,5-dimethyl-2-oxo-1-pyrrolyl)-2,2-dimethyl-1,3-propanedione

Acta Crystallographica Section C

1,996

52

3

672

674

10.1107/S0108270195012960

1.54178

CuKα

0.0456

0.0437

null

0.1334

0.1297

null

1.115

1.121

null

has coordinates

Kopf, J.; Wrobel, M. N.; Margaretha, P. 1,3-Bis(2,5-dihydro-5,5-dimethyl-2-oxo-1-pyrrolyl)-2,2-dimethyl-1,3-propanedione Acta Crystallographica Section C 52(3) (1996) 672-674

301,791

2025-08-18

23:15:26

#------------------------------------------------------------------------------ #$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/2/00/45/2004558.cif $ #-------------------------------------------------------------------...

2,004,559

7.381

0.001

32.096

0.002

7.884

0.001

90

null

94.94

0.11

90

null

1,860.8

0.5

293

2

293

2

null

4

P 1 21 1

null

heroin

7,8-didehydro-4,5-epoxy-17-methylmorphinan-3,6-diol diacetate

- C21 H23 N O5 -

- C84 H92 N4 O20 -

4

2

AB1311

Deschamps, J. R.; George, C.; Flippen-Anderson, J. L.

A Diacetylmorphine Polymorph

Acta Crystallographica Section C

1,996

52

3

698

700

10.1107/S0108270195013503

1.54178

CuKα

0.0595

0.0481

null

0.1384

0.1262

null

1.006

1.011

null

has coordinates

Deschamps, J. R.; George, C.; Flippen-Anderson, J. L. A Diacetylmorphine Polymorph Acta Crystallographica Section C 52(3) (1996) 698-700

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/2/00/45/2004559.cif $ #-------------------------------------------------------------------...

2,004,560

9.1029

0.0014

11.395

0.002

17.49

0.002

90

null

104.953

0.01

90

null

1,752.8

0.5

173

2

173

2

null

5

P 1 21/c 1

-P 2ybc

14

(trifluoromethyl)triphenylphosphinegold(I)

- C19 H15 Au F3 P -

- C76 H60 Au4 F12 P4 -

4

1

AB1330

Flörke, U.; Haupt, H.-J.; Jones, P. G.

Trifluoromethyl(triphenylphosphine)gold(I)

Acta Crystallographica Section C

1,996

52

3

609

611

10.1107/S0108270195014880

0.71073

MoKα

0.0317

0.0227

null

0.0514

0.0496

null

0.924

0.994

null

has coordinates

Flörke, U.; Haupt, H.-J.; Jones, P. G. Trifluoromethyl(triphenylphosphine)gold(I) Acta Crystallographica Section C 52(3) (1996) 609-611

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/2/00/45/2004560.cif $ #-------------------------------------------------------------------...

2,004,561

9.843

0.002

13.153

0.005

18.517

0.006

87.33

0.04

78.26

0.02

84.45

0.02

2,335.3

1.3

294

1

294

1

null

5

P -1

-P 1

2

Tris(triphenylsilyl)arsenite

- C54 H45 As O3 Si3 -

- C108 H90 As2 O6 Si6 -

2

1

AB1333

Ferguson, G.; Pollock, J. W.; O'Leary, B.; Spalding, T. R.

Tris(triphenylsilanolato)arsenite(III)

Acta Crystallographica Section C

1,996

52

3

619

622

10.1107/S0108270195015629

0.7107

MolybdenumKα

0.0572

0.0386

null

0.1133

0.1072

null

1.087

1.185

null

has coordinates

Ferguson, G.; Pollock, J. W.; O'Leary, B.; Spalding, T. R. Tris(triphenylsilanolato)arsenite(III) Acta Crystallographica Section C 52(3) (1996) 619-622

301,791

2025-08-18

23:15:26

#------------------------------------------------------------------------------ #$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/2/00/45/2004561.cif $ #-------------------------------------------------------------------...

2,004,562

9.53

0.003

10.268

0.002

13.235

0.003

70.34

0.02

86.15

0.02

84.81

0.02

1,213.7

0.5

294

1

294

1

null

6

P -1

-P 1

2

5,5-bis(dimethylphenylphosphine)-arachno-4,6-dithia-5-palladanonaborane

- C16 H30 B6 P2 Pd S2 -

- C32 H60 B12 P4 Pd2 S4 -

2

1

AB1335

Ferguson, G.; McCarthy, D. E.; Spalding, T. R.; Kennedy, J. D.

5,5-Bis(dimethylphenylphosphine)-4,6-dithia-5-pallada-arachno-nonaborane

Acta Crystallographica Section C

1,996

52

3

548

550

10.1107/S0108270195015952

0.7107

MolybdenumKα

0.071

0.038

null

0.0913

0.0837

null

1

1.11

null

has coordinates

Ferguson, G.; McCarthy, D. E.; Spalding, T. R.; Kennedy, J. D. 5,5-Bis(dimethylphenylphosphine)-4,6-dithia-5-pallada-arachno-nonaborane Acta Crystallographica Section C 52(3) (1996) 548-550

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/2/00/45/2004562.cif $ #-------------------------------------------------------------------...