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

2,005,546

10.566

0.001

7.88

0.001

11.572

0.001

90

null

99.18

0.01

90

null

951.15

0.17

298

null

298

null

3

P 1 21 1

P 2yb

4

2,4,6-triphenyl pyran-3,5-dicarboxaldehyde

- C25 H18 O3 -

- C50 H36 O6 -

2

1

PA1236

Selladurai, S.; Murugesan, R.; Subramanian, K.; Chen, Y. S.; Rao, S. N.; Holt, E. M.

2,4,6-Triphenyl-4H-pyran-3,5-dicarboxaldehyde

Acta Crystallographica Section C

1,996

52

10

2599

2601

10.1107/S0108270196006798

0.71073

MoKα

null

0.0377

null

0.0446

null

1.1

null

has coordinates

Selladurai, S.; Murugesan, R.; Subramanian, K.; Chen, Y. S.; Rao, S. N.; Holt, E. M. 2,4,6-Triphenyl-4H-pyran-3,5-dicarboxaldehyde Acta Crystallographica Section C 52(10) (1996) 2599-2601

301,791

2025-08-18

23:15:27

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2,005,547

5.8088

0.0003

17.976

0.002

18.213

0.002

90

null

90

null

90

null

1,901.8

0.3

293

null

293

null

3

P 21 21 21

P 2ac 2ab

19

9β-tert-butoxy-4(E)-ethylidene-8β-methyl-5-oxobicyclo[6.3.0]undean-2β- carboxylic Acid Methyl Ester

- C20 H32 O4 -

- C80 H128 O16 -

4

1

SK1014

Mague, J. T.; Li, C.-J.; Chen, D.-L.; Lu, Y.-Q.; Haberman, J. X.

Product of a Novel Carbocyclic Enlargement in Aqueous Media: 9β-tert-Butoxy-4-(E)-ethylidene-8β-methyl-5-oxobicyclo[6.3.0]undecan-2β-carboxylic Acid Methyl Ester

Acta Crystallographica Section C

1,996

52

10

2597

2599

10.1107/S0108270196006270

0.71073

MoKα,graphitemonochromated

0.076

0.043

null

0.06

null

2.006

null

has coordinates,has Fobs

Mague, J. T.; Li, C.-J.; Chen, D.-L.; Lu, Y.-Q.; Haberman, J. X. Product of a Novel Carbocyclic Enlargement in Aqueous Media: 9β-tert-Butoxy-4-(E)-ethylidene-8β-methyl-5-oxobicyclo[6.3.0]undecan-2β-carboxylic Acid Methyl Ester Acta Crystallographica Section C 52(10) (1996) 2597-2599

208,466

2020-10-21

18:00:00

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2,005,548

9.973

0.001

10.741

0.001

27.527

0.003

90

null

90

null

90

null

2,948.7

0.5

198

2

198

2

null

5

P 21 21 21

P 2ac 2ab

19

(2aS,3S,6S,7S,7bR)-2-oxo-6-[(1R,2S)-2-phenylcyclohexyloxy]-8- [(dimethylphenyl)silyl]-2a,3,6,7,7a,7b-hexahydro-2H-1,4,5-trioxa-4a- azacyclopenta[cd]indene-3-carboxylic Acid 1-Methylethyl Ester

- C31 H39 N O7 Si -

- C124 H156 N4 O28 Si4 -

4

1

SK1015

Thorarensen, A.; Swiss, K. A.; Denmark, S. E.

(2aS,3S,6S,7S,7bR)-7-[(Dimethylphenyl)silyl]-2-oxo-6-[(1R,2S)-2-phenylcyclohexyloxy]-2a,3,6,7,7a,7b-hexahydro-2H-1,4,5-trioxa-4a-azacyclopenta[cd]indene-3-carboxylic Acid 1-Methylethyl Ester

Acta Crystallographica Section C

1,996

52

10

2558

2561

10.1107/S0108270196005434

0.71073

MoKα

0.1905

0.0905

null

0.1653

0.1245

null

1.116

1.236

null

has coordinates

Thorarensen, A.; Swiss, K. A.; Denmark, S. E. (2aS,3S,6S,7S,7bR)-7-[(Dimethylphenyl)silyl]-2-oxo-6-[(1R,2S)-2-phenylcyclohexyloxy]-2a,3,6,7,7a,7b-hexahydro-2H-1,4,5-trioxa-4a-azacyclopenta[cd]indene-3-carboxylic Acid 1-Methylethyl Ester Acta Crystallographi...

301,791

2025-08-18

23:15:27

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2,005,549

16.68

0.001

8.886

0.001

8.054

0.001

90

null

90

null

90

null

1,193.8

0.2

200

2

200

2

null

3

P b c n

-P 2n 2ab

60

diethyl 2,5-dihydroxyterephthalate

- C12 H14 O6 -

- C48 H56 O24 -

4

0.5

SK1017

Näther, C.; Bock, H.; Seitz, W.; Nagel, N.

Diethyl 2,5-Dihydroxyterephthalate at 200K

Acta Crystallographica Section C

1,996

52

10

2631

2633

10.1107/S0108270196005306

0.71073

MoKα

0.0575

0.0377

null

0.1185

0.1066

null

1.04

1.097

null

has coordinates

Näther, C.; Bock, H.; Seitz, W.; Nagel, N. Diethyl 2,5-Dihydroxyterephthalate at 200K Acta Crystallographica Section C 52(10) (1996) 2631-2633

301,791

2025-08-18

23:15:27

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4,322,155

8.2994

0.0008

8.557

0.001

18.683

0.003

79.45

0.01

83.55

0.01

72.79

0.01

1,243.6

0.3

293

2

293

2

null

6

P -1

-P 1

2

- C12 H28 Cl2 Cu N10 O9 -

- C24 H56 Cl4 Cu2 N20 O18 -

2

1

Paul V. Bernhardt

A Supramolecular Synthon for H-Bonded Transition Metal Arrays

Inorganic Chemistry

1,999

38

3481

3483

10.1021/ic990074f

0.71073

MoKα

0.1343

0.0893

null

0.3012

0.2597

null

1.083

1.199

null

has coordinates,has disorder

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

301,838

2025-08-20

22:17:36

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2,005,550

7.912

0.004

10.307

0.005

11.533

0.009

69.09

0.04

87.72

0.03

84.06

0.06

873.8

1

293

2

293

2

null

4

P -1

-P 1

2

2,2'-Bipyridinium salt of benzene-1,2,4,5-tetracarboxylic acid

- C20 H14 N2 O8 -

- C40 H28 N4 O16 -

2

1

SK1020

Mrvos-Sermek, D.; Popovic, Z.; Matkovic-Calogovic, D.

Hydrogen Bonding in the 2,2'-Bipyridinium Salt of 1,2,4,5-Benzenetetracarboxylic Acid (Pyromellitic Acid)

Acta Crystallographica Section C

1,996

52

10

2538

2541

10.1107/S0108270196003940

0.71073

MoKα

0.0993

0.0434

null

0.125

0.1032

null

1.008

1.14

null

has coordinates

Mrvos-Sermek, D.; Popovic, Z.; Matkovic-Calogovic, D. Hydrogen Bonding in the 2,2'-Bipyridinium Salt of 1,2,4,5-Benzenetetracarboxylic Acid (Pyromellitic Acid) Acta Crystallographica Section C 52(10) (1996) 2538-2541

301,791

2025-08-18

23:15:27

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2,005,551

7.135

0.001

8.338

0.002

10.089

0.002

80.53

0.03

71.16

0.03

67.56

0.03

524.5

0.2

293

2

153

1

null

5

P -1

-P 1

2

Tetraaqua(orotato)magnesium(II) Hydrate

- C5 H12 Mg N2 O9 -

- C10 H24 Mg2 N4 O18 -

2

1

SK1023

Mutikainen, I.; Hämäläinen, R.; Klinga, M.; Orama, O.; Turpeinen, U.

Triclinic Form of Tetraaqua(orotato-N,O)magnesium(II) Hydrate at 153K

Acta Crystallographica Section C

1,996

52

10

2480

2482

10.1107/S0108270196006567

0.71073

MoKα

0.0334

0.0328

null

0.0859

0.0855

null

1.06

1.071

null

has coordinates

Mutikainen, I.; Hämäläinen, R.; Klinga, M.; Orama, O.; Turpeinen, U. Triclinic Form of Tetraaqua(orotato-N,O)magnesium(II) Hydrate at 153K Acta Crystallographica Section C 52(10) (1996) 2480-2482

176,759

2020-10-21

18:00:00

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2,005,552

11.852

0.004

15.559

0.003

11.254

0.004

98.3

0.02

115.7

0.03

89.4

0.02

1,847.3

1.1

150

2

150

null

4

P -1

-P 1

2

diethylgallium

- C44 H46 Ga2 O2 -

- C88 H92 Ga4 O4 -

2

1

SK1027

Webster, M.; Browning, D. J.; Corker, J. M.

Bis[(μ-2,6-diphenylphenoxido-O:O)diethylgallium]

Acta Crystallographica Section C

1,996

52

10

2439

2441

10.1107/S010827019600755X

0.71069

MoKα

0.0409

0.0313

null

0.091

0.0844

null

0.985

1.002

null

has coordinates

Webster, M.; Browning, D. J.; Corker, J. M. Bis[(μ-2,6-diphenylphenoxido-O:O)diethylgallium] Acta Crystallographica Section C 52(10) (1996) 2439-2441

176,759

2020-10-21

18:00:00

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2,005,553

8.7043

0.001

14.988

0.002

5.5288

0.0006

93.431

0.011

99.22

0.009

100.388

0.01

697.37

0.15

150

2

150

null

4

P -1

-P 1

2

Bis(1,2-bis(n-butylthioethylene)-1,2-dithiolato-S,S')-nickel

- C20 H36 Ni S8 -

1

0.5

SK1028

Charlton, A.; Kilburn, J. D.; Underhill, A. E.; Webster, M.

A Second Triclinic Polymorph of Bis[1,2-bis(n-butylthio)ethylene-1,2-dithiolato-S,S']nickel

Acta Crystallographica Section C

1,996

52

10

2441

2442

10.1107/S010827019600769X

0.71069

MoKα

0.0578

0.0343

null

0.1047

0.089

null

1.067

1.068

null

has coordinates

Charlton, A.; Kilburn, J. D.; Underhill, A. E.; Webster, M. A Second Triclinic Polymorph of Bis[1,2-bis(n-butylthio)ethylene-1,2-dithiolato-S,S']nickel Acta Crystallographica Section C 52(10) (1996) 2441-2442

176,759

2020-10-21

18:00:00

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2,005,554

20.753

0.007

4.017

0.001

17.476

0.003

90

null

93.25

0.02

90

null

1,454.5

0.7

293

2

293

2

null

5

P 1 21/n 1

-P 2yn

14

furylbenzothiazol

3,4-bis-(2-benzothiazolyl)furan

- C18 H10 N2 O S2 -

- C72 H40 N8 O4 S8 -

4

1

SK1029

Mrvos-Sermek, D.; Tralic-Kulenovic, V.; Nagl, A.; Fiser-Jakic, L.

3,4-Bis(1,3-benzothiazol-2-yl)furan

Acta Crystallographica Section C

1,996

52

10

2541

2543

10.1107/S0108270196005446

0.7107

MoKα

0.0448

0.044

null

0.1088

0.1079

null

1.036

null

has coordinates

Mrvos-Sermek, D.; Tralic-Kulenovic, V.; Nagl, A.; Fiser-Jakic, L. 3,4-Bis(1,3-benzothiazol-2-yl)furan Acta Crystallographica Section C 52(10) (1996) 2541-2543

301,791

2025-08-18

23:15:27

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2,005,555

18.616

0.003

18.616

0.003

7.448

0.001

90

null

90

null

90

null

2,581.1

0.7

293

2

293

2

null

6

I -4 2 d

I -4 2bw

122

tetrakis(N-methylimdazole)zinc(II) perchlorate

- C16 H24 Cl2 N8 O8 Zn -

- C64 H96 Cl8 N32 O32 Zn4 -

4

0.25

SK1031

Chen, X.-M.; Huang, X.-C.; Xu, Z.-T.; Huang, X.-Y.

Tetrakis(1-methylimidazole-N^3^)zinc(II) Diperchlorate

Acta Crystallographica Section C

1,996

52

10

2482

2484

10.1107/S0108270196007706

0.71069

MoKα

0.0587

0.0534

null

0.1509

0.1454

null

1.112

1.153

null

has coordinates

Chen, X.-M.; Huang, X.-C.; Xu, Z.-T.; Huang, X.-Y. Tetrakis(1-methylimidazole-N^3^)zinc(II) Diperchlorate Acta Crystallographica Section C 52(10) (1996) 2482-2484

176,759

2020-10-21

18:00:00

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2,005,556

10.388

0.002

16.781

0.007

11.234

0.002

90

null

115.6

0.02

90

null

1,766.1

0.9

138

null

5

P 1 21/a 1

-P 2yab

14

- C30 H30 O2 Te6 Ti6 -

- C60 H60 O4 Te12 Ti12 -

2

0.5

SZ1028

Gindelberger, D. E.

[(CpTi)~6~(μ~3~-Te)~6~(μ~3~-O)~2~]

Acta Crystallographica Section C

1,996

52

10

2493

2495

10.1107/S0108270196004854

0.71073

MoKα

null

0.0318

null

0.0373

null

1.543

null

has coordinates

Gindelberger, D. E. [(CpTi)~6~(μ~3~-Te)~6~(μ~3~-O)~2~] Acta Crystallographica Section C 52(10) (1996) 2493-2495

176,759

2020-10-21

18:00:00

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2,005,557

7.1195

0.0006

9.5287

0.0008

12.3059

0.0008

82.08

0.007

75.48

0.006

76.48

0.007

782.98

0.11

295

null

295

null

3

P -1

-P 1

2

- C10 H6 O3 -

- C40 H24 O12 -

4

2

AB1365

Dekkers, J.; Kooijman, H.; Kroon, J.; Grech, E.

2-Hydroxy-1,4-naphthoquinone

Acta Crystallographica Section C

1,996

52

11

2896

2899

10.1107/S0108270196007664

0.71073

MoKα

null

0.0424

null

0.1258

null

1.072

null

has coordinates

Dekkers, J.; Kooijman, H.; Kroon, J.; Grech, E. 2-Hydroxy-1,4-naphthoquinone Acta Crystallographica Section C 52(11) (1996) 2896-2899

301,791

2025-08-18

23:15:27

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2,005,558

39.326

0.005

5.988

0.001

15.109

0.003

90

null

92.21

0.01

90

null

3,555.3

1

293

2

293

2

null

6

C 1 2/c 1

-C 2yc

15

- C22 H16 N2 Ni O S -

- C176 H128 N16 Ni8 O8 S8 -

8

1

AB1375

Elerman, Y.; Svoboda, I.

[N-(2-Mercaptophenyl)-2-hydroxynaphthaldiminato](pyridine)nickel(II)

Acta Crystallographica Section C

1,996

52

11

2705

2707

10.1107/S0108270196008281

0.71069

MoKα

0.043

0.026

null

0.07

0.064

null

1.029

1.062

null

has coordinates

Elerman, Y.; Svoboda, I. [N-(2-Mercaptophenyl)-2-hydroxynaphthaldiminato](pyridine)nickel(II) Acta Crystallographica Section C 52(11) (1996) 2705-2707

176,759

2020-10-21

18:00:00

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2,005,559

13.907

0.001

14.476

0.001

17.174

0.001

80.993

0.005

87.729

0.004

74.382

0.005

3,288.7

0.4

298

null

3

P -1

-P 1

2

- C74 H72 S8 -

- C148 H144 S16 -

2

1

AB1379

Downing, G. A.; MacNicol, D. D.; Mallinson, P. R.; Milligan, P. K.

Octakis(3,5-dimethylphenylthio)naphthalene

Acta Crystallographica Section C

1,996

52

11

2887

2889

10.1107/S0108270196007299

0.71069

MoKα

null

0.042

null

0.063

null

0.67

null

has coordinates

Downing, G. A.; MacNicol, D. D.; Mallinson, P. R.; Milligan, P. K. Octakis(3,5-dimethylphenylthio)naphthalene Acta Crystallographica Section C 52(11) (1996) 2887-2889

301,791

2025-08-18

23:15:27

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2,005,560

8.304

0.003

11.163

0.005

11.802

0.006

102.08

0.03

98.93

0.03

109.48

0.02

978

0.8

150

0.2

150

0.2

null

4

P -1

-P 1

2

3-(di-isopropylamino)prop-2-enal

- C9 H17 N O -

- C9 H15.588 N O -

- C36 H62.352 N4 O4 -

4

2

AB1382

Blake, A. J.; McNab, H.; Monahan, L. C.; Parsons, S.; Stevenson, E.

Two C-Unsubstituted Enaminals

Acta Crystallographica Section C

1,996

52

11

2814

2818

10.1107/S0108270196007020

0.71073

MoKα

0.0897

0.0638

null

0.1844

0.1598

null

0.984

1.021

null

has coordinates,has disorder

Blake, A. J.; McNab, H.; Monahan, L. C.; Parsons, S.; Stevenson, E. Two C-Unsubstituted Enaminals Acta Crystallographica Section C 52(11) (1996) 2814-2818

176,759

2020-10-21

18:00:00

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2,005,561

8.3438

0.0008

14.8912

0.0015

15.5405

0.0013

90

null

90

null

90

null

1,930.9

0.3

150

0.2

150

0.2

null

4

P b c a

-P 2ac 2ab

61

3-[N-(1,2,3,4-tetrahydroquinolinyl)]prop-2-enal

- C12 H13 N O -

- C96 H104 N8 O8 -

8

1

AB1382

Blake, A. J.; McNab, H.; Monahan, L. C.; Parsons, S.; Stevenson, E.

Two C-Unsubstituted Enaminals

Acta Crystallographica Section C

1,996

52

11

2814

2818

10.1107/S0108270196007020

0.71073

MoKα

0.0584

0.0345

null

0.1229

0.0773

null

1.034

1.068

null

has coordinates

Blake, A. J.; McNab, H.; Monahan, L. C.; Parsons, S.; Stevenson, E. Two C-Unsubstituted Enaminals Acta Crystallographica Section C 52(11) (1996) 2814-2818

301,791

2025-08-18

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2,005,562

12.274

0.001

8.086

0.001

19.097

0.002

90

null

108.24

0.01

90

null

1,800.1

0.3

295

null

4

P 1 21/c 1

-P 2ybc

14

- C18 H27 N O4 -

- C72 H108 N4 O16 -

4

1

AB1385

Özbey, S.; Temel, A.; Tunouglu, N.; Uludaug, N.

Diethyl 3-Piperidino-2,7-cycloheptadiene-1,2-dicarboxylate

Acta Crystallographica Section C

1,996

52

11

2890

2891

10.1107/S0108270196008189

0.71073

MoKα

null

0.0425

null

0.0433

null

1.22

null

has coordinates

Özbey, S.; Temel, A.; Tunouglu, N.; Uludaug, N. Diethyl 3-Piperidino-2,7-cycloheptadiene-1,2-dicarboxylate Acta Crystallographica Section C 52(11) (1996) 2890-2891

301,791

2025-08-18

23:15:27

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2,005,563

12.175

0.002

3.845

0.002

22.715

0.001

90

null

92.37

0.04

90

null

1,062.4

0.6

295

null

6

P 1 21/n 1

-P 2yn

14

- C22 H20 Cl2 Cu2 N2 O4 -

- C44 H40 Cl4 Cu4 N4 O8 -

2

0.5

AB1386

Tahir, M. N.; Ülkü, D.; Atakol, O.; Akay, A.

Bis[4-(5-chloro-2-hydroxyphenylimino-N,O:O)-2-penten-2-olato(2–)-O]dicopper(II)

Acta Crystallographica Section C

1,996

52

11

2676

2678

10.1107/S0108270196008529

0.71073

MoKα

null

0.049

null

0.052

null

1.35

null

has coordinates

Tahir, M. N.; Ülkü, D.; Atakol, O.; Akay, A. Bis[4-(5-chloro-2-hydroxyphenylimino-N,O:O)-2-penten-2-olato(2–)-O]dicopper(II) Acta Crystallographica Section C 52(11) (1996) 2676-2678

301,791

2025-08-18

23:15:27

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2,005,564

8.021

0.002

16.864

0.003

8.311

0.002

90

null

90

null

90

null

1,124.2

0.4

293

2

293

2

null

5

P b c m

-P 2c 2b

57

catena-((μ~2~-succinato)(diethylenetriamine)copper(II))

- C8 H17 Cu N3 O4 -

- C32 H68 Cu4 N12 O16 -

4

0.5

AB1387

Pajunen, A.; Pajunen, S.; Kivikoski, J.; Valkonen, J.

catena-Poly[[(diethylenetriamine-N,N',N'')copper(II)]-μ-succinato-O,O':O'']

Acta Crystallographica Section C

1,996

52

11

2689

2691

10.1107/S0108270196008505

0.71069

MoKα

0.0414

0.0279

null

0.089

0.0685

null

1.163

1.047

null

has coordinates

Pajunen, A.; Pajunen, S.; Kivikoski, J.; Valkonen, J. catena-Poly[[(diethylenetriamine-N,N',N'')copper(II)]-μ-succinato-O,O':O''] Acta Crystallographica Section C 52(11) (1996) 2689-2691

176,759

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4,322,154

17.318

0.003

17.3177

null

30.432

0.004

90

null

90

null

90

null

9,127

2

20

null

20

null

6

I 41/a :2

-I 4ad

88

- C15 H30 Cl Cu N7 O8 -

- C240 H352 Cl16 Cu16 N112 O116 -

null

Yoshiki Shii; Yuri Motoda; Toshihiro Matsuo; Fumiaki Kai; Toshio Nakashima; Jean-Pierre Tuchagues; Naohide Matsumoto

Deprotonation-Induced Enantioselective Aggregation and Deprotonation-Induced Ligand Rearrangement of Copper(II) Complexes Yield 1D Homochiral and Heterochiral Chains and a Cyclic Tetramer, Respectively

Inorganic Chemistry

1,999

38

3513

3522

10.1021/ic9813260

0.7107

MoKalpha

null

0.083

null

0.056

null

1.77

null

has coordinates

Yoshiki Shii; Yuri Motoda; Toshihiro Matsuo; Fumiaki Kai; Toshio Nakashima; Jean-Pierre Tuchagues; Naohide Matsumoto Deprotonation-Induced Enantioselective Aggregation and Deprotonation-Induced Ligand Rearrangement of Copper(II) Complexes Yield 1D Homochiral and Heterochiral Chains and a Cyclic Tetramer, Respectively I...

176,467

2020-10-21

18:00:00

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2,005,565

26.542

0.004

10.089

0.001

20.922

0.003

90

null

133.07

0.02

90

null

4,092.8

1.6

293

2

293

2

null

4

C 1 2/c 1

-C 2yc

15

9-(2-Nitrophenyl)-3,3',6,6'-tetramethylhexahydroacridin-1,8-dione

- C23 H26 N2 O4 -

- C184 H208 N16 O32 -

8

1

AB1390

Brito-Arias, M.; Ramirez, G.; Rivas, R. E.; Molins, E.; Maniukiewicz, W.

3,3,6,6-Tetramethyl-9-(2-nitrophenyl)-3,4,5,6,9,10-hexahydroacridine-1,8(2H,7H)-dione

Acta Crystallographica Section C

1,996

52

11

2811

2814

10.1107/S0108270196008530

0.71069

MoKα

0.1022

0.0625

null

0.2188

0.1722

null

0.996

1.07

null

has coordinates

Brito-Arias, M.; Ramirez, G.; Rivas, R. E.; Molins, E.; Maniukiewicz, W. 3,3,6,6-Tetramethyl-9-(2-nitrophenyl)-3,4,5,6,9,10-hexahydroacridine-1,8(2H,7H)-dione Acta Crystallographica Section C 52(11) (1996) 2811-2814

301,791

2025-08-18

23:15:27

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2,005,566

11.568

0.002

13.156

0.003

15.387

0.005

78.54

0.03

80.39

0.02

81.39

0.02

2,246.3

1

294

1

294

1

null

6

P -1

-P 1

2

3-Chloro-3,3-bis(triphenylphosphine)-1,2-dicarba-3-rhoda-closo-dodecaborane 1.1(dichloromethane) solvate

- C39.1 H43.2 B9 Cl3.2 P2 Rh -

- C38 H41 B9 Cl P2 Rh -

- C76 H82 B18 Cl2 P4 Rh2 -

2

1

AB1408

Ferguson, G.; McEneaney, P. A.; Spalding, T. R.

3-Chloro-3,3-bis(triphenylphosphine-P)-1,2-dicarba-3-rhoda-closo-dodecaborane‒ Dichloromethane (1/1.1)

Acta Crystallographica Section C

1,996

52

11

2710

2713

10.1107/S010827019600950X

0.7107

MolybdenumKα

0.1458

0.061

null

0.1364

0.1219

null

0.852

1.193

null

has coordinates

Ferguson, G.; McEneaney, P. A.; Spalding, T. R. 3-Chloro-3,3-bis(triphenylphosphine-P)-1,2-dicarba-3-rhoda-closo-dodecaborane‒ Dichloromethane (1/1.1) Acta Crystallographica Section C 52(11) (1996) 2710-2713

176,759

2020-10-21

18:00:00

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2,005,567

6.222

0.002

9.778

0.002

5.966

0.002

102.83

0.02

108.44

0.02

96.57

0.02

328.97

0.18

291

null

291

null

4

P -1

-P 1

2

- C12 H16 F4 O4 -

1

0.5

BK1152

Swenson, D. C.; Davis, C. R.; Burton, D. J.

Three 1,4-trans-Substituted Cyclohexanes

Acta Crystallographica Section C

1,996

52

11

2844

2847

10.1107/S0108270196008104

0.71073

MoKα

0

0.039

null

0.046

null

1.052

null

has coordinates

Swenson, D. C.; Davis, C. R.; Burton, D. J. Three 1,4-trans-Substituted Cyclohexanes Acta Crystallographica Section C 52(11) (1996) 2844-2847

301,791

2025-08-18

23:15:27

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2,005,568

8.807

0.003

11.447

0.003

10.644

0.003

90

null

98.54

0.03

90

null

1,061.2

0.6

291

null

291

null

3

P 1 2/c 1

-P 2yc

13

- C10 H14 F6 -

- C20 H28 F12 -

2

0.5

BK1152

Swenson, D. C.; Davis, C. R.; Burton, D. J.

Three 1,4-trans-Substituted Cyclohexanes

Acta Crystallographica Section C

1,996

52

11

2844

2847

10.1107/S0108270196008104

0.71073

MoKα

null

0.038

null

0.049

null

1.088

null

has coordinates

Swenson, D. C.; Davis, C. R.; Burton, D. J. Three 1,4-trans-Substituted Cyclohexanes Acta Crystallographica Section C 52(11) (1996) 2844-2847

301,791

2025-08-18

23:15:27

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2,005,569

6.808

0.001

10.747

0.002

7.929

0.001

90

null

102.4

0.01

90

null

566.6

0.15

291

null

291

null

3

P 1 21/n 1

-P 2yn

14

- C10 H12 F8 -

- C20 H24 F16 -

2

0.5

BK1152

Swenson, D. C.; Davis, C. R.; Burton, D. J.

Three 1,4-trans-Substituted Cyclohexanes

Acta Crystallographica Section C

1,996

52

11

2844

2847

10.1107/S0108270196008104

0.71073

MoKα

null

0.034

null

0.044

null

1.008

null

has coordinates

Swenson, D. C.; Davis, C. R.; Burton, D. J. Three 1,4-trans-Substituted Cyclohexanes Acta Crystallographica Section C 52(11) (1996) 2844-2847

301,791

2025-08-18

23:15:27

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2,005,570

21.803

0.002

12.319

0.002

7.898

0.002

90

0.02

92.11

0.02

90

0.02

2,119.9

0.7

293

2

293

2

null

5

P 1 21/c 1

-P 2ybc

14

praseodymium(III)tris(2,6-difluorobenzoate)monohydrate

catena-poly[aquapraseodymium(III)-μ2$-2,6-difluorobenzoato-O,O'- μ2$-2,6-difluorobenzoato-Prκ2$O,O',Pr'κO-μ2$-2,6-difluoro benzoato-PrκO,O',Pr''kappaO]

- C21 H11 F6 O7 Pr -

- C84 H44 F24 O28 Pr4 -

4

1

BK1180

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

Aquatris(2,6-difluorobenzoato)praseodymium(III)

Acta Crystallographica Section C

1,996

52

11

2740

2742

10.1107/S0108270196008852

0.71069

MoKα

0.0391

0.0316

null

0.0834

0.0757

null

1.148

1.114

null

has coordinates

Karipides, A. G.; Jai-nhuknan, J.; Cantrell, J. S. Aquatris(2,6-difluorobenzoato)praseodymium(III) Acta Crystallographica Section C 52(11) (1996) 2740-2742

176,759

2020-10-21

18:00:00

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2,005,571

9.962

0.002

11.4

0.003

11.897

0.002

83.93

0.02

87.19

0.02

86.95

0.02

1,340.3

0.5

294

null

294

null

4

P -1

-P 1

2

Tris(2-(2-methoxyethoxy)phenyl)phosphine oxide monohydrate

- C27 H35 O8 P -

- C29 H40 O9 P -

- C58 H80 O18 P2 -

2

1

BK1225

Livant, P. D.; Mao, J.; Webb, T. R.

Tris[2-(2-methoxyethoxy)phenyl]phosphine Oxide Monohydrate

Acta Crystallographica Section C

1,996

52

11

2924

2927

10.1107/S0108270196008906

0.71073

MoKα

0.06

0.0516

null

0.0881

0.0843

null

1.46

null

has coordinates

Livant, P. D.; Mao, J.; Webb, T. R. Tris[2-(2-methoxyethoxy)phenyl]phosphine Oxide Monohydrate Acta Crystallographica Section C 52(11) (1996) 2924-2927

176,759

2020-10-21

18:00:00

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2,005,572

7.755

0.006

15.352

0.004

13.508

0.009

90

null

95.73

0.06

90

null

1,600.2

1.7

211

null

4

P 1 21/n 1

-P 2yn

14

(1:1) p-nitroaniline/3,5-dinitromethyl salicylate co-crystal

- C14 H12 N4 O9 -

- C56 H48 N16 O36 -

4

1

BK1232

Huang, K.-S.; Britton, D.; Etter, M. C.

p-Nitroaniline–3,5-Dinitromethyl Salicylate (1:1) Co-Crystal

Acta Crystallographica Section C

1,996

52

11

2868

2871

10.1107/S0108270196008864

0.71073

MoKα

null

0.051

null

0.067

null

1.8

null

has coordinates

Huang, K.-S.; Britton, D.; Etter, M. C. p-Nitroaniline–3,5-Dinitromethyl Salicylate (1:1) Co-Crystal Acta Crystallographica Section C 52(11) (1996) 2868-2871

301,791

2025-08-18

23:15:27

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2,005,573

19.05

0.002

8.9927

0.0008

10.418

0.002

90

null

101.05

0.01

90

null

1,751.6

0.4

295

null

293

null

4

P 1 21/a 1

-P 2yab

14

Triphenylphosphinecarbomethoxymethylene

- C21 H19 O2 P -

- C84 H76 O8 P4 -

4

1

BK1237

Boyle, P. D.

Methyl Triphenylphosphoranylideneacetate: a Redetermination

Acta Crystallographica Section C

1,996

52

11

2859

2861

10.1107/S0108270196007561

0.71069

MolybdenumKα

0.042

null

0.051

null

1.61

null

has coordinates

Boyle, P. D. Methyl Triphenylphosphoranylideneacetate: a Redetermination Acta Crystallographica Section C 52(11) (1996) 2859-2861

301,791

2025-08-18

23:15:27

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2,005,574

9.634

0.003

6.5478

0.0008

8.474

0.001

90

null

98.86

0.02

90

null

528.17

0.19

190

null

190

null

3

P 1 2/m 1

-P 2y

12

- C6 H8 O2 -

- C24 H32 O8 -

4

1

BK1244

Pinkerton, A. A.; le Drian, C.; Vogel, P.

Torturing the 7-Oxabicyclo[2.2.1]heptane Skeleton with an Oxetane Ring: 4,7-Dioxatricyclo[3.2.1.0^3,6^]octane at 190K

Acta Crystallographica Section C

1,996

52

11

2927

2929

10.1107/S010827019600889X

0.7093

MoKα

0.035

0.032

null

0.051

null

2.81

null

has coordinates

Pinkerton, A. A.; le Drian, C.; Vogel, P. Torturing the 7-Oxabicyclo[2.2.1]heptane Skeleton with an Oxetane Ring: 4,7-Dioxatricyclo[3.2.1.0^3,6^]octane at 190K Acta Crystallographica Section C 52(11) (1996) 2927-2929

301,791

2025-08-18

23:15:27

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2,005,575

10.513

0.003

11.182

0.002

11.206

0.002

90

null

97.18

0.02

90

null

1,307

0.5

294.2

null

294

null

4

P 1 21/n 1

-P 2yn

14

- C12 H18 N2 S2 -

- C48 H72 N8 S8 -

4

1

BK1249

Fleming, F. F.; Hussain, Z.; Mullaney, M.; Norman, R. E.; Chang, S.-C.

(8R,8aS)-Indolizidine-1-spiro-2'-(1',3'-dithiane)-8-carbonitrile

Acta Crystallographica Section C

1,996

52

11

2849

2851

10.1107/S0108270196007548

0.7107

MoKα

null

0.06

null

0.076

null

1.92

null

has coordinates

Fleming, F. F.; Hussain, Z.; Mullaney, M.; Norman, R. E.; Chang, S.-C. (8R,8aS)-Indolizidine-1-spiro-2'-(1',3'-dithiane)-8-carbonitrile Acta Crystallographica Section C 52(11) (1996) 2849-2851

301,791

2025-08-18

23:15:27

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2,005,576

5.58

0.001

4.916

0.001

30.174

0.002

90

null

91.74

0.02

90

null

827.3

0.2

153

null

153

null

3

P 1 21/n 1

-P 2yn

14

2-naphthoic acid

naphthalene-2-carboxylic acid

- C11 H8 O2 -

- C11 H9 O2 -

- C44 H36 O8 -

4

1

BK1253

Blackburn, A. C.; Fitzgerald, L. J.; Gerkin, R. E.

2-Naphthoic Acid at 153K

Acta Crystallographica Section C

1,996

52

11

2862

2864

10.1107/S0108270196008876

0.71073

MoKα

null

0.039

null

0.047

null

1.74

null

has coordinates

Blackburn, A. C.; Fitzgerald, L. J.; Gerkin, R. E. 2-Naphthoic Acid at 153K Acta Crystallographica Section C 52(11) (1996) 2862-2864

176,759

2020-10-21

18:00:00

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2,005,577

10.066

0.0007

13.753

0.0014

14.729

0.002

66.52

0.02

80.5

0.012

75.87

0.014

1,808.4

0.4

127

2

127

2

null

5

P -1

-P 1

2

Chloro-(2,3,7,8,12,13,17,18-octaethylporphinato)gallium(III)

- C37.45 H46.9 Cl3.9 Ga N4 -

- C37.449 H44 Cl3.898 Ga N4 -

- C74.898 H88 Cl7.796 Ga2 N8 -

2

1

BK1254

Brancato-Buentello, K. E.; Coutsolelos, A. G.; Scheidt, W. R.

Chloro(2,3,7,8,12,13,17,18-octaethylporphinato)gallium(III)

Acta Crystallographica Section C

1,996

52

11

2707

2710

10.1107/S0108270196008116

0.71073

MoKα

0.1384

0.0767

null

0.1884

0.1501

null

1.025

1.047

null

has coordinates

Brancato-Buentello, K. E.; Coutsolelos, A. G.; Scheidt, W. R. Chloro(2,3,7,8,12,13,17,18-octaethylporphinato)gallium(III) Acta Crystallographica Section C 52(11) (1996) 2707-2710

198,483

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-07-05 20:20:19 +0300 (Wed, 05 Jul 2017) $ #$Revision: 198483 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/55/2005577.cif $ #-------------------------------------------------------------------...

2,005,578

8.615

0.001

9.954

0.001

29.684

0.002

90

null

90

null

90

null

2,545.5

0.4

113

2

113

2

null

4

P b c a

-P 2ac 2ab

61

Z-(O-Benzoyl)-2-aci-nitro-2-phenylacetonitrile

- C15 H10 N2 O3 -

- C120 H80 N16 O24 -

8

1

BK1280

Powell, D. R.; Hanson, P. E.; Gellman, S. H.

(Z)-2-(Benzoyl-aci-nitro)-2-phenylacetonitrile

Acta Crystallographica Section C

1,996

52

11

2945

2946

10.1107/S0108270196010827

1.54178

CuKα

0.0398

0.037

null

0.104

0.102

null

1.095

1.12

null

has coordinates

Powell, D. R.; Hanson, P. E.; Gellman, S. H. (Z)-2-(Benzoyl-aci-nitro)-2-phenylacetonitrile Acta Crystallographica Section C 52(11) (1996) 2945-2946

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/2/00/55/2005578.cif $ #-------------------------------------------------------------------...

4,322,153

21.8

0.002

8.574

0.001

16.148

0.002

90

null

130.282

0.004

90

null

2,302.6

0.5

20

null

20

null

6

C 1 c 1

C -2yc

9

- C15 H23 Cl2 Cu N7 O8 -

- C60 H92 Cl8 Cu4 N28 O36 -

null

Yoshiki Shii; Yuri Motoda; Toshihiro Matsuo; Fumiaki Kai; Toshio Nakashima; Jean-Pierre Tuchagues; Naohide Matsumoto

Deprotonation-Induced Enantioselective Aggregation and Deprotonation-Induced Ligand Rearrangement of Copper(II) Complexes Yield 1D Homochiral and Heterochiral Chains and a Cyclic Tetramer, Respectively

Inorganic Chemistry

1,999

38

3513

3522

10.1021/ic9813260

0.7107

MoKalpha

null

0.045

null

0.033

null

3.82

null

has coordinates

Yoshiki Shii; Yuri Motoda; Toshihiro Matsuo; Fumiaki Kai; Toshio Nakashima; Jean-Pierre Tuchagues; Naohide Matsumoto Deprotonation-Induced Enantioselective Aggregation and Deprotonation-Induced Ligand Rearrangement of Copper(II) Complexes Yield 1D Homochiral and Heterochiral Chains and a Cyclic Tetramer, Respectively I...

191,075

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-01-29 20:56:06 +0200 (Sun, 29 Jan 2017) $ #$Revision: 191075 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/21/4322153.cif $ #-------------------------------------------------------------------...

2,005,579

14.5086

0.0015

34.527

0.003

3.891

0.0008

90

null

91.61

0.01

90

null

1,948.4

0.5

294

2

null

5

P 1 21/n 1

-P 2yn

14

- C19.5 H15 N5 O4.5 S -

- C19.5 H13 N5 O4.43 S -

- C78 H52 N20 O17.72 S4 -

4

1

BM0002

Zhu, Y.; Liu, B.; Guo, Q.-X.; Liu, Y.-C.

(2,4-Dinitrophenyl)(10-methyl-3-phenothiazinyl)diazene Hemimethanol Solvate

Acta Crystallographica Section C

1,996

52

11

2789

2791

10.1107/S0108270196007597

1.54184

CuKα

null

0.075

null

0.075

null

1.528

null

has coordinates

Zhu, Y.; Liu, B.; Guo, Q.-X.; Liu, Y.-C. (2,4-Dinitrophenyl)(10-methyl-3-phenothiazinyl)diazene Hemimethanol Solvate Acta Crystallographica Section C 52(11) (1996) 2789-2791

191,871

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-02-07 11:11:13 +0200 (Tue, 07 Feb 2017) $ #$Revision: 191871 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/55/2005579.cif $ #-------------------------------------------------------------------...

2,005,580

9.733

0.001

10.601

0.006

13.835

0.004

93.56

0.02

94.94

0.02

94.31

0.03

1,414.8

0.9

296

null

6

P -1

-P 1

2

- C29 H23 N4 P Pd S2 -

- C58 H46 N8 P2 Pd2 S4 -

2

1

BM1065

Long, D.-L.; Xin, X.-Q.; Huang, X.-Y.

(Dimercaptomethylenepropanedinitrilato-S,S')(pyridine)(triphenylphosphine)palladium(II)‒Acetonitrile (1/1)

Acta Crystallographica Section C

1,996

52

11

2724

2726

10.1107/S0108270196004040

0.71073

MoKα

null

0.037

null

0.048

null

1.35

null

has coordinates

Long, D.-L.; Xin, X.-Q.; Huang, X.-Y. (Dimercaptomethylenepropanedinitrilato-S,S')(pyridine)(triphenylphosphine)palladium(II)‒Acetonitrile (1/1) Acta Crystallographica Section C 52(11) (1996) 2724-2726

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/55/2005580.cif $ #-------------------------------------------------------------------...

2,005,581

4.81

0.003

11.175

0.005

10.887

0.005

90

null

102.41

0.04

90

null

571.5

0.5

300

1

300

1

null

4

P 1 21/c 1

-P 2ybc

14

ammonium D,L-glycerate

- C3 H9 N O4 -

- C12 H36 N4 O16 -

4

1

BM1070

Popek, T.; Lis, T.

Ammonium, Potassium and Lithium Salts of D, L-Glyceric Acid

Acta Crystallographica Section C

1,996

52

11

2716

2720

10.1107/S0108270196007044

0.71073

MoKα

0.1209

0.0418

null

0.1127

0.0957

null

1.048

1.145

null

has coordinates

Popek, T.; Lis, T. Ammonium, Potassium and Lithium Salts of D, L-Glyceric Acid Acta Crystallographica Section C 52(11) (1996) 2716-2720

301,791

2025-08-18

23:15:27

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/55/2005581.cif $ #-------------------------------------------------------------------...

2,005,582

4.79

0.002

10.506

0.006

10.851

0.006

90

null

103.69

0.05

90

null

530.5

0.5

290

1

290

1

null

4

P 1 21/c 1

-P 2ybc

14

potassium D,L-glycerate

- C3 H5 K O4 -

- C12 H20 K4 O16 -

4

1

BM1070

Popek, T.; Lis, T.

Ammonium, Potassium and Lithium Salts of D, L-Glyceric Acid

Acta Crystallographica Section C

1,996

52

11

2716

2720

10.1107/S0108270196007044

0.71073

MoKα

0.0337

null

0.0889

null

1.089

null

has coordinates

Popek, T.; Lis, T. Ammonium, Potassium and Lithium Salts of D, L-Glyceric Acid Acta Crystallographica Section C 52(11) (1996) 2716-2720

301,791

2025-08-18

23:15:27

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/55/2005582.cif $ #-------------------------------------------------------------------...

2,005,583

5.099

0.004

11.498

0.009

8.728

0.008

90

null

104.44

0.06

90

null

495.5

0.7

293

1

293

1

null

4

P 1 21/n 1

-P 2yn

14

lithium D,L-glycerate

- C3 H5 Li O4 -

- C12 H20 Li4 O16 -

4

1

BM1070

Popek, T.; Lis, T.

Ammonium, Potassium and Lithium Salts of D, L-Glyceric Acid

Acta Crystallographica Section C

1,996

52

11

2716

2720

10.1107/S0108270196007044

0.71073

MoKα

0.05

0.0324

null

0.0984

0.0907

null

1.048

1.112

null

has coordinates

Popek, T.; Lis, T. Ammonium, Potassium and Lithium Salts of D, L-Glyceric Acid Acta Crystallographica Section C 52(11) (1996) 2716-2720

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/55/2005583.cif $ #-------------------------------------------------------------------...

2,005,584

5.974

0.0004

8.2261

0.0007

40.685

0.004

90

null

90

null

90

null

1,999.4

0.3

293

null

293

null

3

P b c a

-P 2ac 2ab

61

5-Phenylindazole

- C13 H10 N2 -

- C104 H80 N16 -

8

1

BM1080

Hager, O.; Foces-Foces, C.; Jagerovic, N.; Elguero, J.; Trofimenko, S.

5-Phenylindazole

Acta Crystallographica Section C

1,996

52

11

2894

2896

10.1107/S0108270196007068

1.5418

CuKα

0.065

0.038

null

0.057

0.044

null

0.456

0.424

null

has coordinates

Hager, O.; Foces-Foces, C.; Jagerovic, N.; Elguero, J.; Trofimenko, S. 5-Phenylindazole Acta Crystallographica Section C 52(11) (1996) 2894-2896

301,791

2025-08-18

23:15:27

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/55/2005584.cif $ #-------------------------------------------------------------------...

2,005,585

5.395

0.003

5.742

0.002

11.428

0.004

82.06

0.03

87.64

0.04

83.32

0.04

348.1

0.3

85

2

85

2

null

5

P -1

-P 1

2

sodium hydrogen bis(phosphoenolpyruvate) dihydrate

- C6 H13 Na O14 P2 -

1

0.5

BM1081

Lis, T.

Acid Salts of Phosphoenolpyruvic Acid (H~3~PEP): NaH~5~(PEP)~2~.2H~2~O and KH~5~(PEP)~2~

Acta Crystallographica Section C

1,996

52

11

2720

2724

10.1107/S0108270196007445

0.71073

MoKα

0.031

0.0265

null

0.0765

0.0741

null

1.095

1.128

null

has coordinates

Lis, T. Acid Salts of Phosphoenolpyruvic Acid (H~3~PEP): NaH~5~(PEP)~2~.2H~2~O and KH~5~(PEP)~2~ Acta Crystallographica Section C 52(11) (1996) 2720-2724

301,791

2025-08-18

23:15:27

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/55/2005585.cif $ #-------------------------------------------------------------------...

2,005,586

11.927

0.007

6.803

0.004

17.215

0.011

90

null

101.91

0.05

90

null

1,366.7

1.5

150

2

150

2

null

5

P 1 21/n 1

-P 2yn

14

potassium hydrogen bis(phosphoenolpyruvate)

- C6 H9 K O12 P2 -

- C24 H36 K4 O48 P8 -

4

1

BM1081

Lis, T.

Acid Salts of Phosphoenolpyruvic Acid (H~3~PEP): NaH~5~(PEP)~2~.2H~2~O and KH~5~(PEP)~2~

Acta Crystallographica Section C

1,996

52

11

2720

2724

10.1107/S0108270196007445

0.71073

MoKα

0.0832

0.0361

null

0.1086

0.0954

null

1.011

1.129

null

has coordinates

Lis, T. Acid Salts of Phosphoenolpyruvic Acid (H~3~PEP): NaH~5~(PEP)~2~.2H~2~O and KH~5~(PEP)~2~ Acta Crystallographica Section C 52(11) (1996) 2720-2724

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/55/2005586.cif $ #-------------------------------------------------------------------...

2,005,587

7.134

0.001

12.152

0.002

13.304

0.001

90

null

90

null

90

null

1,153.4

0.3

293

2

null

3

P c a 21

P 2c -2ac

29

- C6 H6 O3 -

- C48 H48 O24 -

8

2

Burgess, J.; Fawcett, J.; Russell, D. R.; Hider, R. C.; Hossain, M. B.; Stoner, C. R.; van der Helm, D.

Two Polymorphic Forms of 3-Hydroxy-2-methyl-4H-pyran-4-one (Maltol)

Acta Crystallographica Section C

1,996

52

11

2917

2920

10.1107/S0108270196007081

null

has coordinates

Burgess, J.; Fawcett, J.; Russell, D. R.; Hider, R. C.; Hossain, M. B.; Stoner, C. R.; van der Helm, D. Two Polymorphic Forms of 3-Hydroxy-2-methyl-4H-pyran-4-one (Maltol) Acta Crystallographica Section C 52(11) (1996) 2917-2920

301,791

2025-08-18

23:15:27

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/55/2005587.cif $ #-------------------------------------------------------------------...

2,005,588

7.166

0.002

35.909

0.01

6.982

0.002

90

null

109.79

0.03

90

null

1,690.5

0.9

163

2

163

2

null

3

P 1 21/c 1

-P 2ybc

14

Maltol

- C6 H6 O3 -

- C72 H72 O36 -

12

3

BM1083

Burgess, J.; Fawcett, J.; Russell, D. R.; Hider, R. C.; Hossain, M. B.; Stoner, C. R.; van der Helm, D.

Two Polymorphic Forms of 3-Hydroxy-2-methyl-4H-pyran-4-one (Maltol)

Acta Crystallographica Section C

1,996

52

11

2917

2920

10.1107/S0108270196007081

1.54178

CuKα

0.0581

0.0434

null

0.1274

0.1151

null

1.071

1.078

null

has coordinates

Burgess, J.; Fawcett, J.; Russell, D. R.; Hider, R. C.; Hossain, M. B.; Stoner, C. R.; van der Helm, D. Two Polymorphic Forms of 3-Hydroxy-2-methyl-4H-pyran-4-one (Maltol) Acta Crystallographica Section C 52(11) (1996) 2917-2920

301,791

2025-08-18

23:15:27

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/55/2005588.cif $ #-------------------------------------------------------------------...

2,005,589

23.826

0.007

10.098

0.004

9.881

0.004

90

null

90

null

90

null

2,377.3

1.5

293

2

293

2

null

5

P 21 21 21

P 2ac 2ab

19

2(R)-ethoxy-4(R)-(1,2;3,4-di-O-isopropylidene-a-D-galacto-1,5-pyranose-5-yl) -6-(thiazol-2-yl)-3,4-dihydro-2H-pyrane.

- C21 H31 N O8 S -

- C84 H124 N4 O32 S4 -

4

1

BM1086

Ianelli, S.; Nardelli, M.

Directly Linked C-Disaccharides: Structures of Two 3,4-Dihydro-2H-pyran Derivatives

Acta Crystallographica Section C

1,996

52

11

2853

2857

10.1107/S010827019600827X

1.54178

CuKα

0.0693

0.0313

null

0.0603

0.0497

null

0.749

0.904

null

has coordinates

Ianelli, S.; Nardelli, M. Directly Linked C-Disaccharides: Structures of Two 3,4-Dihydro-2H-pyran Derivatives Acta Crystallographica Section C 52(11) (1996) 2853-2857

301,791

2025-08-18

23:15:27

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/55/2005589.cif $ #-------------------------------------------------------------------...

2,005,590

17.339

0.004

16.43

0.005

7.222

0.003

90

null

90

null

90

null

2,057.4

1.2

293

2

293

2

null

3

P 21 21 21

P 2ac 2ab

19

2(R)-ethoxy-4(S)-(1,2;3,4-di-O-isopropylidene-a-D-galacto-1,5-pyranose-5-yl) -6-formyl-3,4-dihydro-2H-pyrane.

- C19 H28 O8 -

- C76 H112 O32 -

4

1

BM1086

Ianelli, S.; Nardelli, M.

Directly Linked C-Disaccharides: Structures of Two 3,4-Dihydro-2H-pyran Derivatives

Acta Crystallographica Section C

1,996

52

11

2853

2857

10.1107/S010827019600827X

1.54178

CuKα

0.092

0.0284

null

0.0508

0.0409

null

0.638

0.797

null

has coordinates

Ianelli, S.; Nardelli, M. Directly Linked C-Disaccharides: Structures of Two 3,4-Dihydro-2H-pyran Derivatives Acta Crystallographica Section C 52(11) (1996) 2853-2857

301,791

2025-08-18

23:15:27

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/55/2005590.cif $ #-------------------------------------------------------------------...

2,005,591

13.495

0.001

9.666

0.01

19.718

0.001

90

null

109.108

0.005

90

null

2,430

3

130

null

130

null

5

P 1 21/a 1

-P 2yab

14

- C25 H29 N O3 Sn -

- C100 H116 N4 O12 Sn4 -

4

1

BM1087

Meetsma, A.; Dijkstra, H. P.; ten Have, R.; van Leusen, A. M.

An Unexpected Trimethylstannylpyrrole from a Stannylated Derivative of Tosylmethyl Isocyanide (TosMIC) and Chalcone

Acta Crystallographica Section C

1,996

52

11

2747

2750

10.1107/S0108270196009286

0.71073

MoKα

0.0338

0.0249

null

0.0689

0.0586

null

1.071

1.083

null

has coordinates

Meetsma, A.; Dijkstra, H. P.; ten Have, R.; van Leusen, A. M. An Unexpected Trimethylstannylpyrrole from a Stannylated Derivative of Tosylmethyl Isocyanide (TosMIC) and Chalcone Acta Crystallographica Section C 52(11) (1996) 2747-2750

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/2/00/55/2005591.cif $ #-------------------------------------------------------------------...

4,322,152

13.067

0.002

15.166

0.003

15.568

0.002

90

null

108.138

0.01

90

null

2,931.9

0.8

20

null

20

null

6

P 1 21/c 1

-P 2ybc

14

- C27 H32 Cl Cu N7 O5 -

- C108 H120 Cl4 Cu4 N28 O20 -

null

Yoshiki Shii; Yuri Motoda; Toshihiro Matsuo; Fumiaki Kai; Toshio Nakashima; Jean-Pierre Tuchagues; Naohide Matsumoto

Deprotonation-Induced Enantioselective Aggregation and Deprotonation-Induced Ligand Rearrangement of Copper(II) Complexes Yield 1D Homochiral and Heterochiral Chains and a Cyclic Tetramer, Respectively

Inorganic Chemistry

1,999

38

3513

3522

10.1021/ic9813260

0.7107

MoKalpha

null

0.067

null

0.06

null

3.99

null

has coordinates

Yoshiki Shii; Yuri Motoda; Toshihiro Matsuo; Fumiaki Kai; Toshio Nakashima; Jean-Pierre Tuchagues; Naohide Matsumoto Deprotonation-Induced Enantioselective Aggregation and Deprotonation-Induced Ligand Rearrangement of Copper(II) Complexes Yield 1D Homochiral and Heterochiral Chains and a Cyclic Tetramer, Respectively I...

176,467

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $ #$Revision: 176467 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/21/4322152.cif $ #-------------------------------------------------------------------...

2,005,592

5.428

0.002

9.747

0.003

16.115

0.002

90

null

94.336

0.004

90

null

850.2

0.4

295

null

5

P 1 21/c 1

-P 2ybc

14

- C14 H6 Ag2 N4 O12 -

- C28 H12 Ag4 N8 O24 -

2

0.5

BM1093

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

Poly[bis(3,5-dinitrobenzoato-O^1^:O^2^)disilver(I)-O^2^:Ag;Ag':O^2'^]

Acta Crystallographica Section C

1,996

52

11

2678

2680

10.1107/S0108270196009298

0.71073

MoKα

null

0.049

null

0.04

null

1

null

has coordinates

Ülkü, D.; Tahir, M. N.; Movsumov, E. M. Poly[bis(3,5-dinitrobenzoato-O^1^:O^2^)disilver(I)-O^2^:Ag;Ag':O^2'^] Acta Crystallographica Section C 52(11) (1996) 2678-2680

301,791

2025-08-18

23:15:27

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2,005,593

3.7491

0.0003

3.7491

0.0003

10.4122

0.0004

90

null

90

null

90

null

146.351

0.017

292

null

292

null

4

I 4/m m m

-I 4 2

139

- C B2 Gd Rh2 -

- C B2 Gd Rh1.868 -

- C2 B4 Gd2 Rh3.736 -

2

0.0625

BR1145

Ye, J.; Shishido, T.; Kimura, T.; Matsumoto, T.; Fukuda, T.

A New Quaternary Borocarbide, GdRh~2~B~2~C

Acta Crystallographica Section C

1,996

52

11

2652

2655

10.1107/S010827019600724X

0.7107

MoKα

null

0.025

null

0.023

null

1.45

null

has coordinates

Ye, J.; Shishido, T.; Kimura, T.; Matsumoto, T.; Fukuda, T. A New Quaternary Borocarbide, GdRh~2~B~2~C Acta Crystallographica Section C 52(11) (1996) 2652-2655

176,435

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/55/2005593.cif $ #-------------------------------------------------------------------...

2,005,594

10.259

0.006

6.94

0.004

12.175

0.007

90

null

106.764

0.007

90

null

830

0.8

293

2

293

2

null

4

P 1 21/c 1

-P 2ybc

14

Dipotassium diberyllium trisilicate

- Be2 K2 O9 Si3 -

- Be8 K8 O36 Si12 -

4

1

BR1147

Bu, X.; Gier, T. E.; Stucky, G. D.

K~2~Be~2~Si~3~O~9~, a Potassium Beryllium Silicate Framework Built from Edge-Sharing Be–O Tetrahedra and Three-Ring Silicate Tetrahedra

Acta Crystallographica Section C

1,996

52

11

2662

2664

10.1107/S0108270196007378

0.7093

MolybdenumKα

0.0361

0.0329

null

0.099

0.0973

null

1.206

1.239

null

has coordinates

Bu, X.; Gier, T. E.; Stucky, G. D. K~2~Be~2~Si~3~O~9~, a Potassium Beryllium Silicate Framework Built from Edge-Sharing Be–O Tetrahedra and Three-Ring Silicate Tetrahedra Acta Crystallographica Section C 52(11) (1996) 2662-2664

301,791

2025-08-18

23:15:27

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2,005,595

9.2943

0.0011

11.6858

0.001

31.698

0.002

90

null

90

null

90

null

3,442.8

0.5

296

null

5

P b c a

-P 2ac 2ab

61

N-(2-Hydroxy-5-methylphenyl)salicylaldiminodiethylaminonickel(II)

- C18 H22 N2 Ni O2 -

- C144 H176 N16 Ni8 O16 -

8

1

CF1069

Ercan, F.; Sari, M.; Yaǧbasan, R.; Taştekin, M.; Aksu, L.

(Diethylamine-N){4-methyl-2-[(2-oxidobenzylidene)amino]phenolato(2–)-O,N,O'}nickel(II)

Acta Crystallographica Section C

1,996

52

11

2682

2684

10.1107/S010827019600964X

0.71073

MoKα

null

0.065

null

0.085

null

1.41

null

has coordinates

Ercan, F.; Sari, M.; Yaǧbasan, R.; Taştekin, M.; Aksu, L. (Diethylamine-N){4-methyl-2-[(2-oxidobenzylidene)amino]phenolato(2–)-O,N,O'}nickel(II) Acta Crystallographica Section C 52(11) (1996) 2682-2684

301,791

2025-08-18

23:15:27

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2,005,596

15.265

0.003

11.115

0.002

10.178

0.002

90

null

109.7

0.01

90

null

1,625.8

0.5

295

null

295

null

4

C 1 2/c 1

-C 2yc

15

Pt(2,9-dimethyl-1,10-phenantroline)(CN)~2~(ethylene)

- C18 H16 N4 Pt -

- C72 H64 N16 Pt4 -

4

0.5

CF1071

Tuzi, A.; Panunzi, B.

Dicyano(2,9-dimethyl-1,10-phenanthroline-N,N')(η^2^-ethene)platinum(II)

Acta Crystallographica Section C

1,996

52

11

2745

2747

10.1107/S0108270196009651

0.71073

MoKα

0.026

0.019

null

0.028

null

1.093

null

has coordinates

Tuzi, A.; Panunzi, B. Dicyano(2,9-dimethyl-1,10-phenanthroline-N,N')(η^2^-ethene)platinum(II) Acta Crystallographica Section C 52(11) (1996) 2745-2747

198,476

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-07-05 14:53:58 +0300 (Wed, 05 Jul 2017) $ #$Revision: 198476 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/55/2005596.cif $ #-------------------------------------------------------------------...

2,005,597

20.977

0.004

8.943

0.002

25.504

0.005

90

null

90

null

90

null

4,784.5

1.7

293

2

293

2

null

6

P b c a

-P 2ac 2ab

61

[2-thione-3(N)-[9'(2''-methoxy-6''-chloro)acridinyl]-5-[2'-(di ethylamino)ethylthio]]-1,3,4-thiadiazole

- C22 H23 Cl N4 O S3 -

- C176 H184 Cl8 N32 O8 S24 -

8

1

CF1083

Karolak-Wojciechowska, J.; Mrozek, A.; Amiel, P.; Brouant, P.; Barbe, J.

A Potential Antiprotozoal Drug Containing Acridine and Thiadiazole Moieties

Acta Crystallographica Section C

1,996

52

11

2939

2941

10.1107/S0108270196007135

1.54178

CuKα

0.0978

0.064

null

0.209

0.1745

null

1.043

1.075

null

has coordinates

Karolak-Wojciechowska, J.; Mrozek, A.; Amiel, P.; Brouant, P.; Barbe, J. A Potential Antiprotozoal Drug Containing Acridine and Thiadiazole Moieties Acta Crystallographica Section C 52(11) (1996) 2939-2941

301,791

2025-08-18

23:15:27

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2,005,598

4.634

0.001

13.069

0.004

15.832

0.005

90

null

90

null

90

null

958.8

0.5

293

null

5

P 21 21 21

P 2ac 2ab

19

- C6 H9 N3 O S2 -

- C24 H36 N12 O4 S8 -

4

1

CF1085

Pomes Hernandez, R.; Gómez González, A.; Rosado Pérez, A.; Nápoles Frías, B. M.; Toscano, R. A.; Quincoces Suárez, J.

N'-[Bis(methylthio)methylene]cyanoacetohydrazide

Acta Crystallographica Section C

1,996

52

11

2941

2942

10.1107/S0108270196007147

1.54184

CuKα

null

0.039

null

0.05

null

1.13

null

has coordinates

Pomes Hernandez, R.; Gómez González, A.; Rosado Pérez, A.; Nápoles Frías, B. M.; Toscano, R. A.; Quincoces Suárez, J. N'-[Bis(methylthio)methylene]cyanoacetohydrazide Acta Crystallographica Section C 52(11) (1996) 2941-2942

301,791

2025-08-18

23:15:27

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/55/2005598.cif $ #-------------------------------------------------------------------...

2,005,599

7.611

0.003

20.972

0.01

10.312

0.004

90

null

99.93

null

90

null

1,621.3

1.2

293

2

293

2

null

4

P 1 21/n 1

-P 2yn

14

2-(p-diethylaminophenyl)-1,3-indandione

- C20 H19 N O2 -

- C80 H76 N4 O8 -

4

1

CF1092

Khodorkovsky, V.; Mazor, R. A.; Ellern, A.

2-(p-Diethylaminobenzylidene)-1,3-indandione

Acta Crystallographica Section C

1,996

52

11

2878

2880

10.1107/S0108270196007457

0.71073

MoKα

0.1241

0.074

null

0.2751

0.1898

null

1.033

1.103

null

has coordinates

Khodorkovsky, V.; Mazor, R. A.; Ellern, A. 2-(p-Diethylaminobenzylidene)-1,3-indandione Acta Crystallographica Section C 52(11) (1996) 2878-2880

301,791

2025-08-18

23:15:27

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/55/2005599.cif $ #-------------------------------------------------------------------...

2,005,600

7.032

0.001

10.667

0.002

11.879

0.002

102.4

0.03

102.92

0.03

95.16

0.03

839.3

0.3

293

null

293

null

4

P -1

-P 1

2

4-(N-benzoxy)imino-3,3-dihydro-2,2-dimethyl-6-nitro-2H-1-benzopyran

- C18 H16 N2 O5 -

- C36 H32 N4 O10 -

2

1

CF1093

Yang, Q.-C.; Li, H.-M.; Tang, Y.-Q.; Huang, W.-L.

2,2-Dimethyl-6-nitro-3,4-dihydro-2H-benzo[b]pyran-4-one O-Benzoyloxime

Acta Crystallographica Section C

1,996

52

11

2920

2922

10.1107/S0108270196008475

0.71073

MolybdenumKα

0.1234

0.0486

null

0.0556

null

1.6

null

has coordinates

Yang, Q.-C.; Li, H.-M.; Tang, Y.-Q.; Huang, W.-L. 2,2-Dimethyl-6-nitro-3,4-dihydro-2H-benzo[b]pyran-4-one O-Benzoyloxime Acta Crystallographica Section C 52(11) (1996) 2920-2922

301,791

2025-08-18

23:15:27

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/56/2005600.cif $ #-------------------------------------------------------------------...

2,005,601

10.362

0.002

14.463

0.002

15.209

0.002

90

null

90

null

90

null

2,279.3

0.6

293

2

293

2

null

5

P 21 21 21

P 2ac 2ab

19

- C18 H34 Cl2 N2 O8 -

- C72 H136 Cl8 N8 O32 -

4

1

CF1098

Wolska, I.; Borowiak, T.; Boczoń, Wł.

17β-Isopropylsparteine and 17β-Isopropyllupanine Perchlorates

Acta Crystallographica Section C

1,996

52

11

2822

2826

10.1107/S0108270196008499

0.71073

MoKα

0.1315

0.0653

null

0.1837

0.1534

null

1.069

1.215

null

has coordinates

Wolska, I.; Borowiak, T.; Boczoń, Wł. 17β-Isopropylsparteine and 17β-Isopropyllupanine Perchlorates Acta Crystallographica Section C 52(11) (1996) 2822-2826

301,791

2025-08-18

23:15:27

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/56/2005601.cif $ #-------------------------------------------------------------------...

2,005,602

8.262

0.002

13.774

0.004

8.915

0.002

90

null

92.49

0.02

90

null

1,013.6

0.4

293

2

293

2

null

5

P 1 21 1

P 2yb

4

- C18 H33 Cl N2 O6 -

- C36 H66 Cl2 N4 O12 -

2

1

CF1098

Wolska, I.; Borowiak, T.; Boczoń, Wł.

17β-Isopropylsparteine and 17β-Isopropyllupanine Perchlorates

Acta Crystallographica Section C

1,996

52

11

2822

2826

10.1107/S0108270196008499

0.71073

MoKα

0.0871

0.0357

null

0.1371

0.0998

null

1.125

1.02

null

has coordinates

Wolska, I.; Borowiak, T.; Boczoń, Wł. 17β-Isopropylsparteine and 17β-Isopropyllupanine Perchlorates Acta Crystallographica Section C 52(11) (1996) 2822-2826

301,791

2025-08-18

23:15:27

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/56/2005602.cif $ #-------------------------------------------------------------------...

2,005,603

6.728

0.002

7.94

0.007

25.085

0.009

90

null

90

null

90

null

1,340

1.3

150

2

150

2

null

4

P 21 21 21

P 2ac 2ab

19

2-[1-[(4,5-dimethyl-2-aminophenyl)imino]ethyl]phenol

- C16 H18 N2 O -

- C64 H72 N8 O4 -

4

1

CF1102

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

2-{1-[(2-Amino-4,5-dimethylphenyl)imino]ethyl}phenol

Acta Crystallographica Section C

1,996

52

11

2777

2779

10.1107/S0108270196007159

0.71073

MoKα

0.051

0.0382

null

0.1122

0.0831

null

1.058

1.127

null

has coordinates

Corden, J. P.; Bishop, P. R.; Errington, W.; Wallbridge, M. G. H. 2-{1-[(2-Amino-4,5-dimethylphenyl)imino]ethyl}phenol Acta Crystallographica Section C 52(11) (1996) 2777-2779

301,791

2025-08-18

23:15:27

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/56/2005603.cif $ #-------------------------------------------------------------------...

2,005,604

13.63

0.005

10.897

0.004

14.546

0.004

90

null

90.08

0.03

90

null

2,160.5

1.3

220

2

220

2

null

3

P 1 21/n 1

-P 2yn

14

8,3'-methylene[7-acetoxy-4-methyl-2H-1-benzopyran-2-one] [4''-methyl-2''H- 1''-pyran-2''-one(5',6':6'',5'')-2'H-1'-benzopyran-2'-one]

- C26 H18 O8 -

- C104 H72 O32 -

4

1

CF1115

Jain, S. C.; Talwar, S.; Kumar, R.; Babu, B. R.; Errington, W.

The Acetyl Derivative of a Novel Fries Rearrangement Product

Acta Crystallographica Section C

1,996

52

11

2775

2777

10.1107/S0108270196008487

0.71073

MoKα

0.0952

0.0475

null

0.1172

0.0954

null

1.021

1.101

null

has coordinates

Jain, S. C.; Talwar, S.; Kumar, R.; Babu, B. R.; Errington, W. The Acetyl Derivative of a Novel Fries Rearrangement Product Acta Crystallographica Section C 52(11) (1996) 2775-2777

301,791

2025-08-18

23:15:27

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/56/2005604.cif $ #-------------------------------------------------------------------...

2,005,605

10.432

0.002

15.737

0.003

15.406

0.003

90

null

96.57

0.02

90

null

2,512.6

0.8

293

2

293

2

null

5

P 1 21/n 1

-P 2yn

14

- C18 H38 B9 P S -

- C72 H152 B36 P4 S4 -

4

1

CF1127

Rosair, G. M.; Welch, A. J.; Weller, A. S.

9-Dicyclohexylphenylphosphino-arachno-6-thiadecaborane(11)

Acta Crystallographica Section C

1,996

52

11

2851

2853

10.1107/S0108270196008244

0.71073

MoKα

0.1839

0.0694

null

0.188

0.1316

null

0.995

1.105

null

has coordinates

Rosair, G. M.; Welch, A. J.; Weller, A. S. 9-Dicyclohexylphenylphosphino-arachno-6-thiadecaborane(11) Acta Crystallographica Section C 52(11) (1996) 2851-2853

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/2/00/56/2005605.cif $ #-------------------------------------------------------------------...

4,322,151

11.156

0.003

20.768

0.003

13.065

0.003

90

null

114.97

0.02

90

null

2,744.1

1.1

20

null

20

null

6

P 1 21/c 1

-P 2ybc

14

- C27 H30 Cl Cu N7 O4 -

- C108 H120 Cl4 Cu4 N28 O16 -

null

Yoshiki Shii; Yuri Motoda; Toshihiro Matsuo; Fumiaki Kai; Toshio Nakashima; Jean-Pierre Tuchagues; Naohide Matsumoto

Deprotonation-Induced Enantioselective Aggregation and Deprotonation-Induced Ligand Rearrangement of Copper(II) Complexes Yield 1D Homochiral and Heterochiral Chains and a Cyclic Tetramer, Respectively

Inorganic Chemistry

1,999

38

3513

3522

10.1021/ic9813260

0.7107

MoKalpha

null

0.069

null

0.05

null

3.65

null

has coordinates

Yoshiki Shii; Yuri Motoda; Toshihiro Matsuo; Fumiaki Kai; Toshio Nakashima; Jean-Pierre Tuchagues; Naohide Matsumoto Deprotonation-Induced Enantioselective Aggregation and Deprotonation-Induced Ligand Rearrangement of Copper(II) Complexes Yield 1D Homochiral and Heterochiral Chains and a Cyclic Tetramer, Respectively I...

301,838

2025-08-20

22:17:36

#------------------------------------------------------------------------------ #$Date: 2025-08-21 01:01:10 +0300 (Thu, 21 Aug 2025) $ #$Revision: 301838 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/21/4322151.cif $ #-------------------------------------------------------------------...

2,005,606

10.933

0.002

6.4597

0.0014

5.6849

0.0009

90

null

90

null

90

null

401.49

0.13

150

0.2

150

2

null

3

P n m a

-P 2ac 2n

62

1-Methyl-1,3,4-triazole

- C3 H5 N3 -

- C12 H20 N12 -

4

0.5

CF1129

Palmer, M. H.; Parsons, S.

4-Methyl-1,2,4-triazole and 1-Methyltetrazole

Acta Crystallographica Section C

1,996

52

11

2818

2822

10.1107/S0108270196008232

1.54184

CuKα

0.0358

0.0352

null

0.0904

0.0896

null

1.124

1.138

null

has coordinates

Palmer, M. H.; Parsons, S. 4-Methyl-1,2,4-triazole and 1-Methyltetrazole Acta Crystallographica Section C 52(11) (1996) 2818-2822

301,791

2025-08-18

23:15:27

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/56/2005606.cif $ #-------------------------------------------------------------------...

2,005,607

5.578

0.002

6.324

0.002

10.799

0.006

90

null

90

null

90

null

380.9

0.3

150

0.2

150

0.2

null

3

P n m a

-P 2ac 2n

62

1-Methyltetrazole

- C2 H4 N4 -

- C8 H16 N16 -

4

0.5

CF1129

Palmer, M. H.; Parsons, S.

4-Methyl-1,2,4-triazole and 1-Methyltetrazole

Acta Crystallographica Section C

1,996

52

11

2818

2822

10.1107/S0108270196008232

1.54184

CuKα

0.036

0.0353

null

0.0825

0.0817

null

1.138

1.152

null

has coordinates

Palmer, M. H.; Parsons, S. 4-Methyl-1,2,4-triazole and 1-Methyltetrazole Acta Crystallographica Section C 52(11) (1996) 2818-2822

301,791

2025-08-18

23:15:27

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2,005,608

10.752

0.001

8.711

0.002

16.646

0.001

90

null

94.4

0.1

90

null

1,554.5

0.4

293

null

3

P 1 21/c 1

-P 2ybc

14

- C18 H16 O7 -

- C72 H64 O28 -

4

1

DE1027

Lakshmi, S.; Kumar, S.; Senthilselvan, J.; Subramanian, K.

Dalspinosin

Acta Crystallographica Section C

1,996

52

11

2873

2875

10.1107/S0108270196007652

0.71073

MoKα

null

0.0399

null

0.0998

null

1.048

null

has coordinates

Lakshmi, S.; Kumar, S.; Senthilselvan, J.; Subramanian, K. Dalspinosin Acta Crystallographica Section C 52(11) (1996) 2873-2875

301,791

2025-08-18

23:15:27

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2,005,609

5.184

0.001

15.569

0.002

10.053

0.0015

90

null

93.64

0.02

90

null

809.7

0.2

293

2

293

2

null

4

P 1 21/n 1

-P 2yn

14

1-hydroxy-2,1λ^5^-benzoxarsol-3-one monohydrate

- C7 H7 As O4 -

- C28 H28 As4 O16 -

4

1

DE1033

Hundal, M. S.; Hundal, G.; Parmar, S. S.

1-Hydroxy-2,1λ^5^-benzoxarsol-3-one Monohydrate

Acta Crystallographica Section C

1,996

52

11

2726

2728

10.1107/S0108270196007640

0.71073

MoKα

0.0807

0.0442

null

0.1037

0.0901

null

1.001

1.077

null

has coordinates

Hundal, M. S.; Hundal, G.; Parmar, S. S. 1-Hydroxy-2,1λ^5^-benzoxarsol-3-one Monohydrate Acta Crystallographica Section C 52(11) (1996) 2726-2728

301,791

2025-08-18

23:15:27

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2,005,610

9.8597

0.0008

11.522

0.002

9.333

0.001

92.19

0.01

115.18

0.008

75.94

0.01

928.2

0.2

293

2

293

2

null

5

P -1

-P 1

2

Bis(o-phénylèneamineammonium) Bis(o-phénylènediammonium) cyclo-Hexaphosphate Dihydrate

- C24 H42 N8 O20 P6 -

1

0.5

DU1132

Soumhi, E. H.; Jouini, T.

Bis(o-aminophénylammonium) Bis(o-phénylènediammonium) cyclo-Hexaphosphate Dihydrate

Acta Crystallographica Section C

1,996

52

11

2802

2805

10.1107/S0108270196003770

0.71069

MoKα

0.0356

0.0295

null

0.0806

0.0771

null

1.082

1.108

null

has coordinates

Soumhi, E. H.; Jouini, T. Bis(o-aminophénylammonium) Bis(o-phénylènediammonium) cyclo-Hexaphosphate Dihydrate Acta Crystallographica Section C 52(11) (1996) 2802-2805

301,791

2025-08-18

23:15:27

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2,005,611

10.8997

0.0007

10.8997

0.0007

42.817

0.004

90

null

90

null

90

null

5,086.8

0.7

293

2

293

2

null

4

I 41/a c d :2

-I 4bd 2c

142

Beryllium tetrahydrogenorthoperiodate tetrahydrate

- Be H16 I2 O16 -

- Be16 H256 I32 O256 -

16

0.5

DU1154

Zhang, Z.; Lutz, H. D.; Georgiev, M.; Maneva, M.

The First Beryllium Periodate: Be(H~4~IO~6~)~2~.4H~2~O

Acta Crystallographica Section C

1,996

52

11

2660

2662

10.1107/S0108270196006762

0.7107

MoKα

0.0331

0.0286

null

0.087

0.0844

null

1.344

1.379

null

has coordinates

Zhang, Z.; Lutz, H. D.; Georgiev, M.; Maneva, M. The First Beryllium Periodate: Be(H~4~IO~6~)~2~.4H~2~O Acta Crystallographica Section C 52(11) (1996) 2660-2662

301,791

2025-08-18

23:15:27

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2,005,612

8.6233

0.0006

8.6233

0.0006

5.6384

0.0007

90

null

90

null

90

null

419.28

0.08

294

null

5

P 4 b m

P 4 -2ab

100

- H8 N2 O8 P V2 -

- N2 O8 P2 V3 -

- N4 O16 P4 V6 -

2

0.25

(NH~4~)~2~(VO)(VP)O~7~ , a Layered Structure Comprising Tetrahedral VPO~7~ Groups

Acta Crystallographica C

1,996

52

2668

2670

null

has coordinates

(NH~4~)~2~(VO)(VP)O~7~ , a Layered Structure Comprising Tetrahedral VPO~7~ Groups Acta Crystallographica C 52 (1996) 2668-2670

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/2/00/56/2005612.cif $ #-------------------------------------------------------------------...

2,005,613

6.328

0.001

13.208

0.002

20.069

0.005

90

null

90

null

90

null

1,677.4

0.6

293

2

293

2

null

3

P 21 21 21

P 2ac 2ab

19

3β,4α-dihydroxy-5β-androstan-17-one

- C19 H30 O3 -

- C76 H120 O12 -

4

1

FG1119

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

3β,4α-Dihydroxy-5β-androstan-17-one

Acta Crystallographica Section C

1,996

52

11

2892

2894

10.1107/S0108270196008839

0.71073

MoKα

0.1287

0.0424

null

0.1204

0.0883

null

1.004

1.065

null

has coordinates

Ramos Silva, M.; Paixão, J. A.; de Almeida, M.-J. M.; Tavares da Silva, E. J.; Sá e Melo, M. L.; Campos Neves, A. S. 3β,4α-Dihydroxy-5β-androstan-17-one Acta Crystallographica Section C 52(11) (1996) 2892-2894

301,791

2025-08-18

23:15:27

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2,005,614

24.856

0.005

22.041

0.005

7.921

0.003

90

null

90

null

90

null

4,340

2

293

null

293

null

3

P c c n

-P 2ab 2ac

56

cis-4,5-Dihydroxy-2,3,4,5-tetraphenylcyclopent-2-en-1-one

- C29 H22 O3 -

- C232 H176 O24 -

8

1

FG1122

Jedrzejas, M. J.; Rubin, M. D.; Baker, R. J.; Masnovi, J.; Towns, R. L. R.

cis-4,5-Dihydroxy-2,3,4,5-tetraphenylcyclopent-2-enone

Acta Crystallographica Section C

1,996

52

11

2936

2939

10.1107/S0108270196006944

0.7093

MoKα

0.081

null

0.058

null

0.99

null

has coordinates

Jedrzejas, M. J.; Rubin, M. D.; Baker, R. J.; Masnovi, J.; Towns, R. L. R. cis-4,5-Dihydroxy-2,3,4,5-tetraphenylcyclopent-2-enone Acta Crystallographica Section C 52(11) (1996) 2936-2939

301,791

2025-08-18

23:15:27

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2,005,615

13.102

0.002

7.077

0.002

16.233

0.002

90

null

109.31

0.02

90

null

1,420.5

0.5

293

2

null

5

P 1 21/c 1

-P 2ybc

14

- C17 H13 F N2 O2 -

- C68 H52 F4 N8 O8 -

4

1

FG1146

De Simone, C. A.; Pereira, M. A.; Luu-Duc, C.; Pitta, I. R.; Galdino, S. L.; Menezes, E. H. C.; Zukerman-Schpector, J.

3-Benzyl-5-(2-fluorobenzylidene)imidazolidine-2,4-dione

Acta Crystallographica Section C

1,996

52

11

2771

2772

10.1107/S0108270196007317

0.71073

MoKα

0.0845

0.0562

null

0.1689

0.1387

null

1.114

1.11

null

has coordinates

De Simone, C. A.; Pereira, M. A.; Luu-Duc, C.; Pitta, I. R.; Galdino, S. L.; Menezes, E. H. C.; Zukerman-Schpector, J. 3-Benzyl-5-(2-fluorobenzylidene)imidazolidine-2,4-dione Acta Crystallographica Section C 52(11) (1996) 2771-2772

301,791

2025-08-18

23:15:27

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2,005,616

14.505

0.002

10.792

0.001

18.496

0.002

90

null

98.81

0.01

90

null

2,861.2

0.6

296

null

296

null

5

P 1 21/n 1

-P 2yn

14

1,3,5-tris-{2-[(N,N-dimethylhydrazono)methyl]phenyl)}boroxin

- C27 H33 B3 N6 O3 -

- C108 H132 B12 N24 O12 -

4

1

FG1192

Robinson, P. D.; Groziak, M. P.; Yi, L.

A Triphenylboroxin Derivative Possessing Two Intramolecular Chelates

Acta Crystallographica Section C

1,996

52

11

2826

2830

10.1107/S010827019600697X

0.71069

MoKα

null

0.043

null

0.049

null

1.49

null

has coordinates

Robinson, P. D.; Groziak, M. P.; Yi, L. A Triphenylboroxin Derivative Possessing Two Intramolecular Chelates Acta Crystallographica Section C 52(11) (1996) 2826-2830

301,791

2025-08-18

23:15:27

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/56/2005616.cif $ #-------------------------------------------------------------------...

2,005,617

12.303

0.002

18.668

0.004

13.09

0.002

90

null

112.81

0.02

90

null

2,771.3

0.9

293

2

293

2

null

4

P 1 21 1

P 2yb

4

Methyl 3α-methacryloylamino-7α,12α-dihydroxy-5β-cholanoate

- C29 H47 N O5 -

- C116 H188 N4 O20 -

4

2

FG1198

Akram, M.; Denike, J. K.; Bélanger-Gariépy, F.; Zhu, X.-X.

Methyl 7α,12α-Dihydroxy-3α-methacryloylamino-5β-cholan-24-oate

Acta Crystallographica Section C

1,996

52

11

2905

2907

10.1107/S0108270196007809

1.54056

CopperKα

0.0471

0.0381

null

0.0896

0.0853

null

0.942

1.001

null

has coordinates,has disorder

Akram, M.; Denike, J. K.; Bélanger-Gariépy, F.; Zhu, X.-X. Methyl 7α,12α-Dihydroxy-3α-methacryloylamino-5β-cholan-24-oate Acta Crystallographica Section C 52(11) (1996) 2905-2907

301,791

2025-08-18

23:15:27

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/56/2005617.cif $ #-------------------------------------------------------------------...

2,005,618

11.628

0.003

6.804

0.002

20.778

0.005

90

null

96.12

0.03

90

null

1,634.5

0.8

143

2

143

2

null

4

P 1 21/c 1

-P 2ybc

14

α,α'-Bis(2-selenopyridine)-p-xylene

- C18 H16 N2 Se2 -

- C72 H64 N8 Se8 -

4

1

FG1204

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

α,α'-Bis(2-pyridylseleno)-p-xylene

Acta Crystallographica Section C

1,996

52

11

2847

2849

10.1107/S0108270196007536

0.71073

MoKα

0.0451

0.0313

null

0.085

0.0699

null

1.067

1.056

null

has coordinates

Kienitz, C. O.; Thöne, C.; Jones, P. G. α,α'-Bis(2-pyridylseleno)-p-xylene Acta Crystallographica Section C 52(11) (1996) 2847-2849

301,791

2025-08-18

23:15:27

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/56/2005618.cif $ #-------------------------------------------------------------------...

2,005,619

7.9286

0.0016

9.7444

0.0014

20.756

0.003

90

null

93.173

0.014

90

null

1,601.1

0.5

296

null

296

null

5

P 1 21/c 1

-P 2ybc

14

(SS*,1S*,2R*)-1-(Hydroxymethyl)-2-(p-toluenesulfinyl)ferrocene

- C18 H18 Fe O2 S -

- C72 H72 Fe4 O8 S4 -

4

1

FG1218

Robinson, P. D.; Hua, D. H.; Lagneau, N. M.; Chen, J.

(SS*,1S*,2R*)-1-(Hydroxymethyl)-2-(p-tolylsulfinyl)ferrocene

Acta Crystallographica Section C

1,996

52

11

2757

2760

10.1107/S0108270196010165

0.71069

MoKα

null

0.058

null

0.047

null

1.19

null

has coordinates

Robinson, P. D.; Hua, D. H.; Lagneau, N. M.; Chen, J. (SS*,1S*,2R*)-1-(Hydroxymethyl)-2-(p-tolylsulfinyl)ferrocene Acta Crystallographica Section C 52(11) (1996) 2757-2760

191,860

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-02-07 10:07:58 +0200 (Tue, 07 Feb 2017) $ #$Revision: 191860 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/56/2005619.cif $ #-------------------------------------------------------------------...

2,005,620

16.149

0.008

12.969

0.008

17.075

0.009

90

null

110.59

0.04

90

null

3,348

3

160

2

160

2

null

5

P 1 21/n 1

-P 2yn

14

S-(trans-3-methyloxiran-2-yl)-S-phenyl-N-(p-tolylsulfonyl)sulfoximide

- C16 H17 N O4 S2 -

- C128 H136 N8 O32 S16 -

8

2

FG1221

Clegg, W.; Elsegood, M. R. J.; Jackson, R. F. W.; Bailey, P. L.; Briggs, A. D.

A Sulfoximidooxirane

Acta Crystallographica Section C

1,996

52

11

2781

2783

10.1107/S0108270196010141

0.71073

MoKα

0.0812

0.0395

null

0.1242

0.0967

null

1.074

1.054

null

has coordinates

Clegg, W.; Elsegood, M. R. J.; Jackson, R. F. W.; Bailey, P. L.; Briggs, A. D. A Sulfoximidooxirane Acta Crystallographica Section C 52(11) (1996) 2781-2783

301,791

2025-08-18

23:15:27

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2,005,621

5.9653

0.0007

13.45

0.002

18.63

0.002

90

null

90

null

90

null

1,494.7

0.3

160

2

160

2

null

5

P 21 21 21

P 2ac 2ab

19

N-p-toluenesulfonylaziridine-(2S)-carboxylic acid tert-butyl ester

- C14 H19 N O4 S -

- C56 H76 N4 O16 S4 -

4

1

FG1222

Clegg, W.; Heath, S. L.; Horsburgh, L.; Jackson, R. F. W.; Wood, A.

A Sulfonyl-Substituted Aziridine

Acta Crystallographica Section C

1,996

52

11

2779

2781

10.1107/S0108270196010153

0.71073

MoKα

0.0272

0.026

null

0.0685

0.0674

null

1.062

null

has coordinates

Clegg, W.; Heath, S. L.; Horsburgh, L.; Jackson, R. F. W.; Wood, A. A Sulfonyl-Substituted Aziridine Acta Crystallographica Section C 52(11) (1996) 2779-2781

301,791

2025-08-18

23:15:27

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/56/2005621.cif $ #-------------------------------------------------------------------...

2,005,622

11.987

0.002

9.7183

0.0015

10.2177

0.0012

90

null

119.889

0.009

90

null

1,032

0.3

293

2

293

2

null

4

C 1 2/c 1

-C 2yc

15

1,1'-diacetyl-2,2'-biimidazole

- C10 H10 N4 O2 -

- C40 H40 N16 O8 -

4

0.5

HA1165

Secondo, P. M.; Hester, C. A.; Collier, H. L.; Baughman, R. G.; Cordes, A. W.

1,1'-Diacetyl-2,2'-biimidazole

Acta Crystallographica Section C

1,996

52

11

2882

2883

10.1107/S0108270196008001

0.71073

MoKα

0.0477

0.0388

null

0.1062

0.0998

null

1.058

1.1

null

has coordinates

Secondo, P. M.; Hester, C. A.; Collier, H. L.; Baughman, R. G.; Cordes, A. W. 1,1'-Diacetyl-2,2'-biimidazole Acta Crystallographica Section C 52(11) (1996) 2882-2883

301,791

2025-08-18

23:15:27

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/56/2005622.cif $ #-------------------------------------------------------------------...

2,005,623

4.3326

0.0012

7.966

0.003

26.889

0.017

90

null

90

null

90

null

928

0.7

293

2

293

2

null

3

F 2 d d

F -2d 2

43

2-Butyne-1,4-diol

- C4 H6 O2 -

- C32 H48 O16 -

8

0.5

HA1166

Steiner, Th.

2-Butyne-1,4-diol

Acta Crystallographica Section C

1,996

52

11

2885

2887

10.1107/S0108270196008207

1.54176

CuKα

0.0416

0.0321

null

0.1019

0.0879

null

1.074

1.076

null

has coordinates

Steiner, Th. 2-Butyne-1,4-diol Acta Crystallographica Section C 52(11) (1996) 2885-2887

301,791

2025-08-18

23:15:27

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/56/2005623.cif $ #-------------------------------------------------------------------...

2,005,624

7.795

0.004

15.347

0.002

19.245

0.002

90

null

99.53

0.04

90

null

2,270.5

1.3

298

3

null

6

P 1 21/c 1

-P 2ybc

14

- C14 H34 Cl2 Cu N4 O9 -

- C56 H136 Cl8 Cu4 N16 O36 -

4

1

HR1024

Tahirov, T. H.; Lu, T.-H.; Liao, F.-L.; Wang, S.-L.; Chen, B.-H.; Chi, T.-Y.; Chung, C.-S.

Aqua(1,5,8,12-tetramethyl-1,4,8,11-tetraazacyclotetradecane-N,N',N'',N''')copper(II) Diperchlorate

Acta Crystallographica Section C

1,996

52

11

2687

2689

10.1107/S0108270196007925

0.71073

MoKα

null

0.04

null

0.062

null

1.35

null

has coordinates

Tahirov, T. H.; Lu, T.-H.; Liao, F.-L.; Wang, S.-L.; Chen, B.-H.; Chi, T.-Y.; Chung, C.-S. Aqua(1,5,8,12-tetramethyl-1,4,8,11-tetraazacyclotetradecane-N,N',N'',N''')copper(II) Diperchlorate Acta Crystallographica Section C 52(11) (1996) 2687-2689

176,759

2020-10-21

18:00:00

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4,322,150

16.245

0.006

21.12

0.01

12.868

0.006

90

null

90

null

90

null

4,415

3

20

null

20

null

6

P b c a

-P 2ac 2ab

61

- C17 H26 Cl Cu N7 O4 -

- C136 H208 Cl8 Cu8 N56 O32 -

null

Yoshiki Shii; Yuri Motoda; Toshihiro Matsuo; Fumiaki Kai; Toshio Nakashima; Jean-Pierre Tuchagues; Naohide Matsumoto

Deprotonation-Induced Enantioselective Aggregation and Deprotonation-Induced Ligand Rearrangement of Copper(II) Complexes Yield 1D Homochiral and Heterochiral Chains and a Cyclic Tetramer, Respectively

Inorganic Chemistry

1,999

38

3513

3522

10.1021/ic9813260

0.7107

MoKalpha

null

0.052

null

0.029

null

1.72

null

has coordinates

Yoshiki Shii; Yuri Motoda; Toshihiro Matsuo; Fumiaki Kai; Toshio Nakashima; Jean-Pierre Tuchagues; Naohide Matsumoto Deprotonation-Induced Enantioselective Aggregation and Deprotonation-Induced Ligand Rearrangement of Copper(II) Complexes Yield 1D Homochiral and Heterochiral Chains and a Cyclic Tetramer, Respectively I...

301,838

2025-08-20

22:17:36

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2,005,625

12.169

0.002

13.576

0.001

14.919

0.001

90

null

90

null

90

null

2,464.7

0.5

298

3

null

5

P 21 21 21

P 2ac 2ab

19

- C19 H32 Co N7 S3 -

- C76 H128 Co4 N28 S12 -

4

1

HR1025

Lu, T.-H.; Tahirov, T. H.; Chen, B.-H.; Lai, C.-Y.; Chung, C.-S.

trans-(5,7,7,12,14,14-Hexamethyl-1,4,8,11-tetraazacyclotetradeca-4,11-diene-N,N',N'',N''')di(isothiocyanato-N)cobalt(III) Thiocyanate

Acta Crystallographica Section C

1,996

52

11

2684

2687

10.1107/S0108270196008724

0.71073

MoKα

null

0.051

null

0.055

null

1.52

null

has coordinates,has disorder

Lu, T.-H.; Tahirov, T. H.; Chen, B.-H.; Lai, C.-Y.; Chung, C.-S. trans-(5,7,7,12,14,14-Hexamethyl-1,4,8,11-tetraazacyclotetradeca-4,11-diene-N,N',N'',N''')di(isothiocyanato-N)cobalt(III) Thiocyanate Acta Crystallographica Section C 52(11) (1996) 2684-2687

301,791

2025-08-18

23:15:27

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2,005,626

9.166

0.002

35.341

0.004

10.101

0.003

90

null

110.65

0.01

90

null

3,061.8

1.2

293

null

5

P 1 21/n 1

-P 2yn

14

- C33 H24 Cl3 Co N6 -

- C132 H96 Cl12 Co4 N24 -

4

1

JZ1109

Castro, J. A.; Romero, J.; García-Vázquez, J. A.; Sousa, A.; Castiñeiras, A.

Tris{2-[(4-chlorophenyl)iminomethyl]pyrrolato-N,N'}cobalt(III)

Acta Crystallographica Section C

1,996

52

11

2734

2736

10.1107/S0108270196008785

0.71073

MoKα

null

0.052

null

0.059

null

2.92

null

has coordinates

Castro, J. A.; Romero, J.; García-Vázquez, J. A.; Sousa, A.; Castiñeiras, A. Tris{2-[(4-chlorophenyl)iminomethyl]pyrrolato-N,N'}cobalt(III) Acta Crystallographica Section C 52(11) (1996) 2734-2736

301,791

2025-08-18

23:15:27

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2,005,627

9.264

0.005

12.768

0.006

10.177

0.005

90

null

94.19

0.02

90

null

1,200.5

1

223

2

223

2

null

4

P 1 21/n 1

-P 2yn

14

- C4 Fe O10 P4 -

- C16 Fe4 O40 P16 -

4

1

JZ1123

Jansen, M.; Clade, J.

Tetracarbonyl(tetraphosphorus hexaoxide)iron

Acta Crystallographica Section C

1,996

52

11

2650

2652

10.1107/S0108270196004398

0.71073

MoKα

0.0422

0.0377

null

0.1046

0.0922

null

1.068

1.097

null

has coordinates

Jansen, M.; Clade, J. Tetracarbonyl(tetraphosphorus hexaoxide)iron Acta Crystallographica Section C 52(11) (1996) 2650-2652

176,759

2020-10-21

18:00:00

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2,005,628

12.474

0.002

6.3201

0.0008

12.418

0.003

90

null

94.93

0.03

90

null

975.4

0.3

193

1

193

1

null

4

P 1 2/n 1

-P 2yac

13

Bis(1,5-cyclooctadiene)di-μ-ethoxo-dirhodium(I)

- C20 H34 O2 Rh2 -

- C40 H68 O4 Rh4 -

2

0.5

JZ1129

Ramm, M.; Selent, D.

Bis[(1,2,5,6-η)-1,5-cyclooctadiene]-di-μ-ethoxo-dirhodium(I)

Acta Crystallographica Section C

1,996

52

11

2703

2705

10.1107/S0108270196007998

0.71073

MoKα

0.0357

0.0287

null

0.078

0.0752

null

1.071

1.123

null

has coordinates

Ramm, M.; Selent, D. Bis[(1,2,5,6-η)-1,5-cyclooctadiene]-di-μ-ethoxo-dirhodium(I) Acta Crystallographica Section C 52(11) (1996) 2703-2705

301,791

2025-08-18

23:15:27

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2,005,629

9.558

0.002

10.454

0.002

11.009

0.002

80.29

0.02

87.94

0.02

75.43

0.02

1,049.4

0.4

291

2

291

2

null

4

P -1

-P 1

2

(η^4^-1,3-butadiene)tricarbonyl-μ-hydrido(μ-η^1:5^-indene-1,1-diyl)- (η^5^indenyl)dimolybdenum

- C25 H20 Mo2 O3 -

- C50 H40 Mo4 O6 -

2

1

JZ1134

Kreiter, C. G.; Meuser, R.; Frank, W.; Müller-Becker, S.

Photochemical Reactions of Transition Metal Organyl Complexes with Olefins. 15. Tricarbonyl(η^4^-1,3-butadiene)-μ-hydrido-(μ-η^1:5^-indene-1,1-diyl)(η^5^-indenyl)-dimolybdenum(Mo—Mo)

Acta Crystallographica Section C

1,996

52

11

2701

2703

10.1107/S0108270196008165

0.71069

MoKα

0.0254

0.0221

null

0.0501

0.0495

null

1.875

1.927

null

has coordinates

Kreiter, C. G.; Meuser, R.; Frank, W.; Müller-Becker, S. Photochemical Reactions of Transition Metal Organyl Complexes with Olefins. 15. Tricarbonyl(η^4^-1,3-butadiene)-μ-hydrido-(μ-η^1:5^-indene-1,1-diyl)(η^5^-indenyl)-dimolybdenum(Mo—Mo) Acta Crystallographica Section C 52(11) (1996) 2701-2703

176,759

2020-10-21

18:00:00

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2,005,630

13.061

0.001

18.9771

0.0015

9.3473

0.0009

90

null

127.004

0.006

90

null

1,850.2

0.3

293

2

293

2

null

3

C 1 c 1

C -2yc

9

Chromium(III)-trimetaphosphate

- Cr O9 P3 -

- Cr12 O108 P36 -

12

3

JZ1135

Gruss, M.; Glaum, R.

Refinement of the Superstructure of C-Type Chromium(III) Tris(metaphosphate), Cr(PO~3~)~3~

Acta Crystallographica Section C

1,996

52

11

2647

2650

10.1107/S0108270196007056

0.71073

MoKα

0.0306

0.0208

null

0.0602

0.0572

null

1.093

1.129

null

has coordinates

Gruss, M.; Glaum, R. Refinement of the Superstructure of C-Type Chromium(III) Tris(metaphosphate), Cr(PO~3~)~3~ Acta Crystallographica Section C 52(11) (1996) 2647-2650

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/2/00/56/2005630.cif $ #-------------------------------------------------------------------...

2,005,631

9.7355

0.0019

8.8451

0.0018

16.594

0.003

90

null

99.91

0.03

90

null

1,407.6

0.5

150

2

150

2

null

4

P 1 21/n 1

-P 2yn

14

1,3-bis(2,6-diisopropylphenyl)-2,2,4,4- tetramethyl-1,3,diaza-2,4-disilacyclobutane

- C28 H46 N2 Si2 -

- C56 H92 N4 Si4 -

2

0.5

JZ1138

Shah, S. A. A.; Roesky, H. W.; Lubini, P.; Schmidt, H.-G.

1,3-Bis(2,6-diisopropylphenyl)-2,2,4,4-tetramethyl-1,3-diaza-2,4-disilacyclobutane

Acta Crystallographica Section C

1,996

52

11

2810

2811

10.1107/S0108270196006865

0.71073

MoKα

0.0367

0.0329

null

0.0897

0.0862

null

1.037

1.049

null

has coordinates

Shah, S. A. A.; Roesky, H. W.; Lubini, P.; Schmidt, H.-G. 1,3-Bis(2,6-diisopropylphenyl)-2,2,4,4-tetramethyl-1,3-diaza-2,4-disilacyclobutane Acta Crystallographica Section C 52(11) (1996) 2810-2811

301,791

2025-08-18

23:15:27

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4,322,149

8.997

0.003

14.117

0.004

25.162

0.004

90

null

95.52

0.02

90

null

3,181

1.5

296.2

null

296.2

null

5

P 1 21/c 1

-P 2ybc

14

- C32 H40 I N8 Na -

- C128 H160 I4 N32 Na4 -

4

1

Hiroshi Tsukube; Yoshihisa Mizutani; Satoshi Shinoda; Tsuyoshi Okazaki; Makoto Tadokoro; Kenzi Hori

Side Arm Effects on Cyclen-Alkali Metal Cation Complexation: Highly Selective and Three-Dimensional Encapsulation of Na+ Ion

Inorganic Chemistry

1,999

38

3506

3512

10.1021/ic980590q

0.7107

MoKα

0.0318

null

0.0587

null

1.667

null

has coordinates

Hiroshi Tsukube; Yoshihisa Mizutani; Satoshi Shinoda; Tsuyoshi Okazaki; Makoto Tadokoro; Kenzi Hori Side Arm Effects on Cyclen-Alkali Metal Cation Complexation: Highly Selective and Three-Dimensional Encapsulation of Na+ Ion Inorganic Chemistry 38 (1999) 3506-3512

301,838

2025-08-20

22:17:36

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2,005,632

6.5712

0.0006

12.9917

0.0006

6.9237

0.0003

90

null

102.133

0.006

90

null

577.88

0.07

153

2

153

2

null

4

P 1 21 1

P 2yb

4

Triammonium trimetaphosphimate monohydrate

Triammonium-tri-μ-imido-cyclotriphosphate monohydrate

- H17 N6 O7 P3 -

- H34 N12 O14 P6 -

2

1

JZ1139

Stock, N.; Schnick, W.

Triammonium Trimetaphosphimate Monohydrate

Acta Crystallographica Section C

1,996

52

11

2645

2647

10.1107/S0108270196006907

0.71073

MoKα

0.0173

0.0167

null

0.0447

0.0443

null

1.129

1.13

null

has coordinates

Stock, N.; Schnick, W. Triammonium Trimetaphosphimate Monohydrate Acta Crystallographica Section C 52(11) (1996) 2645-2647

301,791

2025-08-18

23:15:27

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2,005,633

9.425

0.001

10.904

0.003

20.034

0.007

90

null

90

null

90

null

2,058.9

0.9

293

null

293

null

5

P 21 21 21

P 2ac 2ab

19

(1S,5R,6R,8R,10R,12R)-5,8,15,15-Tetramethyl-6-phenyl-7,9-dioxa-3-thia- 4-azatetracyclo[10.2.1.0^1,10^.0^4,8^]pentadecane 3,3-Dioxide

- C21 H29 N O4 S -

- C84 H116 N4 O16 S4 -

4

1

JZ1144

Bolte, M.; Strahringer, C.

(1S,5R,6R,8R,10R,12R)-5,8,15,15-Tetramethyl-6-phenyl-7,9-dioxa-3-thia-4-azatetracyclo[10.2.1.0^1,10^.0^4,8^]pentadecane 3,3-Dioxide

Acta Crystallographica Section C

1,996

52

11

2805

2806

10.1107/S0108270196008840

1.5418

CuKα

0.0312

0.0307

null

0.0918

0.0909

null

0.991

0.99

null

has coordinates

Bolte, M.; Strahringer, C. (1S,5R,6R,8R,10R,12R)-5,8,15,15-Tetramethyl-6-phenyl-7,9-dioxa-3-thia-4-azatetracyclo[10.2.1.0^1,10^.0^4,8^]pentadecane 3,3-Dioxide Acta Crystallographica Section C 52(11) (1996) 2805-2806

301,791

2025-08-18

23:15:27

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2,005,634

10.79

0.001

10.79

0.001

30.688

0.003

90

0.009

90

0.009

90

0.009

3,572.8

0.6

293

2

293

2

null

4

P 41 21 2

P 4abw 2nw

92

Boc-Phe-Aminomalonaldehyde

6-benzyl-2,2-dimethyl-5,8-diaza-4,7-dioxo-9-formyl-10-hydroxy- 3-oxa-(9,10)-decen

- C17 H22 N2 O5 -

- C136 H176 N16 O40 -

8

1

KA1191

Sopková, J.; Císarová, I.; Arnold, Z.

Boc–Phe–Aminomalonaldehyde

Acta Crystallographica Section C

1,996

52

11

2903

2905

10.1107/S0108270196008025

0.71073

MoKα

0.0516

0.0347

null

0.0987

0.0851

null

1.033

1.017

null

has coordinates

Sopková, J.; Císarová, I.; Arnold, Z. Boc–Phe–Aminomalonaldehyde Acta Crystallographica Section C 52(11) (1996) 2903-2905

301,791

2025-08-18

23:15:27

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2,005,635

5.8303

0.0007

8.039

0.001

16.026

0.002

84.55

0.01

82.82

0.01

81.91

0.01

735.54

0.16

297

2

297

2

null

5

P -1

-P 1

2

- C16 H17 N O S -

- C32 H34 N2 O2 S2 -

2

1

KA1196

Hartung, J.; Svoboda, I.; Fuess, H.

Balancing Conjugational Stabilization and Torsional Strain. The Solid-State Structure of a 2-Thioalkyl-Substituted Pyridine N-Oxide

Acta Crystallographica Section C

1,996

52

11

2841

2844

10.1107/S0108270196007019

0.71069

MoKα

0.0663

0.0426

null

0.1257

0.1125

null

1.038

1.079

null

has coordinates

Hartung, J.; Svoboda, I.; Fuess, H. Balancing Conjugational Stabilization and Torsional Strain. The Solid-State Structure of a 2-Thioalkyl-Substituted Pyridine N-Oxide Acta Crystallographica Section C 52(11) (1996) 2841-2844

176,759

2020-10-21

18:00:00

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2,005,636

12.801

0.004

18.168

0.004

7.866

0.004

90

null

90

null

90

null

1,829.4

1.2

296

2

296

2

null

3

P 21 21 21

P 2ac 2ab

19

4-androsten-17beta-yl acetate-3-one

- C21 H30 O3 -

- C84 H120 O12 -

4

1

KA1197

Böcskei, Z.; Gérczei, T.; Bodor, A.; Schwartz, R.; Náray-Szabó, G.

Three Testosterone Derivatives

Acta Crystallographica Section C

1,996

52

11

2899

2903

10.1107/S0108270196006440

1.54178

CuKα

0.1942

0.0492

null

0.1746

0.114

null

1.079

1.302

null

has coordinates

Böcskei, Z.; Gérczei, T.; Bodor, A.; Schwartz, R.; Náray-Szabó, G. Three Testosterone Derivatives Acta Crystallographica Section C 52(11) (1996) 2899-2903

301,791

2025-08-18

23:15:27

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2,005,637

10.207

0.005

40.174

0.007

6.074

0.013

90

null

90

null

90

null

2,491

5

296

2

296

2

null

4

P 21 21 21

P 2ac 2ab

19

anti-4-androsten-17beta-yl acetate-3-Obenzyloxime

- C28 H37 N O3 -

- C112 H148 N4 O12 -

4

1

KA1197

Böcskei, Z.; Gérczei, T.; Bodor, A.; Schwartz, R.; Náray-Szabó, G.

Three Testosterone Derivatives

Acta Crystallographica Section C

1,996

52

11

2899

2903

10.1107/S0108270196006440

1.54178

CuKα

0.1965

0.052

null

0.2097

0.1219

null

1.075

1.238

null

has coordinates

Böcskei, Z.; Gérczei, T.; Bodor, A.; Schwartz, R.; Náray-Szabó, G. Three Testosterone Derivatives Acta Crystallographica Section C 52(11) (1996) 2899-2903

301,791

2025-08-18

23:15:27

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/56/2005637.cif $ #-------------------------------------------------------------------...

2,005,638

13.507

0.003

6.117

0.005

15.25

0.003

90

null

92.582

0.015

90

null

1,258.7

1.1

296

2

296

2

null

4

P 1 21 1

P 2yb

4

syn-4-androsten-17beta-yl acetate-3-O-benzyloxyme

- C28 H37 N O3 -

- C56 H74 N2 O6 -

2

1

KA1197

Böcskei, Z.; Gérczei, T.; Bodor, A.; Schwartz, R.; Náray-Szabó, G.

Three Testosterone Derivatives

Acta Crystallographica Section C

1,996

52

11

2899

2903

10.1107/S0108270196006440

1.54178

CuKα

0.1226

0.0476

null

0.1629

0.1157

null

1.072

1.132

null

has coordinates

Böcskei, Z.; Gérczei, T.; Bodor, A.; Schwartz, R.; Náray-Szabó, G. Three Testosterone Derivatives Acta Crystallographica Section C 52(11) (1996) 2899-2903

301,791

2025-08-18

23:15:27

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