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

2,008,980

10.375

0.002

13.3

0.002

10.314

0.001

106.18

0.01

94.4

0.01

71.86

0.01

1,298.8

0.4

297

null

297.2

null

5

P -1

-P 1

2

[N,N'-bis(5-methoxysalicylidene)-1,2-diphenyl-1,2-ethenediamine]oxovanadium

- C30 H24 N2 O5 V -

- C60 H48 N4 O10 V2 -

2

1

TA1233

Hoshina, Gakuse; Ohba, Shigeru; Tsuchimoto, Masanobu

[N,N'-Bis(5-methoxysalicylidene)-1,2-diphenyl-1,2-ethenediamine]oxovanadium(IV)

Acta Crystallographica Section C

1,999

55

9

1451

1453

10.1107/S0108270199006551

0.71073

MoKα

null

0.053

null

0.071

null

1.1

null

has coordinates

Hoshina, Gakuse; Ohba, Shigeru; Tsuchimoto, Masanobu [N,N'-Bis(5-methoxysalicylidene)-1,2-diphenyl-1,2-ethenediamine]oxovanadium(IV) Acta Crystallographica Section C 55(9) (1999) 1451-1453

301,791

2025-08-18

23:15:33

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2,008,981

7.292

0.002

14.454

0.004

9.643

0.003

90

null

96.673

0.003

90

null

1,009.5

0.5

158

2

158

2

null

5

P 1 21/c 1

-P 2ybc

14

- C3 H12 Cl2 N2 O8 -

- C12 H48 Cl8 N8 O32 -

4

1

TA1239

Brooker, Sally; de Geest, Duncan J.

Propane-1,3-diammonium diperchlorate

Acta Crystallographica Section C

1,999

55

9

1589

1591

10.1107/S0108270199007246

0.71073

MoKα

0.037

0.032

null

0.082

null

1.027

null

has coordinates,has Fobs

Brooker, Sally; de Geest, Duncan J. Propane-1,3-diammonium diperchlorate Acta Crystallographica Section C 55(9) (1999) 1589-1591

301,791

2025-08-18

23:15:33

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2,008,982

7.7051

0.0002

14.8671

0.0003

22.2079

0.0005

90

null

90

null

90

null

2,543.97

0.1

203

2

203

2

null

5

P 21 21 21

P 2ac 2ab

19

Tricarbonyl{(R)-methyl 2,3-di-O-methyl-4,6-O-[(1S,3R)-(η^6^-3-trimethylsilyl phenyl)methylene]-α-D-glucopyranoside}chromium(0).

- C22 H30 Cr O9 Si -

- C88 H120 Cr4 O36 Si4 -

4

1

TA1240

Rickard, Clifton E. F.; Singh, Yogendra; Woodgate, Paul D.; Zhao, Zhongde

Tricarbonylchromium complexes of four methyl 4,6-O-[(η^6^-phenyl)alkylidene]-α-D-glucopyranosides

Acta Crystallographica Section C

1,999

55

9

1475

1479

10.1107/S0108270199007313

0.71073

MoKα

0.063

0.044

null

0.091

null

1.095

null

has coordinates

Rickard, Clifton E. F.; Singh, Yogendra; Woodgate, Paul D.; Zhao, Zhongde Tricarbonylchromium complexes of four methyl 4,6-O-[(η^6^-phenyl)alkylidene]-α-D-glucopyranosides Acta Crystallographica Section C 55(9) (1999) 1475-1479

176,759

2020-10-21

18:00:00

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2,008,983

11.7885

0.0002

14.5002

0.0003

15.3639

0.0002

90

null

90

null

90

null

2,626.24

0.08

203

2

203

2

null

5

P 21 21 21

P 2ac 2ab

19

Tricarbonyl{(R)-methyl 2,3-di-O-methyl-4,6-O-[(1S,2R)-(η^6^-2-trimethylsilyl phenyl)methylene]-α-D-glucopyranoside}chromium(0).

- C22 H30 Cr O9 Si -

- C88 H120 Cr4 O36 Si4 -

4

1

TA1240

Rickard, Clifton E. F.; Singh, Yogendra; Woodgate, Paul D.; Zhao, Zhongde

Tricarbonylchromium complexes of four methyl 4,6-O-[(η^6^-phenyl)alkylidene]-α-D-glucopyranosides

Acta Crystallographica Section C

1,999

55

9

1475

1479

10.1107/S0108270199007313

0.71073

MoKα

0.041

0.036

null

0.093

null

1.026

null

has coordinates

Rickard, Clifton E. F.; Singh, Yogendra; Woodgate, Paul D.; Zhao, Zhongde Tricarbonylchromium complexes of four methyl 4,6-O-[(η^6^-phenyl)alkylidene]-α-D-glucopyranosides Acta Crystallographica Section C 55(9) (1999) 1475-1479

176,759

2020-10-21

18:00:00

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7,106,460

18.4348

0.001

13.7677

0.0006

28.5655

0.0017

90

null

90

null

90

null

7,250.1

0.7

100

2

100

2

null

6

P c a 21

P 2c -2ac

29

- C86 H92 Cu2 N4 O S2 -

- C344 H368 Cu8 N16 O4 S8 -

4

1

Peter Haack; Christian Limberg; Thomas Tietz; Ramona Metzinger

Unprecedented Binding of CS2 in a Dinuclear Copper(I) Complex

Chem.Commun.

2,011

47

6374

10.1039/c1cc11518a

0.71073

MoKα

0.0729

0.0528

null

0.1206

0.1295

null

0.886

null

has coordinates,has disorder

Peter Haack; Christian Limberg; Thomas Tietz; Ramona Metzinger Unprecedented Binding of CS2 in a Dinuclear Copper(I) Complex Chem.Commun. 47 (2011) 6374

180,168

2020-10-21

18:00:00

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2,008,984

7.7593

0.0001

27.9746

0.0003

10.2064

0.0001

90

null

101.65

null

90

null

2,169.8

0.04

203

2

203

2

null

4

P 1 21 1

P 2yb

4

Tricarbonyl{(R)-methyl 2,3-O-(1-methylethylidene)-4,6-O-[(η^6^- phenyl)methylene]-α-D-glucopyranoside}chromium(0).

- C20 H22 Cr O9 -

- C80 H88 Cr4 O36 -

4

2

TA1240

Rickard, Clifton E. F.; Singh, Yogendra; Woodgate, Paul D.; Zhao, Zhongde

Tricarbonylchromium complexes of four methyl 4,6-O-[(η^6^-phenyl)alkylidene]-α-D-glucopyranosides

Acta Crystallographica Section C

1,999

55

9

1475

1479

10.1107/S0108270199007313

0.71073

MoKα

0.041

0.035

null

0.084

null

1.035

null

has coordinates

Rickard, Clifton E. F.; Singh, Yogendra; Woodgate, Paul D.; Zhao, Zhongde Tricarbonylchromium complexes of four methyl 4,6-O-[(η^6^-phenyl)alkylidene]-α-D-glucopyranosides Acta Crystallographica Section C 55(9) (1999) 1475-1479

176,759

2020-10-21

18:00:00

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2,008,985

7.6488

0.0001

13.3096

0.0003

11.1206

0.0002

90

null

100.08

null

90

null

1,114.63

0.04

203

2

203

2

null

4

P 1 21 1

P 2yb

4

Tricarbonyl{(S)-methyl 2,3-di-O-methyl-4,6-O-[(η^6^- 1-phenyl)ethylene]-α-D-glucopyranoside}chromium(0).

- C20 H24 Cr O9 -

- C40 H48 Cr2 O18 -

2

1

TA1240

Rickard, Clifton E. F.; Singh, Yogendra; Woodgate, Paul D.; Zhao, Zhongde

Tricarbonylchromium complexes of four methyl 4,6-O-[(η^6^-phenyl)alkylidene]-α-D-glucopyranosides

Acta Crystallographica Section C

1,999

55

9

1475

1479

10.1107/S0108270199007313

0.71073

MoKα

0.033

0.031

null

0.087

null

1.059

null

has coordinates

Rickard, Clifton E. F.; Singh, Yogendra; Woodgate, Paul D.; Zhao, Zhongde Tricarbonylchromium complexes of four methyl 4,6-O-[(η^6^-phenyl)alkylidene]-α-D-glucopyranosides Acta Crystallographica Section C 55(9) (1999) 1475-1479

176,759

2020-10-21

18:00:00

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2,008,986

4.783

0.0001

7.5624

0.0002

8.569

0.0002

108.231

0.001

97.384

0.001

105.236

0.001

276.431

0.012

295

null

5

P -1

-P 1

2

barium gallium hydrogen diphosphate (2/1/1/2)

- Ba2 Ga H O14 P4 -

1

0.5

TA1242

Kuei-Fang Hsu; Sue-Lein Wang

Ba~2~GaH(P~2~O~7~)~2~

Acta Crystallographica Section C

1,999

55

9

1400

1401

10.1107/S0108270199007568

0.71073

MoKα

null

0.018

null

0.047

null

1.14

null

has coordinates

Kuei-Fang Hsu; Sue-Lein Wang Ba~2~GaH(P~2~O~7~)~2~ Acta Crystallographica Section C 55(9) (1999) 1400-1401

176,435

2020-10-21

18:00:00

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2,008,987

11.4782

0.0001

17.9393

0.0003

23.3995

0.0002

90

null

101.006

0.001

90

null

4,729.59

0.1

203

2

203

2

null

6

P 1 21/c 1

-P 2ybc

14

- C53 H46 Cl2 O6 P2 Pt -

- C212 H184 Cl8 O24 P8 Pt4 -

4

1

TA1245

Henderson, William; Oliver, Allen G.

cis-Bis(phenoxyacetato-O)bis(triphenylphosphine-P)platinum(II) dichloromethane solvate

Acta Crystallographica Section C

1,999

55

9

1408

1410

10.1107/S010827019900757X

0.71073

MoKα

0.074

0.048

null

0.119

null

1.065

null

has coordinates

Henderson, William; Oliver, Allen G. cis-Bis(phenoxyacetato-O)bis(triphenylphosphine-P)platinum(II) dichloromethane solvate Acta Crystallographica Section C 55(9) (1999) 1408-1410

176,759

2020-10-21

18:00:00

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7,106,459

9.9029

0.0011

18.94

0.002

22.97

0.003

105.053

0.002

94.779

0.002

102.429

0.002

4,018.4

0.8

149

2

149

2

null

6

P -1

-P 1

2

- C60 H101.5 K4 N10 O29.5 U2 -

- C60 H98 K4 N10 O31.5 U2 -

- C120 H196 K8 N20 O63 U4 -

2

1

Chengbao Ni; David K. Shuh; Kenneth N. Raymond

Uranyl sequestration: synthesis and structural characterization of uranyl complexes with a tetradentate methylterephthalamide ligand

Chem.Commun.

2,011

47

6392

10.1039/c1cc11329a

0.71073

MoKα

0.0293

0.0239

null

0.0568

0.0602

null

1.039

null

has coordinates,has disorder

Chengbao Ni; David K. Shuh; Kenneth N. Raymond Uranyl sequestration: synthesis and structural characterization of uranyl complexes with a tetradentate methylterephthalamide ligand Chem.Commun. 47 (2011) 6392

180,168

2020-10-21

18:00:00

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2,008,988

9.346

0.001

9.516

0.001

15.031

0.001

96.62

0.01

103.76

0.01

102.92

0.01

1,245.4

0.2

293

2

293

2

null

6

P -1

-P 1

2

tetrakis(μ-6-chloropyridin-2-olato)-1κ^4^O,2κ^4^N- methoxy-1κO-diruthenium(II,III)(Ru—Ru)

- C21 H15 Cl4 N4 O5 Ru2 -

- C42 H30 Cl8 N8 O10 Ru4 -

2

1

TA1246

Youm, Kyoung-Tae; Kim, Youngmee; Jun, Moo-Jin

Tetrakis(μ-6-chloropyridin-2-olato)methoxydiruthenium(II, III)

Acta Crystallographica Section C

1,999

55

9

1483

1485

10.1107/S0108270199006563

0.71073

MoKα

0.031

0.028

null

0.08

null

1.132

null

has coordinates

Youm, Kyoung-Tae; Kim, Youngmee; Jun, Moo-Jin Tetrakis(μ-6-chloropyridin-2-olato)methoxydiruthenium(II, III) Acta Crystallographica Section C 55(9) (1999) 1483-1485

301,791

2025-08-18

23:15:33

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2,008,989

25.1766

0.001

6.6867

0.0003

19.3304

0.0007

90

null

113.807

0.003

90

null

2,977.3

0.2

293

2

293

2

null

5

C 1 2/c 1

-C 2yc

15

1,10-dihydro-1,10-phenanthrolinium iodinium-dichlorido chloride.

- C12 H10 Cl3 I N2 -

- C96 H80 Cl24 I8 N16 -

8

1

TA1249

Wang, Zhe-Ming; Wang, Yan-Qia; Liao, Chun-Sheng; Yan, Chun-Hua

1,10-Phenanthrolinium(2+) dichloroiodide(1 –) chloride

Acta Crystallographica Section C

1,999

55

9

1506

1508

10.1107/S0108270199007775

0.71073

MoKα

0.042

0.031

null

0.074

null

1.085

null

has coordinates,has Fobs

Wang, Zhe-Ming; Wang, Yan-Qia; Liao, Chun-Sheng; Yan, Chun-Hua 1,10-Phenanthrolinium(2+) dichloroiodide(1 –) chloride Acta Crystallographica Section C 55(9) (1999) 1506-1508

301,791

2025-08-18

23:15:33

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2,008,990

10.961

0.002

11.775

0.002

10.452

0.002

112.6

0.03

108.47

0.03

65.02

0.03

1,109.5

0.5

293

2

293

2

null

4

P -1

-P 1

2

[1,2,4]oxadiazolo[4,5-a][1,5]benzodiazepine

1,3a,5-triphenyl-3a,4,5,6-tetrahydro-[1,2,4]oxadiazolo[4,5-a] [1,5]benzodiazepine

- C28 H23 N3 O -

- C56 H46 N6 O2 -

2

1

TA1252

Xu, Jiaxi; Jin, Sheng

1,3a,5-Triphenyl-3a,4,5,6-tetrahydro-1,2,4-oxadiazolo[4,5-a][1,5]benzodiazepine

Acta Crystallographica Section C

1,999

55

9

1579

1581

10.1107/S0108270199006575

0.71073

MoKα

0.088

0.043

null

0.134

null

0.941

null

has coordinates,has Fobs

Xu, Jiaxi; Jin, Sheng 1,3a,5-Triphenyl-3a,4,5,6-tetrahydro-1,2,4-oxadiazolo[4,5-a][1,5]benzodiazepine Acta Crystallographica Section C 55(9) (1999) 1579-1581

301,791

2025-08-18

23:15:33

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2,008,991

11.375

0.003

10.438

0.003

12.577

0.004

90

null

115.8

0.02

90

null

1,344.4

0.7

293

2

293

2

null

4

P 1 21 1

P 2yb

4

- C24 H33 N3 O6 -

- C48 H66 N6 O12 -

2

1

VJ1099

Banumathi, S.; Velmurugan, D.; Ravikumar, K.; Vijayalakshmi, S.; Balaji Rao, R.; Balaram, P.

Methyl 1-(tert-butoxycarbonyl-L-alanyl-L-leucylamino)cyclooctane-1-carboxylate

Acta Crystallographica Section C

1,999

55

9

1575

1577

10.1107/S0108270199005260

0.71073

MoKα

0.0753

0.0684

null

0.1937

null

0.1861

null

1.091

null

has coordinates

Banumathi, S.; Velmurugan, D.; Ravikumar, K.; Vijayalakshmi, S.; Balaji Rao, R.; Balaram, P. Methyl 1-(tert-butoxycarbonyl-L-alanyl-L-leucylamino)cyclooctane-1-carboxylate Acta Crystallographica Section C 55(9) (1999) 1575-1577

176,759

2020-10-21

18:00:00

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7,106,458

30.576

0.004

30.576

0.004

45.263

0.006

90

null

90

null

90

null

42,316

10

150

2

150

2

null

5

I 41/a c d :2

-I 4bd 2c

142

- C130.56 H231.04 N24 O56.86 U4 -

- C130.52 H215.56 N24 O57 U4 -

- C1044.16 H1724.48 N192 O456 U32 -

8

0.25

Chengbao Ni; David K. Shuh; Kenneth N. Raymond

Uranyl sequestration: synthesis and structural characterization of uranyl complexes with a tetradentate methylterephthalamide ligand

Chem.Commun.

2,011

47

6392

10.1039/c1cc11329a

0.71073

MoKα

0.0763

0.0502

null

0.1509

0.1785

null

1.186

null

has coordinates,has disorder

Chengbao Ni; David K. Shuh; Kenneth N. Raymond Uranyl sequestration: synthesis and structural characterization of uranyl complexes with a tetradentate methylterephthalamide ligand Chem.Commun. 47 (2011) 6392

180,168

2020-10-21

18:00:00

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2,008,992

12.5262

0.0009

12.8058

0.0007

10.2263

0.0005

100.762

0.004

110.156

0.003

110.603

0.004

1,349.99

0.16

200

null

200

null

4

P -1

-P 1

2

- C34 H28 N2 O6 -

- C68 H56 N4 O12 -

2

1

BK1438

Bruce Taylor; Patrick J. Carroll; Madeleine M. Joullié

Novel compounds from 1,2-indanedione and 3,5-dimethoxyaniline

Acta Crystallographica Section C

1,999

55

10

1733

1736

10.1107/S0108270199004060

0.71069

MoKα

0.073

0.061

null

0.139

null

1.14

null

has coordinates

Bruce Taylor; Patrick J. Carroll; Madeleine M. Joullié Novel compounds from 1,2-indanedione and 3,5-dimethoxyaniline Acta Crystallographica Section C 55(10) (1999) 1733-1736

301,791

2025-08-18

23:15:33

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2,008,993

7.9574

0.0001

19.4192

0.0003

24.2174

0.0004

90

null

91.406

0.002

90

null

3,741.1

0.1

200

null

200

null

5

P 1 21 1

P 2yb

4

- C44 H36 Cl2 N2 O7 -

- C176 H144 Cl8 N8 O28 -

4

2

BK1438

Bruce Taylor; Patrick J. Carroll; Madeleine M. Joullié

Novel compounds from 1,2-indanedione and 3,5-dimethoxyaniline

Acta Crystallographica Section C

1,999

55

10

1733

1736

10.1107/S0108270199004060

0.71069

MoKα

0.068

0.062

null

0.161

null

1.07

null

has coordinates

Bruce Taylor; Patrick J. Carroll; Madeleine M. Joullié Novel compounds from 1,2-indanedione and 3,5-dimethoxyaniline Acta Crystallographica Section C 55(10) (1999) 1733-1736

301,791

2025-08-18

23:15:33

#------------------------------------------------------------------------------ #$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/2/00/89/2008993.cif $ #-------------------------------------------------------------------...

2,008,994

4.659

0.001

25.117

0.002

7.758

0.001

90

null

105.51

0.01

90

null

874.8

0.2

293

2

293

2

null

3

P 1 21 1

P 2yb

4

Methyl β-lactoside

Methyl 4-O-β-D-galactopyranosyl-β-D-glucopyranoside

- C14 H28 O12 -

- C28 H56 O24 -

2

1

BK1465

Stenutz, Roland; Shang, Maoyu; Serianni, Anthony S.

Methyl β-lactoside (methyl 4-O-β-D-galactopyranosyl-β-D-glucopyranoside) methanol solvate

Acta Crystallographica Section C

1,999

55

10

1719

1721

10.1107/S0108270199007994

0.71073

MoKα

0.0309

0.0301

null

0.0791

0.0781

null

1.124

1.129

null

has coordinates,has Fobs

Stenutz, Roland; Shang, Maoyu; Serianni, Anthony S. Methyl β-lactoside (methyl 4-O-β-D-galactopyranosyl-β-D-glucopyranoside) methanol solvate Acta Crystallographica Section C 55(10) (1999) 1719-1721

301,791

2025-08-18

23:15:33

#------------------------------------------------------------------------------ #$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/2/00/89/2008994.cif $ #-------------------------------------------------------------------...

2,008,995

10.087

0.001

12.454

0.002

14.177

0.003

90

null

90

null

90

null

1,781

0.5

293

2

293

2

null

4

P 21 21 21

P 2ac 2ab

19

8-Isopropyl-7,10-dimethoxy-3-phenyl-1-oxa-2,6,9-triaza-spiro[4.5]deca- 2,6,9-triene

- C17 H21 N3 O3 -

- C68 H84 N12 O12 -

4

1

BM1299

Nieger, Martin; Bolte, Michael

8-Isopropyl-7,10-dimethoxy-3-phenyl-1-oxa-2,6,9-triazaspiro[4.5]deca-2,6,9-triene

Acta Crystallographica Section C

1,999

55

10

1666

1667

10.1107/S0108270198015923

0.71069

MoKα

0.1

0.056

null

0.117

null

1.005

null

has coordinates

Nieger, Martin; Bolte, Michael 8-Isopropyl-7,10-dimethoxy-3-phenyl-1-oxa-2,6,9-triazaspiro[4.5]deca-2,6,9-triene Acta Crystallographica Section C 55(10) (1999) 1666-1667

301,791

2025-08-18

23:15:33

#------------------------------------------------------------------------------ #$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/2/00/89/2008995.cif $ #-------------------------------------------------------------------...

7,106,457

11.5918

0.0016

13.059

0.002

19.304

0.003

71.143

0.007

73.149

0.008

76.891

0.008

2,617.9

0.7

103

2

103

2

null

6

P -1

-P 1

2

- C55 H71 Cu F6 N P3 -

- C110 H142 Cu2 F12 N2 P6 -

2

1

Yumiko Nakajima; Yu Shiraishi; Takahiro Tsuchimoto; Fumiyuki Ozawa

Synthesis and coordination behavior of Cy(I) bis(phosphaethenyl)pyridine complexes.

Chem.Commun.

2,011

47

6332

10.1039/c1cc11315a

0.7107

MoKα

0.0853

0.0719

null

0.1985

0.2095

null

1.284

null

has coordinates,has disorder

Yumiko Nakajima; Yu Shiraishi; Takahiro Tsuchimoto; Fumiyuki Ozawa Synthesis and coordination behavior of Cy(I) bis(phosphaethenyl)pyridine complexes. Chem.Commun. 47 (2011) 6332

301,853

2025-08-21

21:50:04

#------------------------------------------------------------------------------ #$Date: 2025-08-22 00:26:11 +0300 (Fri, 22 Aug 2025) $ #$Revision: 301853 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/10/64/7106457.cif $ #-------------------------------------------------------------------...

2,008,996

14.8435

0.0003

14.8573

0.0002

18.9784

0.0004

107.983

0.001

96.779

0.001

103.117

0.001

3,796.28

0.13

293

2

293

2

null

8

P -1

-P 1

2

- C154 H128 La2 N8 Ni O22 P8 S4 -

1

0.5

BM1312

De-Liang Long; Huai-Min Hu; Jiu-Tong Chen; Jin-Shun Huang

[La(NO~3~)~2~(Ph~3~PO)~4~]~2~[Ni(C~4~N~2~S~2~)~2~]^.^2CH~3~OH

Acta Crystallographica Section C

1,999

55

10

1662

1664

10.1107/S0108270199006629

0.71073

MoKα

0.052

0.035

null

0.085

null

0.971

null

has coordinates

De-Liang Long; Huai-Min Hu; Jiu-Tong Chen; Jin-Shun Huang [La(NO~3~)~2~(Ph~3~PO)~4~]~2~[Ni(C~4~N~2~S~2~)~2~]^.^2CH~3~OH Acta Crystallographica Section C 55(10) (1999) 1662-1664

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/2/00/89/2008996.cif $ #-------------------------------------------------------------------...

2,008,997

13.336

0.003

13.837

0.003

16.059

0.004

90

null

98.51

0.02

90

null

2,930.7

1.2

193

2

193

2

null

4

C 1 2/c 1

-C 2yc

15

(4-(N-pyridiniummethyl)-1,3-dioxolane)-2-spiro-1',2',4',6' -trinitrocyclohexadienide

- C14 H12 N4 O8 -

- C112 H96 N32 O64 -

8

1

BM1329

Borbulevych, Oleg Ya.; Shishkin, Oleg V.; Knyazev, Victor N.

A zwitterionic Meisenheimer complex of 2,4,6-trinitrobenzene

Acta Crystallographica Section C

1,999

55

10

1704

1706

10.1107/S0108270199006083

0.71073

MoKα

0.0715

0.0442

null

0.1408

null

0.118

null

0.991

null

1.103

null

has coordinates

Borbulevych, Oleg Ya.; Shishkin, Oleg V.; Knyazev, Victor N. A zwitterionic Meisenheimer complex of 2,4,6-trinitrobenzene Acta Crystallographica Section C 55(10) (1999) 1704-1706

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/2/00/89/2008997.cif $ #-------------------------------------------------------------------...

2,008,998

6.5401

0.0012

14.0889

0.0018

8.1843

0.0012

90

null

99.753

0.012

90

null

743.2

0.2

173

2

173

2

null

6

P 1 21/c 1

-P 2ybc

14

Bis(imidazolidine-2-thione)gold(I) diiodoaurate(I)

- C6 H12 Au2 I2 N4 S2 -

- C12 H24 Au4 I4 N8 S4 -

2

0.5

BM1346

Friedrichs, Steffi; Jones, Peter G.

Bis(imidazolidine-2-thione)gold(I) diiodoaurate(I)

Acta Crystallographica Section C

1,999

55

10

1625

1627

10.1107/S0108270199008148

0.71073

MoKα

0.04

0.024

null

0.05

null

0.914

null

has coordinates,has Fobs

Friedrichs, Steffi; Jones, Peter G. Bis(imidazolidine-2-thione)gold(I) diiodoaurate(I) Acta Crystallographica Section C 55(10) (1999) 1625-1627

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/2/00/89/2008998.cif $ #-------------------------------------------------------------------...

2,008,999

7.3471

0.001

7.933

0.0012

13.663

0.0016

90

null

104.662

0.008

90

null

770.41

0.18

173

2

173

2

null

5

P 1 21/c 1

-P 2ybc

14

2-Chloro-6-hydroxypyridinium Chloride Hydrate

- C5 H7 Cl2 N O2 -

- C20 H28 Cl8 N4 O8 -

4

1

BM1350

Freytag, Matthias; Jones, Peter G.

2-Chloro-6-hydroxypyridinium chloride hydrate

Acta Crystallographica Section C

1,999

55

10

1682

1685

10.1107/S0108270199008045

0.71073

MoKα

0.046

0.028

null

0.065

null

0.885

null

has coordinates,has Fobs

Freytag, Matthias; Jones, Peter G. 2-Chloro-6-hydroxypyridinium chloride hydrate Acta Crystallographica Section C 55(10) (1999) 1682-1685

301,791

2025-08-18

23:15:33

#------------------------------------------------------------------------------ #$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/2/00/89/2008999.cif $ #-------------------------------------------------------------------...

2,009,000

12.321

0.009

12.321

0.009

12.321

0.009

90

null

90

null

90

null

1,870

2

300

2

300

2

null

4

I a -3 d

-I 4bd 2c 3

230

Garnet

- Ca3 Fe2 Ge3 O12 -

- Ca24 Fe16 Ge24 O96 -

8

0.083333

BR1247

Lévy, David; Barbier, Jacques

Normal and inverse garnets: Ca~3~Fe~2~Ge~3~O~12~, Ca~3~Y~2~Ge~3~O~12~ and Mg~3~Y~2~Ge~3~O~12~

Acta Crystallographica Section C

1,999

55

10

1611

1614

10.1107/S0108270199007854

0.71073

MoKα

0.044

0.03

null

0.068

null

1.253

null

has coordinates

Lévy, David; Barbier, Jacques Normal and inverse garnets: Ca~3~Fe~2~Ge~3~O~12~, Ca~3~Y~2~Ge~3~O~12~ and Mg~3~Y~2~Ge~3~O~12~ Acta Crystallographica Section C 55(10) (1999) 1611-1614

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/2/00/90/2009000.cif $ #-------------------------------------------------------------------...

7,106,456

18.33

0.007

18.284

0.006

18.673

0.007

90

null

110.23

0.004

90

null

5,872

4

173

2

173

2

null

9

P 1 21/a 1

-P 2yab

14

- C57 H73 Cl2 Cu F6 N O P2 Sb -

- C57 H73 Cl1.98 Cu F6 N O P2 Sb -

- C228 H292 Cl7.92 Cu4 F24 N4 O4 P8 Sb4 -

4

1

Yumiko Nakajima; Yu Shiraishi; Takahiro Tsuchimoto; Fumiyuki Ozawa

Synthesis and coordination behavior of Cy(I) bis(phosphaethenyl)pyridine complexes.

Chem.Commun.

2,011

47

6332

10.1039/c1cc11315a

0.71073

MoKα

0.1099

0.1005

null

0.3153

0.3193

null

1.992

null

has coordinates,has disorder

Yumiko Nakajima; Yu Shiraishi; Takahiro Tsuchimoto; Fumiyuki Ozawa Synthesis and coordination behavior of Cy(I) bis(phosphaethenyl)pyridine complexes. Chem.Commun. 47 (2011) 6332

180,168

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-26 03:05:44 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180168 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/10/64/7106456.cif $ #-------------------------------------------------------------------...

2,009,001

12.8059

0.0008

12.8059

0.0008

12.8059

0.0008

90

null

90

null

90

null

2,100.1

0.2

299

2

299

2

null

4

I a -3 d

-I 4bd 2c 3

230

Garnet

- Ca3 Ge3 O12 Y2 -

- Ca24 Ge24 O96 Y16 -

8

0.083333

BR1247

Lévy, David; Barbier, Jacques

Normal and inverse garnets: Ca~3~Fe~2~Ge~3~O~12~, Ca~3~Y~2~Ge~3~O~12~ and Mg~3~Y~2~Ge~3~O~12~

Acta Crystallographica Section C

1,999

55

10

1611

1614

10.1107/S0108270199007854

0.71073

MoKα

0.05

0.031

null

0.087

null

1.179

null

has coordinates

Lévy, David; Barbier, Jacques Normal and inverse garnets: Ca~3~Fe~2~Ge~3~O~12~, Ca~3~Y~2~Ge~3~O~12~ and Mg~3~Y~2~Ge~3~O~12~ Acta Crystallographica Section C 55(10) (1999) 1611-1614

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/2/00/90/2009001.cif $ #-------------------------------------------------------------------...

2,009,002

12.2489

0.0012

12.2489

0.0012

12.2489

0.0012

90

null

90

null

90

null

1,837.8

0.3

299

2

299

2

null

4

I a -3 d

-I 4bd 2c 3

230

Garnet

- Ge3 Mg3 O12 Y2 -

- Ge3 Mg2.99 O12 Y2.01 -

- Ge24 Mg23.92 O96 Y16.08 -

8

0.083333

BR1247

Lévy, David; Barbier, Jacques

Normal and inverse garnets: Ca~3~Fe~2~Ge~3~O~12~, Ca~3~Y~2~Ge~3~O~12~ and Mg~3~Y~2~Ge~3~O~12~

Acta Crystallographica Section C

1,999

55

10

1611

1614

10.1107/S0108270199007854

0.71073

MoKα

0.058

0.032

null

0.075

null

1.187

null

has coordinates

Lévy, David; Barbier, Jacques Normal and inverse garnets: Ca~3~Fe~2~Ge~3~O~12~, Ca~3~Y~2~Ge~3~O~12~ and Mg~3~Y~2~Ge~3~O~12~ Acta Crystallographica Section C 55(10) (1999) 1611-1614

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/2/00/90/2009002.cif $ #-------------------------------------------------------------------...

2,009,003

9.7378

0.0005

14.9883

0.0007

15.4828

0.001

90

null

100.244

0.005

90

null

2,223.7

0.2

293

2

293

2

null

7

P 1 21/n 1

-P 2yn

14

Dichloro[(cyclopentadienyl)tris(dimethylphosphito-P) cobalt-O,O',O'']oxomolybdenum(V)

- C11 H23 Cl2 Co Mo O10 P3 -

- C44 H92 Cl8 Co4 Mo4 O40 P12 -

4

1

CF1313

Roh, Soo-Gyun; Jeong, Jong Hwa

Dichloro[(cyclopentadienyl)tris(dimethylphosphito-P)cobalt(III)-O,O',O'']oxomolybdenum(V)

Acta Crystallographica Section C

1,999

55

10

1658

1660

10.1107/S0108270199008781

0.71073

MoKα

0.046

0.039

null

0.108

null

1.08

null

has coordinates,has disorder

Roh, Soo-Gyun; Jeong, Jong Hwa Dichloro[(cyclopentadienyl)tris(dimethylphosphito-P)cobalt(III)-O,O',O'']oxomolybdenum(V) Acta Crystallographica Section C 55(10) (1999) 1658-1660

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/2/00/90/2009003.cif $ #-------------------------------------------------------------------...

2,009,004

21.148

0.002

5.16

0.002

4.94

0.001

90

null

96.69

0.01

90

null

535.4

0.2

298.2

null

298.2

null

3

P 1 21/a 1

-P 2yab

14

1,10-decanediol

- C10 H22 O2 -

- C20 H44 O4 -

2

0.5

CF1316

Nakamura, Naotake; Sato, Taketoshi

1,10-Decanediol

Acta Crystallographica Section C

1,999

55

10

1685

1687

10.1107/S0108270199008318

1.5418

CuKα

0.0607

0.0391

null

0.0731

null

0.0626

null

1.359

null

1.399

null

has coordinates

Nakamura, Naotake; Sato, Taketoshi 1,10-Decanediol Acta Crystallographica Section C 55(10) (1999) 1685-1687

301,791

2025-08-18

23:15:33

#------------------------------------------------------------------------------ #$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/2/00/90/2009004.cif $ #-------------------------------------------------------------------...

2,009,005

8.6829

0.0013

10.751

0.0016

14.42

0.002

88.617

0.013

80.841

0.011

73.689

0.011

1,275.2

0.3

293

2

293

2

null

5

P -1

-P 1

2

Dibromo[1,3-propanediylbis(diphenylphosphine)-P,P']palladium(II)

- C27 H26 Br2 P2 Pd -

- C54 H52 Br4 P4 Pd2 -

2

1

CF1318

José M. Vila; Juan M. Ortigueira; Margarita López; Jesus J. Fernández; Alberto Fernández

Dibromo[propane-1,3-diylbis(diphenylphosphine)-P,P']palladium(II)

Acta Crystallographica Section C

1,999

55

10

1646

1647

10.1107/S0108270199008306

0.71073

MoKα

0.137

0.039

null

0.095

null

0.985

null

has coordinates

José M. Vila; Juan M. Ortigueira; Margarita López; Jesus J. Fernández; Alberto Fernández Dibromo[propane-1,3-diylbis(diphenylphosphine)-P,P']palladium(II) Acta Crystallographica Section C 55(10) (1999) 1646-1647

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/2/00/90/2009005.cif $ #-------------------------------------------------------------------...

7,106,455

12.075

0.003

17.639

0.004

17.853

0.004

111.242

0.003

101.392

0.002

105.382

0.0015

3,229.7

1.3

173

2

173

2

null

7

P -1

-P 1

2

- C67.5 H86 Cu F6 N2 P2 Sb -

- C135 H172 Cu2 F12 N4 P4 Sb2 -

2

1

Yumiko Nakajima; Yu Shiraishi; Takahiro Tsuchimoto; Fumiyuki Ozawa

Synthesis and coordination behavior of Cy(I) bis(phosphaethenyl)pyridine complexes.

Chem.Commun.

2,011

47

6332

10.1039/c1cc11315a

0.7107

MoKα

0.1069

0.0833

null

0.186

0.2033

null

1.124

null

has coordinates,has disorder

Yumiko Nakajima; Yu Shiraishi; Takahiro Tsuchimoto; Fumiyuki Ozawa Synthesis and coordination behavior of Cy(I) bis(phosphaethenyl)pyridine complexes. Chem.Commun. 47 (2011) 6332

176,453

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $ #$Revision: 176453 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/10/64/7106455.cif $ #-------------------------------------------------------------------...

2,009,006

12.1685

0.0019

13.724

0.002

13.315

0.003

90

null

114.792

0.009

90

null

2,018.7

0.6

220

0.2

220

0.2

null

4

I 1 2/a 1

-I 2ya

15

7-Phenyl-1,2,3,4,-tetrahydro-1,4-diazepin-5-one

- C11 H12 N2 O -

- C88 H96 N16 O8 -

8

1

CF1321

Clark, Bernard A. J.; Evans, Matthew C.; Lloyd, Douglas; McNab, Hamish; Parsons, Simon

7-Phenyl-2,3,4,5-tetrahydro-1H-1,4-diazepin-5-one

Acta Crystallographica Section C

1,999

55

10

1725

1727

10.1107/S010827019900832X

0.71073

MoKα

0.047

0.034

null

0.089

null

1.048

null

has coordinates

Clark, Bernard A. J.; Evans, Matthew C.; Lloyd, Douglas; McNab, Hamish; Parsons, Simon 7-Phenyl-2,3,4,5-tetrahydro-1H-1,4-diazepin-5-one Acta Crystallographica Section C 55(10) (1999) 1725-1727

301,791

2025-08-18

23:15:33

#------------------------------------------------------------------------------ #$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/2/00/90/2009006.cif $ #-------------------------------------------------------------------...

2,009,007

10.58

0.01

16.1

0.02

13.954

0.01

90

null

100.97

0.01

90

null

2,333

4

293

2

293

2

null

4

P 1 21/n 1

-P 2yn

14

1,3-diphenyl- 4-(P-Me-phenyl)- spiro pyrazoline [ 5.2']-1'tetralone.

- C31 H26 N2 O -

- C124 H104 N8 O4 -

4

1

FG1522

R. Krishna; D. Velmurugan; R. Murugesan; M. Shanmuga Sundaram; R. Raghunathan

1',2',3',4'-Tetrahydro-1,3-diphenyl-4-p-tolylspiro[2-pyrazoline-5,2'-naphthalen]-1'-one

Acta Crystallographica Section C

1,999

55

10

1676

1677

10.1107/S0108270199007283

1.54178

CuKα

0.0851

0.0632

null

0.1648

null

1.099

null

has coordinates

R. Krishna; D. Velmurugan; R. Murugesan; M. Shanmuga Sundaram; R. Raghunathan 1',2',3',4'-Tetrahydro-1,3-diphenyl-4-p-tolylspiro[2-pyrazoline-5,2'-naphthalen]-1'-one Acta Crystallographica Section C 55(10) (1999) 1676-1677

301,791

2025-08-18

23:15:33

#------------------------------------------------------------------------------ #$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/2/00/90/2009007.cif $ #-------------------------------------------------------------------...

2,009,008

8.626

0.002

6.5402

0.0012

14.524

0.004

90

null

100.21

0.03

90

null

806.4

0.3

293

2

293

2

null

3

P 1 21 1

P 2yb

4

4-O-benzyl-2,3-O-isopropylidene-α-L-rhamnopyranose

- C16 H22 O5 -

- C32 H44 O10 -

2

1

FG1535

Eriksson, Lars; Söderman, Peter; Widmalm, Göran

4-O-Benzyl-2,3-O-isopropylidene-α-L-rhamnopyranose

Acta Crystallographica Section C

1,999

55

10

1736

1738

10.1107/S0108270199008203

0.71073

MoKα

0.201

0.065

null

0.112

null

0.081

null

0.715

null

0.715

null

has coordinates

Eriksson, Lars; Söderman, Peter; Widmalm, Göran 4-O-Benzyl-2,3-O-isopropylidene-α-L-rhamnopyranose Acta Crystallographica Section C 55(10) (1999) 1736-1738

301,791

2025-08-18

23:15:33

#------------------------------------------------------------------------------ #$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/2/00/90/2009008.cif $ #-------------------------------------------------------------------...

2,009,009

9.7491

0.0006

10.0291

0.0006

11.1681

0.0005

85.297

0.004

71.869

0.004

61.3013

0.0018

907.28

0.09

150

2

150

2

null

5

P -1

-P 1

2

bis((μ^2^-Isopropoxo)-di-isopropoxy-4-Methylphenylimido-vanadium(v))

- C32 H56 N2 O6 V2 -

1

0.5

FG1541

Lutz, Martin; Hagen, Henk; Schreurs, Antoine M.M.; Spek, Anthony L.; van Koten, Gerard

The twinned structure of the μ-isopropoxidodiisopropoxido(p-tolylimido)vanadium(V) dimer, twin refinement against CCD area-detector data

Acta Crystallographica Section C

1,999

55

10

1636

1639

10.1107/S0108270199003728

0.71073

MoKα

0.085

0.07

null

0.174

null

1.186

null

has coordinates,has Fobs

Lutz, Martin; Hagen, Henk; Schreurs, Antoine M.M.; Spek, Anthony L.; van Koten, Gerard The twinned structure of the μ-isopropoxidodiisopropoxido(p-tolylimido)vanadium(V) dimer, twin refinement against CCD area-detector data Acta Crystallographica Section C 55(10) (1999) 1636-1639

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/2/00/90/2009009.cif $ #-------------------------------------------------------------------...

7,106,454

11.715

0.002

24.683

0.005

19.4

0.004

90

null

106.209

0.003

90

null

5,386.7

1.8

173

2

173

2

null

7

P 1 21/c 1

-P 2ybc

14

- C55 H71 Cu F6 N P2 Sb -

- C220 H284 Cu4 F24 N4 P8 Sb4 -

4

1

Yumiko Nakajima; Yu Shiraishi; Takahiro Tsuchimoto; Fumiyuki Ozawa

Synthesis and coordination behavior of Cy(I) bis(phosphaethenyl)pyridine complexes.

Chem.Commun.

2,011

47

6332

10.1039/c1cc11315a

0.7107

MoKα

0.1036

0.0875

null

0.227

0.2367

null

1.396

null

has coordinates,has disorder

Yumiko Nakajima; Yu Shiraishi; Takahiro Tsuchimoto; Fumiyuki Ozawa Synthesis and coordination behavior of Cy(I) bis(phosphaethenyl)pyridine complexes. Chem.Commun. 47 (2011) 6332

180,168

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-26 03:05:44 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180168 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/10/64/7106454.cif $ #-------------------------------------------------------------------...

2,009,010

8.1819

0.0006

8.3833

0.0006

8.4079

0.0006

106.244

0.001

94.879

0.001

109.663

0.001

511.06

0.06

296

2

296

2

null

6

P -1

-P 1

2

Trans-dioxobis(N,N-diethylethylenediamine-N,N')rhenium(V)chloride hydrate (1/3)

- C12 H38 Cl N4 O5 Re -

- C12 H32 Cl N4 O5 Re -

1

0.5

FG1544

Engelbrecht, Hendrik P.; Otto, Stefanus; Roodt, Andreas

trans-Bis(N,N-diethylethylenediamine-N,N')dioxorhenium(V) chloride trihydrate

Acta Crystallographica Section C

1,999

55

10

1648

1650

10.1107/S0108270199007507

0.71073

MoKα

0.0188

null

0.0489

null

1.058

null

has coordinates

Engelbrecht, Hendrik P.; Otto, Stefanus; Roodt, Andreas trans-Bis(N,N-diethylethylenediamine-N,N')dioxorhenium(V) chloride trihydrate Acta Crystallographica Section C 55(10) (1999) 1648-1650

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/2/00/90/2009010.cif $ #-------------------------------------------------------------------...

2,009,011

7.105

0.003

8.69

0.003

5.777

0.002

90.65

0.03

106.53

0.03

105.69

0.03

327.7

0.2

173

1

173

1

null

5

P -1

-P 1

2

(E)-N-methyl-1-(methylthio)-2-nitroethenylamine

- C4 H8 N2 O2 S -

- C8 H16 N4 O4 S2 -

2

1

FG1546

Linden, Anthony; Moya Argilagos, Dally; Heimgartner, Heinz; García Trimiño, María I.; Macías Cabrera, Arturo

`Push–pull' effects in nitroethenamines

Acta Crystallographica Section C

1,999

55

10

1692

1698

10.1107/S0108270199006861

0.71069

MoKα

0.043

0.036

null

0.108

null

1.208

null

has coordinates,has Fobs

Linden, Anthony; Moya Argilagos, Dally; Heimgartner, Heinz; García Trimiño, María I.; Macías Cabrera, Arturo `Push–pull' effects in nitroethenamines Acta Crystallographica Section C 55(10) (1999) 1692-1698

301,791

2025-08-18

23:15:33

#------------------------------------------------------------------------------ #$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/2/00/90/2009011.cif $ #-------------------------------------------------------------------...

2,009,012

11.7761

0.0016

17.172

0.002

6.825

0.004

90

null

90

null

90

null

1,380.1

0.8

173

1

173

1

null

5

P 21 21 21

P 2ac 2ab

19

N-benzoyl-3,3-bis(methylamino)-2-nitrothioacrylamide

- C12 H14 N4 O3 S -

- C48 H56 N16 O12 S4 -

4

1

FG1546

Linden, Anthony; Moya Argilagos, Dally; Heimgartner, Heinz; García Trimiño, María I.; Macías Cabrera, Arturo

`Push‒pull' effects in nitroethenamines

Acta Crystallographica Section C

1,999

55

10

1692

1698

10.1107/S0108270199006861

0.71069

MoKα

0.05

0.033

null

0.09

null

1.089

null

has coordinates,has Fobs

Linden, Anthony; Moya Argilagos, Dally; Heimgartner, Heinz; García Trimiño, María I.; Macías Cabrera, Arturo `Push‒pull' effects in nitroethenamines Acta Crystallographica Section C 55(10) (1999) 1692-1698

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/2/00/90/2009012.cif $ #-------------------------------------------------------------------...

7,106,453

15.9441

0.0002

9.6494

0.0001

35.072

0.0007

90

null

96.2821

0.0008

90

null

5,363.46

0.14

103

2

103

2

null

7

P 1 21/c 1

-P 2ybc

14

- C55.5 H72 Br Cl Cu N P2 -

- C222 H288 Br4 Cl4 Cu4 N4 P8 -

4

1

Yumiko Nakajima; Yu Shiraishi; Takahiro Tsuchimoto; Fumiyuki Ozawa

Synthesis and coordination behavior of Cy(I) bis(phosphaethenyl)pyridine complexes.

Chem.Commun.

2,011

47

6332

10.1039/c1cc11315a

0.71075

MoKα

0.0969

0.0818

null

0.1827

0.1902

null

1.241

null

has coordinates,has disorder

Yumiko Nakajima; Yu Shiraishi; Takahiro Tsuchimoto; Fumiyuki Ozawa Synthesis and coordination behavior of Cy(I) bis(phosphaethenyl)pyridine complexes. Chem.Commun. 47 (2011) 6332

176,453

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $ #$Revision: 176453 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/10/64/7106453.cif $ #-------------------------------------------------------------------...

2,009,013

11.9391

0.0008

14.4523

0.0013

10.7398

0.0009

90

null

108.93

0.005

90

null

1,752.9

0.3

173

1

173

1

null

5

P 1 21/c 1

-P 2ybc

14

N-cinnamoyl-3,3-bis(dimethylamino)-2-nitrothioacrylamide

- C16 H20 N4 O3 S -

- C64 H80 N16 O12 S4 -

4

1

FG1546

Linden, Anthony; Moya Argilagos, Dally; Heimgartner, Heinz; García Trimiño, María I.; Macías Cabrera, Arturo

`Push‒pull' effects in nitroethenamines

Acta Crystallographica Section C

1,999

55

10

1692

1698

10.1107/S0108270199006861

0.71069

MoKα

0.12

0.051

null

0.14

null

1.01

null

has coordinates,has Fobs

Linden, Anthony; Moya Argilagos, Dally; Heimgartner, Heinz; García Trimiño, María I.; Macías Cabrera, Arturo `Push‒pull' effects in nitroethenamines Acta Crystallographica Section C 55(10) (1999) 1692-1698

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/2/00/90/2009013.cif $ #-------------------------------------------------------------------...

2,009,014

11.922

0.003

17.628

0.003

10.442

0.003

90

null

90

null

90

null

2,194.5

0.9

173

1

173

1

null

5

P 21 21 21

P 2ac 2ab

19

S-methyl N-benzoyl-3-(N-methyl-N-phenylamino)-2-nitro-3- (phenylamino)thioacrylimidate

- C24 H22 N4 O3 S -

- C96 H88 N16 O12 S4 -

4

1

FG1546

Linden, Anthony; Moya Argilagos, Dally; Heimgartner, Heinz; García Trimiño, María I.; Macías Cabrera, Arturo

`Push‒pull' effects in nitroethenamines

Acta Crystallographica Section C

1,999

55

10

1692

1698

10.1107/S0108270199006861

0.71069

MoKα

0.05

0.035

null

0.085

null

1.023

null

has coordinates,has Fobs

Linden, Anthony; Moya Argilagos, Dally; Heimgartner, Heinz; García Trimiño, María I.; Macías Cabrera, Arturo `Push‒pull' effects in nitroethenamines Acta Crystallographica Section C 55(10) (1999) 1692-1698

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/2/00/90/2009014.cif $ #-------------------------------------------------------------------...

7,106,452

12.8566

0.0013

13.5153

0.0014

15.7219

0.0016

91.218

0.002

110.219

0.002

113.491

0.002

2,310.6

0.4

100

2

100

2

null

7

P -1

-P 1

2

[PPh4]2[(HL)2Fe6Br6]

- C100 H102 Br6 Fe6 N14 O2 P2 -

1

0.5

Harris, T. David; Zhao, Qinliang; Sánchez, Raúl Hernández; Betley, Theodore A.

Expanded redox accessibility via ligand substitution in an octahedral Fe6Br6 cluster"

Chem.Commun.

2,011

47

6344

6346

10.1039/c1cc11561h

0.71073

MoKα

0.057

0.0369

null

0.0781

0.0854

null

1.02

null

has coordinates

Harris, T. David; Zhao, Qinliang; Sánchez, Raúl Hernández; Betley, Theodore A. Expanded redox accessibility via ligand substitution in an octahedral Fe6Br6 cluster" Chem.Commun. 47 (2011) 6344-6346

180,168

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-26 03:05:44 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180168 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/10/64/7106452.cif $ #-------------------------------------------------------------------...

2,009,015

12.82

0.001

5.787

0.001

14.817

0.002

90

null

107.93

0.02

90

null

1,045.9

0.3

293

2

293

2

null

5

P 1 21/c 1

-P 2ybc

14

- C13 H10 F N O -

- C52 H40 F4 N4 O4 -

4

1

FG1547

Burgess, John; Fawcett, John; Russell, David R.; Gilani, Syeda R.; Palma, Vitor

Four N-(2-hydroxybenzylidene)aniline derivatives

Acta Crystallographica Section C

1,999

55

10

1707

1710

10.1107/S0108270199008239

0.71073

MoKα

0.0551

0.0374

null

0.1099

null

0.0961

null

1.003

null

1.033

null

has coordinates,has Fobs

Burgess, John; Fawcett, John; Russell, David R.; Gilani, Syeda R.; Palma, Vitor Four N-(2-hydroxybenzylidene)aniline derivatives Acta Crystallographica Section C 55(10) (1999) 1707-1710

301,791

2025-08-18

23:15:33

#------------------------------------------------------------------------------ #$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/2/00/90/2009015.cif $ #-------------------------------------------------------------------...

2,009,016

5.647

0.001

7.977

0.002

29.197

0.004

90

null

90.63

0.02

90

null

1,315.1

0.4

293

2

293

2

null

5

P 1 21/c 1

-P 2ybc

14

- C14 H10 F3 N O2 -

- C56 H40 F12 N4 O8 -

4

1

FG1547

Burgess, John; Fawcett, John; Russell, David R.; Gilani, Syeda R.; Palma, Vitor

Four N-(2-hydroxybenzylidene)aniline derivatives

Acta Crystallographica Section C

1,999

55

10

1707

1710

10.1107/S0108270199008239

0.71073

MoKα

0.1241

0.069

null

0.2369

null

0.189

null

1.036

null

1.154

null

has coordinates

Burgess, John; Fawcett, John; Russell, David R.; Gilani, Syeda R.; Palma, Vitor Four N-(2-hydroxybenzylidene)aniline derivatives Acta Crystallographica Section C 55(10) (1999) 1707-1710

301,791

2025-08-18

23:15:33

#------------------------------------------------------------------------------ #$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/2/00/90/2009016.cif $ #-------------------------------------------------------------------...

2,009,017

27.419

0.007

6.901

0.002

6.137

0.001

90

null

95.57

0.02

90

null

1,155.8

0.5

190

2

190

2

null

5

P 1 21/c 1

-P 2ybc

14

- C13 H9 Cl2 N O -

- C52 H36 Cl8 N4 O4 -

4

1

FG1547

Burgess, John; Fawcett, John; Russell, David R.; Gilani, Syeda R.; Palma, Vitor

Four N-(2-hydroxybenzylidene)aniline derivatives

Acta Crystallographica Section C

1,999

55

10

1707

1710

10.1107/S0108270199008239

0.71073

MoKα

0.0394

0.034

null

0.095

null

0.0905

null

1.117

null

1.129

null

has coordinates

Burgess, John; Fawcett, John; Russell, David R.; Gilani, Syeda R.; Palma, Vitor Four N-(2-hydroxybenzylidene)aniline derivatives Acta Crystallographica Section C 55(10) (1999) 1707-1710

301,791

2025-08-18

23:15:33

#------------------------------------------------------------------------------ #$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/2/00/90/2009017.cif $ #-------------------------------------------------------------------...

7,106,451

12.475

0.004

12.475

0.004

26.82

0.007

90

null

90

null

120

null

3,614.7

1.9

100

2

100

2

null

5

R -3 :H

-R 3

148

(HL)2Fe6Br6

- C46 H48 Br6 Fe6 N12 -

- C46 H42 Br6 Fe6 N12 -

- C138 H126 Br18 Fe18 N36 -

3

0.166667

Harris, T. David; Zhao, Qinliang; Sánchez, Raúl Hernández; Betley, Theodore A.

Expanded redox accessibility via ligand substitution in an octahedral Fe6Br6 cluster"

Chem.Commun.

2,011

47

6344

6346

10.1039/c1cc11561h

0.71073

MoKα

0.0767

0.0482

null

0.1261

0.1469

null

1.083

null

has coordinates

Harris, T. David; Zhao, Qinliang; Sánchez, Raúl Hernández; Betley, Theodore A. Expanded redox accessibility via ligand substitution in an octahedral Fe6Br6 cluster" Chem.Commun. 47 (2011) 6344-6346

180,168

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-26 03:05:44 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180168 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/10/64/7106451.cif $ #-------------------------------------------------------------------...

2,009,018

12.413

0.002

5.744

0.002

15.597

0.003

90

null

97.69

0.02

90

null

1,102.1

0.5

190

2

190

2

null

4

P 1 21/c 1

-P 2ybc

14

- C13 H10 N2 O3 -

- C52 H40 N8 O12 -

4

1

FG1547

Burgess, John; Fawcett, John; Russell, David R.; Gilani, Syeda R.; Palma, Vitor

Four N-(2-hydroxybenzylidene)aniline derivatives

Acta Crystallographica Section C

1,999

55

10

1707

1710

10.1107/S0108270199008239

0.71073

MoKα

0.0693

0.0481

null

0.1493

null

0.1244

null

0.866

null

0.849

null

has coordinates

Burgess, John; Fawcett, John; Russell, David R.; Gilani, Syeda R.; Palma, Vitor Four N-(2-hydroxybenzylidene)aniline derivatives Acta Crystallographica Section C 55(10) (1999) 1707-1710

301,791

2025-08-18

23:15:33

#------------------------------------------------------------------------------ #$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/2/00/90/2009018.cif $ #-------------------------------------------------------------------...

2,009,019

6.597

0.001

11.468

0.001

11.103

0.001

90

null

91.9

0.01

90

null

839.53

0.17

293

2

293

2

null

3

P 1 21 1

P 2yb

4

(+)-3-Oxoandrosta-1,4-diene-17β-carboxylic Acid

- C20 H26 O3 -

- C40 H52 O6 -

2

1

FG1554

Thompson, Hugh W.; Lalancette, Roger A.; Brunskill, Andrew P. J.

(+)-3-Oxoandrosta-1,4-diene-17β-carboxylic acid: catemeric hydrogen bonding in a steroidal keto acid

Acta Crystallographica Section C

1,999

55

10

1680

1682

10.1107/S0108270199007519

0.71073

MoKα

0.09

0.05

null

0.099

null

1.02

null

has coordinates

Thompson, Hugh W.; Lalancette, Roger A.; Brunskill, Andrew P. J. (+)-3-Oxoandrosta-1,4-diene-17β-carboxylic acid: catemeric hydrogen bonding in a steroidal keto acid Acta Crystallographica Section C 55(10) (1999) 1680-1682

301,791

2025-08-18

23:15:33

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2,009,020

8.885

0.003

10.2996

0.0019

8.5543

0.0015

111.952

0.011

98.61

0.03

103.04

0.03

683.2

0.3

296

null

296

null

5

P -1

-P 1

2

1,2-Dihydro-1,6-dihydroxy-2-(2-methoxy-6-pyridyl)-2,3,1-benzodiazaborine

- C13 H14 B N3 O4 -

- C26 H28 B2 N6 O8 -

2

1

FG1557

Robinson, Paul D.; Groziak, Michael P.

A boron-containing estrogen mimic

Acta Crystallographica Section C

1,999

55

10

1701

1704

10.1107/S0108270199007520

0.71069

MoKα

0.067

0.036

null

0.118

null

1.029

null

has coordinates,has disorder

Robinson, Paul D.; Groziak, Michael P. A boron-containing estrogen mimic Acta Crystallographica Section C 55(10) (1999) 1701-1704

301,791

2025-08-18

23:15:33

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2,009,021

7.6535

0.0009

10.8255

0.001

7.4067

0.0009

92.436

0.01

117.023

0.008

81.61

0.009

540.62

0.11

296

null

296

null

4

P -1

-P 1

2

6,7,8,9-Tetrahydro-3-methyl-1H-pyrano[4,3-b]quinoline-1-one

- C13 H13 N O2 -

- C26 H26 N2 O4 -

2

1

FG1560

Hua, Duy H.; Chen, Yi; Sin, Hong-Sig; Robinson, Paul D.; Meyers, Cal Y.; Perchellet, Elisabeth M.; Perchellet, Jean-Pierre; Chiang, Peter K.; Biellmann, Jean-Francois

6,7,8,9-Tetrahydro-3-methyl-1H-pyrano[4,3-b]quinolin-1-one

Acta Crystallographica Section C

1,999

55

10

1698

1701

10.1107/S0108270199007301

0.71069

MoKα

0.125

0.038

null

0.127

null

1.02

null

has coordinates

Hua, Duy H.; Chen, Yi; Sin, Hong-Sig; Robinson, Paul D.; Meyers, Cal Y.; Perchellet, Elisabeth M.; Perchellet, Jean-Pierre; Chiang, Peter K.; Biellmann, Jean-Francois 6,7,8,9-Tetrahydro-3-methyl-1H-pyrano[4,3-b]quinolin-1-one Acta Crystallographica Section C 55(10) (1999) 1698-1701

301,791

2025-08-18

23:15:33

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7,106,450

8.5268

0.001

8.921

0.002

10.1561

0.0012

104.645

0.002

113.487

0.001

94.976

0.002

670.05

0.19

293

2

293

2

null

5

P -1

-P 1

2

- C16 H20 Co3 N14 O12 -

1

0.5

Yan-Qing Wang; Wei-Wei Sun; Zhen-Dong Wang; Qin-Xiang Jia; En-Qing Gao; You Song

Solvent-modulated slow magnetic relaxation in a two-dimensional compound composed of cobalt(II) single-chain magnets

Chem.Commun.

2,011

47

6386

10.1039/c1cc12028j

0.71073

MoKα

0.0576

0.0401

null

0.0904

0.1005

null

0.999

null

has coordinates

Yan-Qing Wang; Wei-Wei Sun; Zhen-Dong Wang; Qin-Xiang Jia; En-Qing Gao; You Song Solvent-modulated slow magnetic relaxation in a two-dimensional compound composed of cobalt(II) single-chain magnets Chem.Commun. 47 (2011) 6386

180,168

2020-10-21

18:00:00

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2,009,022

15.4891

0.0014

12.2319

0.0009

18.2654

0.0018

90

null

97.694

0.007

90

null

3,429.4

0.5

293

2

293

2

null

6

P 1 21/n 1

-P 2yn

14

- C24 H44 Cd N6 O6 S4 -

- C96 H176 Cd4 N24 O24 S16 -

4

1

FR1179

Bernès, Sylvain; Aguilar, Julio César; Rodríguez de San Miguel Guerrero, Eduardo; Nuñez Gaytán, María Elena; De Gyves, Josefina

Complexation of ω-thiocaprolactam with heavy metals: terminal and bridging coordination modes in cadmium and silver compounds

Acta Crystallographica Section C

1,999

55

10

1627

1631

10.1107/S0108270199005569

0.71073

MoKα

0.166

0.0672

null

0.1447

0.1903

null

1.016

null

has coordinates,has disorder

Bernès, Sylvain; Aguilar, Julio César; Rodríguez de San Miguel Guerrero, Eduardo; Nuñez Gaytán, María Elena; De Gyves, Josefina Complexation of ω-thiocaprolactam with heavy metals: terminal and bridging coordination modes in cadmium and silver compounds Acta Crystallographica Section C 55(10) (1999) 1627-1631

176,759

2020-10-21

18:00:00

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2,009,023

14.3913

0.0014

11.0072

0.0011

22.163

0.002

90

null

100.898

0.007

90

null

3,447.5

0.6

293

2

293

2

null

6

P 1 21/n 1

-P 2yn

14

- C48 H88 Ag4 N12 O12 S8 -

- C96 H176 Ag8 N24 O24 S16 -

2

0.5

FR1179

Bernès, Sylvain; Aguilar, Julio César; Rodríguez de San Miguel Guerrero, Eduardo; Nuñez Gaytán, María Elena; De Gyves, Josefina

Complexation of ω-thiocaprolactam with heavy metals: terminal and bridging coordination modes in cadmium and silver compounds

Acta Crystallographica Section C

1,999

55

10

1627

1631

10.1107/S0108270199005569

0.71073

MoKα

0.1097

0.0556

null

0.1084

0.1295

null

1.01

null

has coordinates

Bernès, Sylvain; Aguilar, Julio César; Rodríguez de San Miguel Guerrero, Eduardo; Nuñez Gaytán, María Elena; De Gyves, Josefina Complexation of ω-thiocaprolactam with heavy metals: terminal and bridging coordination modes in cadmium and silver compounds Acta Crystallographica Section C 55(10) (1999) 1627-1631

301,791

2025-08-18

23:15:33

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7,106,449

3.919

0.005

12.184

0.005

16.985

0.005

90

0.005

94.834

0.005

90

0.005

808.1

1.1

150

0.1

150

0.1

null

4

P 1 21/n 1

-P 2yn

14

- C10 H4 Cl2 N -

- C40 H16 Cl8 N4 -

4

1

Md. Minarul Islam; Someshwar Pola; Yu-Tai Tao

High mobility n-channel single-crystal field-effect transistors based on 5,7,12,14-tetrachloro-6,13-diazapentacene

Chem.Commun.

2,011

47

6356

10.1039/c1cc11762a

0.71073

MoKα

0.0404

0.0305

null

0.0795

0.0855

null

1.056

null

has coordinates

Md. Minarul Islam; Someshwar Pola; Yu-Tai Tao High mobility n-channel single-crystal field-effect transistors based on 5,7,12,14-tetrachloro-6,13-diazapentacene Chem.Commun. 47 (2011) 6356

301,853

2025-08-21

21:50:04

#------------------------------------------------------------------------------ #$Date: 2025-08-22 00:26:11 +0300 (Fri, 22 Aug 2025) $ #$Revision: 301853 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/10/64/7106449.cif $ #-------------------------------------------------------------------...

2,009,024

7.4127

0.0008

10.1982

0.0017

10.8971

0.0011

85.969

0.011

74.899

0.008

78.473

0.012

779.15

0.18

293

2

293

2

null

4

P -1

-P 1

2

- C19 H18 N2 O -

- C38 H36 N4 O2 -

2

1

FR1194

Aygün, Muhittin; Işık, Şamil; Turgut, Zuhal; Özbey, Süheyla; Kendi, Engin

4-Ethoxy-N-(6-methylquinolin-2-ylmethylene)aniline

Acta Crystallographica Section C

1,999

55

10

1689

1690

10.1107/S0108270199007878

0.7107

MoKα

0.0717

0.0455

null

0.1158

null

0.933

null

has coordinates

Aygün, Muhittin; Işık, Şamil; Turgut, Zuhal; Özbey, Süheyla; Kendi, Engin 4-Ethoxy-N-(6-methylquinolin-2-ylmethylene)aniline Acta Crystallographica Section C 55(10) (1999) 1689-1690

301,791

2025-08-18

23:15:33

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2,009,025

10.588

0.001

12.547

0.001

28.989

0.002

90

null

90

null

90

null

3,851.1

0.5

293

2

293

2

null

3

P 21 21 21

P 2ac 2ab

19

(+)-23,24-Dinor-3α,9α-epoxy-11-oxo-5β-cholan-22-oic Acid

- C22 H32 O4 -

- C176 H256 O32 -

8

2

FR1199

Thompson, Hugh W.; Brunskill, Andrew P. J.; Lalancette, Roger A.

(+)-23,24-Dinor-3α,9α-epoxy-11-oxo-5β-cholan-22-oic acid: mutual carboxyl-to-ether dimeric hydrogen bonding in a steroidal carboxy–keto ether

Acta Crystallographica Section C

1,999

55

10

1677

1680

10.1107/S0108270199006411

1.5418

CuKα

0.062

0.051

null

0.133

null

1.03

null

has coordinates

Thompson, Hugh W.; Brunskill, Andrew P. J.; Lalancette, Roger A. (+)-23,24-Dinor-3α,9α-epoxy-11-oxo-5β-cholan-22-oic acid: mutual carboxyl-to-ether dimeric hydrogen bonding in a steroidal carboxy–keto ether Acta Crystallographica Section C 55(10) (1999) 1677-1680

301,791

2025-08-18

23:15:33

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2,009,026

11.138

0.002

18.801

0.004

19.121

0.004

90

null

90

null

90

null

4,004

1.4

293

2

293

2

null

5

P b c n

-P 2n 2ab

60

Bis(μ-acetato)-2,6-bis[(2-hydroxybenzyl)(2-pyridylmethyl)aminomethyl)- 4-methylphenolato)-di-indium(III) Nitrate DihydratE

- C39 H43 In2 N5 O12 -

- C156 H172 In8 N20 O48 -

4

0.5

GD1031

Bortoluzzi, Adailton J.; Neves, Ademir; Vencato, Ivo; Zucco, Cesar; Hörner, Manfredo

Bis(μ-acetato){μ-2,6-bis[(2-hydroxybenzyl)-(2-pyridylmethyl)aminomethyl]-4-methylphenolato}diindium(III) nitrate dihydrate

Acta Crystallographica Section C

1,999

55

10

1634

1636

10.1107/S0108270199008252

0.71073

MoKα

0.073

0.036

null

0.107

null

1.03

null

has coordinates

Bortoluzzi, Adailton J.; Neves, Ademir; Vencato, Ivo; Zucco, Cesar; Hörner, Manfredo Bis(μ-acetato){μ-2,6-bis[(2-hydroxybenzyl)-(2-pyridylmethyl)aminomethyl]-4-methylphenolato}diindium(III) nitrate dihydrate Acta Crystallographica Section C 55(10) (1999) 1634-1636

176,759

2020-10-21

18:00:00

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2,009,027

6.8848

0.0008

13.7645

0.001

29.628

0.002

90

0.006

90

0.008

90

0.008

2,807.7

0.4

293

2

293

2

null

3

P 21 21 21

P 2ac 2ab

19

2-Formyl-3-hydroxy-18Hβ-olean-2,12-dien-28-oic acid methyl ester

- C32 H48 O4 -

- C128 H192 O16 -

4

1

JZ1350

Gzella, Andrzej

Triterpenoide. XVI. 2-Formylderivate des Oleanonsäure-methylesters und Allo-betulons

Acta Crystallographica Section C

1,999

55

10

1730

1733

10.1107/S0108270199007714

1.54178

CuKα

0.0444

0.0336

null

0.097

null

1.05

null

has coordinates

Gzella, Andrzej Triterpenoide. XVI. 2-Formylderivate des Oleanonsäure-methylesters und Allo-betulons Acta Crystallographica Section C 55(10) (1999) 1730-1733

301,791

2025-08-18

23:15:33

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4,321,894

10.543

0.002

11.934

0.004

16.884

0.003

90

null

94.08

0.02

90

null

2,119

0.9

296.2

null

296.2

null

5

P 1 21/c 1

-P 2ybc

14

- C21 H15 Ag2 Cl2 O8 -

- C84 H60 Ag8 Cl8 O32 -

4

1

Gui Ling Ning; Megumu Munakata; Liang Ping Wu; Masahiko Maekawa; Takayoshi Kuroda-Sowa; Yusaku Suenaga; Kunihisa Sugimoto

Cationic Tetrasilver Complex of Hexaphenylbenzene

Inorganic Chemistry

1,999

38

1376

1377

10.1021/ic981133c

0.7107

MoKα

0.0555

null

0.0523

null

1.602

null

has coordinates

Gui Ling Ning; Megumu Munakata; Liang Ping Wu; Masahiko Maekawa; Takayoshi Kuroda-Sowa; Yusaku Suenaga; Kunihisa Sugimoto Cationic Tetrasilver Complex of Hexaphenylbenzene Inorganic Chemistry 38 (1999) 1376-1377

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/4/32/18/4321894.cif $ #-------------------------------------------------------------------...

2,009,028

6.6351

0.0008

12.7178

0.001

15.6807

0.0014

90

0.007

95

0.009

90

0.009

1,318.2

0.2

293

2

293

2

null

3

P 1 21 1

P 2yb

4

2-Formyl-19β,28-epoxy-3-hydroxy-18Hα-olean-2-ene

- C31 H48 O3 -

- C62 H96 O6 -

2

1

JZ1350

Gzella, Andrzej

Triterpenoide. XVI. 2-Formylderivate des Oleanonsäure-methylesters und Allo-betulons

Acta Crystallographica Section C

1,999

55

10

1730

1733

10.1107/S0108270199007714

1.54178

CuKα

0.053

0.0368

null

0.1097

null

1.049

null

has coordinates

Gzella, Andrzej Triterpenoide. XVI. 2-Formylderivate des Oleanonsäure-methylesters und Allo-betulons Acta Crystallographica Section C 55(10) (1999) 1730-1733

301,791

2025-08-18

23:15:33

#------------------------------------------------------------------------------ #$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/2/00/90/2009028.cif $ #-------------------------------------------------------------------...

2,009,029

8.3779

0.0005

10.7496

0.0008

8.3805

0.0005

90

null

101.099

0.006

90

null

740.62

0.08

293

2

293

2

null

4

P 1 21 1

P 2yb

4

(7S)-(7α,7aα,14α,14aβ)-1,3,4,7,7a,8,9,10,11,13,14,14a-Dodecahydro-7,14- methano-2H,6H-dipyrido[1,2-a:1',2'-e][1,5]diazocin-5-ium bromide

- C15 H27 Br N2 -

- C30 H54 Br2 N4 -

2

1

KA1317

Alessandra Farina; Stefano Valdo Meille; Maria Teresa Messina; Pierangelo Metrangolo; Giuseppe Resnati

(–)-Sparteinium bromide

Acta Crystallographica Section C

1,999

55

10

1710

1711

10.1107/S0108270199008185

1.54178

CuKα

0.091

0.079

null

0.228

null

1.099

null

has coordinates,has Fobs

Alessandra Farina; Stefano Valdo Meille; Maria Teresa Messina; Pierangelo Metrangolo; Giuseppe Resnati (–)-Sparteinium bromide Acta Crystallographica Section C 55(10) (1999) 1710-1711

301,791

2025-08-18

23:15:33

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2,009,030

21.432

0.004

8.158

0.001

9.515

0.002

90

null

92.95

0.02

90

null

1,661.4

0.5

293

2

293

2

null

6

C 1 2/c 1

-C 2yc

15

- C17 H14 Br2 Cu N2 O2 -

- C68 H56 Br8 Cu4 N8 O8 -

4

0.5

LN1075

Kabak, Mehmet; Elmali, Ayhan; Kavlakoǧlu, Ebru; Elerman, Yalc̨ın; Durlu, T. Nuri

[N,N'-Bis(5-bromosalicylidene)-1,3-diaminopropane]copper(II)

Acta Crystallographica Section C

1,999

55

10

1650

1652

10.1107/S0108270199008331

0.71069

MoKα

0.128

0.052

null

0.154

null

1.16

null

has coordinates,has Fobs

Kabak, Mehmet; Elmali, Ayhan; Kavlakoǧlu, Ebru; Elerman, Yalc̨ın; Durlu, T. Nuri [N,N'-Bis(5-bromosalicylidene)-1,3-diaminopropane]copper(II) Acta Crystallographica Section C 55(10) (1999) 1650-1652

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/2/00/90/2009030.cif $ #-------------------------------------------------------------------...

2,009,031

11.848

0.002

7.9903

0.0015

18.29

0.007

90

null

95.59

0.03

90

null

1,723.3

0.8

293

3

293

3

null

6

P 1 21/a 1

-P 2yab

14

[Benzoylacetone S-methylisothiosemicarbazonato(2-)]pyridinenickel(II)

- C17 H18 N4 Ni O S -

- C68 H72 N16 Ni4 O4 S4 -

4

1

NA1411

Bogdanović, Goran A.; Spasojević-de Biré, Anne; Leovac, Vukadin M.; Češljević, Valerija I.

Transition metal complexes with thiosemicarbazide-based ligands. XXXIX. [Benzoylacetone 3-methylisothiosemicarbazonato(2 –)-O,N^1^,N^4^](pyridine-N)nickel(II)

Acta Crystallographica Section C

1,999

55

10

1656

1658

10.1107/S0108270199004746

0.71073

MoKα

0.077

0.033

null

0.101

null

0.09

null

1.021

null

1.194

null

has coordinates

Bogdanović, Goran A.; Spasojević-de Biré, Anne; Leovac, Vukadin M.; Češljević, Valerija I. Transition metal complexes with thiosemicarbazide-based ligands. XXXIX. [Benzoylacetone 3-methylisothiosemicarbazonato(2 –)-O,N^1^,N^4^](pyridine-N)nickel(II) Acta Crystallographica Section C 55(10) (1...

301,791

2025-08-18

23:15:33

#------------------------------------------------------------------------------ #$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/2/00/90/2009031.cif $ #-------------------------------------------------------------------...

2,009,032

9.6808

0.0001

11.4468

0.0002

19.8557

0.0001

100.047

0.001

95.804

0.001

90.318

0.001

2,154.84

0.05

293

2

293

2

null

4

P -1

-P 1

2

5-amino-4-(4-methoxyphenyl)-2-phenyl-7-(pyrrolidin-1-yl)-1,6-naphthyridine-8-carbonitrile

- C26 H23 N5 O -

- C104 H92 N20 O4 -

4

2

NA1423

R.Sankaranarayanan; S.Shanmuga Sundara Raj; D.Velmurugan; Hoong-Kun Fun; V.Raghukumar; V.T.Ramakrishnan

5-Amino-4-(4-methoxyphenyl)-2-phenyl-7-(pyrrolidin-1-yl)-1,6-naphthyridine-8-carbonitrile

Acta Crystallographica Section C

1,999

55

10

1670

1672

10.1107/S0108270199007829

0.71073

MoKα

0.1071

0.0622

null

0.1603

null

1.084

null

has coordinates

R.Sankaranarayanan; S.Shanmuga Sundara Raj; D.Velmurugan; Hoong-Kun Fun; V.Raghukumar; V.T.Ramakrishnan 5-Amino-4-(4-methoxyphenyl)-2-phenyl-7-(pyrrolidin-1-yl)-1,6-naphthyridine-8-carbonitrile Acta Crystallographica Section C 55(10) (1999) 1670-1672

303,291

2025-11-13

8:09:35

#------------------------------------------------------------------------------ #$Date: 2025-11-13 10:09:35 +0200 (Thu, 13 Nov 2025) $ #$Revision: 303291 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/90/2009032.cif $ #-------------------------------------------------------------------...

4,321,893

23.505

0.007

8.118

0.007

15.578

0.007

90

null

112.52

0.03

90

null

2,746

3

293.2

null

293.2

null

5

C 1 2/c 1

-C 2yc

15

- C18 H42 N8 Ni2 O10 -

- C72 H168 N32 Ni8 O40 -

4

0.5

Peter Comba; Sergey P. Gavrish; Robert W. Hay; Peter Hilfenhaus; Yaroslaw D. Lampeka; Philip Lightfoot; Alexander Peters

Structural Variation of Dinuclear Transition Metal Compounds with a Common Type of Ligand: Solid State and Solution Structures and Model Studies

Inorganic Chemistry

1,999

38

1416

1421

10.1021/ic9807184

0.7107

MoKalpha

null

0.052

null

0.046

null

3.596

null

has coordinates,has Fobs

Peter Comba; Sergey P. Gavrish; Robert W. Hay; Peter Hilfenhaus; Yaroslaw D. Lampeka; Philip Lightfoot; Alexander Peters Structural Variation of Dinuclear Transition Metal Compounds with a Common Type of Ligand: Solid State and Solution Structures and Model Studies Inorganic Chemistry 38 (1999) 1416-1421

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/4/32/18/4321893.cif $ #-------------------------------------------------------------------...

2,009,033

7.5352

0.0011

9.2242

0.0012

23.1197

0.0013

90

null

90

null

90

null

1,607

0.3

293

2

null

5

P b n m

-P 2c 2ab

62

- C17 H18 Cu N2 O3 -

- C68 H72 Cu4 N8 O12 -

4

0.5

NA1424

Arıcı, Cengiz; Ercan, Filiz; Atakol, Orhan; Cakırer, Orhan

Aqua[N,N'-bis(salicylidene)-1,3-propanediaminato]copper(II)

Acta Crystallographica Section C

1,999

55

10

1654

1655

10.1107/S010827019900894X

0.71073

MoKα

null

0.046

null

0.063

null

1.07

null

has coordinates

Arıcı, Cengiz; Ercan, Filiz; Atakol, Orhan; Cakırer, Orhan Aqua[N,N'-bis(salicylidene)-1,3-propanediaminato]copper(II) Acta Crystallographica Section C 55(10) (1999) 1654-1655

301,791

2025-08-18

23:15:33

#------------------------------------------------------------------------------ #$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/2/00/90/2009033.cif $ #-------------------------------------------------------------------...

2,009,034

9.0587

0.0002

10.2616

0.0002

10.3295

0.0002

79.104

0.001

64.898

0.001

65.456

0.001

790.85

0.03

293

2

293

2

null

6

P -1

-P 1

2

N-methyl-[o-iodo-p-chloro phenyl]cinnamamide

- C16 H13 Cl I N O -

- C32 H26 Cl2 I2 N2 O2 -

2

1

NA1426

S. Renganayaki; E. Subramanian; S. Shanmuga Sundara Raj; Hoong-Kun Fun

N-(4-Chloro-2-iodophenyl)-N-methylcinnamamide

Acta Crystallographica Section C

1,999

55

10

1672

1673

10.1107/S010827019900791X

0.71073

MoKα

0.048

0.041

null

0.114

null

1.042

null

has coordinates

S. Renganayaki; E. Subramanian; S. Shanmuga Sundara Raj; Hoong-Kun Fun N-(4-Chloro-2-iodophenyl)-N-methylcinnamamide Acta Crystallographica Section C 55(10) (1999) 1672-1673

301,791

2025-08-18

23:15:33

#------------------------------------------------------------------------------ #$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/2/00/90/2009034.cif $ #-------------------------------------------------------------------...

2,009,035

9.608

0.001

10.742

0.001

14.468

0.001

107.121

0.001

102.757

0.001

104.349

0.001

1,311.1

0.2

298

null

5

P 1

1

- C62 H66 N8 O2 Si -

1

NA1427

Decréau, Richard; Julliard, Michel; Giorgi, Michel

Bis(epi-globulyloxy)(phthalocyaninato)silicon, a new photosensitizer for the photodynamic therapy of cancer

Acta Crystallographica Section C

1,999

55

10

1717

1719

10.1107/S0108270199008677

0.71073

MoKα

null

0.062

null

0.114

null

1.0181

null

has coordinates

Decréau, Richard; Julliard, Michel; Giorgi, Michel Bis(epi-globulyloxy)(phthalocyaninato)silicon, a new photosensitizer for the photodynamic therapy of cancer Acta Crystallographica Section C 55(10) (1999) 1717-1719

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/2/00/90/2009035.cif $ #-------------------------------------------------------------------...

4,321,892

9.988

0.003

17.753

0.002

19.456

0.003

90

null

101.16

0.02

90

null

3,384.6

1.2

293

2

293

2

null

6

P 1 21/a 1

-P 2yab

14

- C24 H54 Li N6 Sb Te2 -

- C24 H54 N6 Sb1.059 Te2 -

- C96 H216 N24 Sb4.236 Te8 -

4

1

Tristram Chivers; Masood Parvez; Gabriele Schatte; Glenn P. A. Yap

Homoleptic Bismuth and Antimony Complexes of the Tripodal [Te(NtBu)3]2- Anion

Inorganic Chemistry

1,999

38

1380

1381

10.1021/ic9814322

0.71069

MoKα

0.2118

0.0531

null

0.1143

0.1689

null

0.956

null

has coordinates,has disorder

Tristram Chivers; Masood Parvez; Gabriele Schatte; Glenn P. A. Yap Homoleptic Bismuth and Antimony Complexes of the Tripodal [Te(NtBu)3]2- Anion Inorganic Chemistry 38 (1999) 1380-1381

179,321

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:18:08 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179321 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/18/4321892.cif $ #-------------------------------------------------------------------...

2,009,036

8.8298

0.0003

9.6918

0.0003

10.5786

0.0003

97.81

0.001

111.192

0.001

105.25

0.001

787.04

0.04

293

2

293

2

null

7

P -1

-P 1

2

Dichlorobis(dimethylformamide-O)bis(4-nitrobenzaldehyde thiosemicarbazone-S) cadmium(II)

- C22 H30 Cd Cl2 N10 O6 S2 -

1

0.5

NA1428

Yu-Peng Tian; Jie-Ying Wu; Fu-Xin Xie; S. Shanmuga Sundara Raj; Ping Yang; Hoong-Kun Fun

Dichlorobis(dimethylformamide-O)bis(4-nitrobenzaldehyde thiosemicarbazone-S)cadmium(II)

Acta Crystallographica Section C

1,999

55

10

1641

1644

10.1107/S010827019900815X

0.71073

MoKα

0.025

0.024

null

0.064

null

1.037

null

has coordinates

Yu-Peng Tian; Jie-Ying Wu; Fu-Xin Xie; S. Shanmuga Sundara Raj; Ping Yang; Hoong-Kun Fun Dichlorobis(dimethylformamide-O)bis(4-nitrobenzaldehyde thiosemicarbazone-S)cadmium(II) Acta Crystallographica Section C 55(10) (1999) 1641-1644

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/2/00/90/2009036.cif $ #-------------------------------------------------------------------...

2,009,037

14.577

0.003

10.875

0.002

23.985

0.005

90

null

90.4

0.05

90

null

3,802.1

1.3

293

2

293

2

null

5

P 1 21/n 1

-P 2yn

14

Tetraphenylarsonium diazotriphenylstannate.

- C42 H35 As N6 Sn -

- C168 H140 As4 N24 Sn4 -

4

1

NA1430

Franco Benetollo; Gabriella Bombieri; Giuseppe Alonzo; Nuccio Bertazzi

Tetraphenylarsonium diazidotriphenylstannate

Acta Crystallographica Section C

1,999

55

10

1664

1665

10.1107/S0108270199008951

0.71073

MoKα

0.0647

0.0503

null

0.1279

null

1.29

null

has coordinates

Franco Benetollo; Gabriella Bombieri; Giuseppe Alonzo; Nuccio Bertazzi Tetraphenylarsonium diazidotriphenylstannate Acta Crystallographica Section C 55(10) (1999) 1664-1665

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/2/00/90/2009037.cif $ #-------------------------------------------------------------------...

2,009,038

6.629

0.001

16.35

0.001

5.328

0.001

95.78

0.02

109.9

0.02

80.3

0.02

534.64

0.15

297

null

3

P -1

-P 1

2

4-Methylbicyclo[6.3.0]undecane-2,6-dione

- C12 H18 O2 -

- C24 H36 O4 -

2

1

OA1088

Umehara, Misao; Hosomi, Hiroyuki; Ohba, Shigeru

4-Methylbicyclo[6.3.0]undecane-2,6-dione, (I), 7-bromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (II), 7-acetonyl-4-methylbicyclo[6.3.0]undecane-2,6-dione, (III), and 8-methyltricyclo[9.3.0.0^2,6^]tetradec-5-ene-4,10-dione, (IV)

Acta Crystallographica Section C

1,999

55

10

1721

1725

10.1107/S0108270199007088

0.71073

MoKα

null

0.058

null

0.069

null

1.05

null

has coordinates

Umehara, Misao; Hosomi, Hiroyuki; Ohba, Shigeru 4-Methylbicyclo[6.3.0]undecane-2,6-dione, (I), 7-bromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (II), 7-acetonyl-4-methylbicyclo[6.3.0]undecane-2,6-dione, (III), and 8-methyltricyclo[9.3.0.0^2,6^]tetradec-5-ene-4,10-dione, (IV) Acta Crystallographica Section C 55(10) (19...

301,791

2025-08-18

23:15:33

#------------------------------------------------------------------------------ #$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/2/00/90/2009038.cif $ #-------------------------------------------------------------------...

4,321,891

9.833

0.004

34.665

0.009

10.099

0.004

90

null

103.497

0.005

90

null

3,347

2

203

2

203

2

null

6

P 1 21/c 1

-P 2ybc

14

- C24 H54 Bi Li N6 Te2 -

- C24 H54 Bi1.036 N6 Te2 -

- C96 H216 Bi4.144 N24 Te8 -

4

1

Tristram Chivers; Masood Parvez; Gabriele Schatte; Glenn P. A. Yap

Homoleptic Bismuth and Antimony Complexes of the Tripodal [Te(NtBu)3]2- Anion

Inorganic Chemistry

1,999

38

1380

1381

10.1021/ic9814322

0.71073

MoKα

0.0848

0.046

null

0.0844

0.0902

null

0.908

null

has coordinates

Tristram Chivers; Masood Parvez; Gabriele Schatte; Glenn P. A. Yap Homoleptic Bismuth and Antimony Complexes of the Tripodal [Te(NtBu)3]2- Anion Inorganic Chemistry 38 (1999) 1380-1381

179,321

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:18:08 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179321 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/18/4321891.cif $ #-------------------------------------------------------------------...

2,009,039

7.442

0.001

14.747

0.003

5.586

0.002

92.84

0.02

101.39

0.02

87.87

0.02

600

0.3

298

null

4

P -1

-P 1

2

7-Bromo-4-methylbicyclo[6.3.0]undecane-2,6-dione

- C12 H17 Br O2 -

- C24 H34 Br2 O4 -

2

1

OA1088

Umehara, Misao; Hosomi, Hiroyuki; Ohba, Shigeru

4-Methylbicyclo[6.3.0]undecane-2,6-dione, (I), 7-bromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (II), 7-acetonyl-4-methylbicyclo[6.3.0]undecane-2,6-dione, (III), and 8-methyltricyclo[9.3.0.0^2,6^]tetradec-5-ene-4,10-dione, (IV)

Acta Crystallographica Section C

1,999

55

10

1721

1725

10.1107/S0108270199007088

0.71073

MoKα

null

0.042

null

0.049

null

1.07

null

has coordinates

Umehara, Misao; Hosomi, Hiroyuki; Ohba, Shigeru 4-Methylbicyclo[6.3.0]undecane-2,6-dione, (I), 7-bromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (II), 7-acetonyl-4-methylbicyclo[6.3.0]undecane-2,6-dione, (III), and 8-methyltricyclo[9.3.0.0^2,6^]tetradec-5-ene-4,10-dione, (IV) Acta Crystallographica Section C 55(10) (19...

301,791

2025-08-18

23:15:33

#------------------------------------------------------------------------------ #$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/2/00/90/2009039.cif $ #-------------------------------------------------------------------...

2,009,040

11.331

0.004

13.315

0.002

9.298

0.002

101.44

0.01

105.67

0.02

77.15

0.02

1,302.5

0.6

297

null

3

P -1

-P 1

2

8-Methyltricyclo[9.3.0.0^2,6^]tetradec-5-ene-4,10-dione

- C15 H20 O2 -

- C60 H80 O8 -

4

2

OA1088

Umehara, Misao; Hosomi, Hiroyuki; Ohba, Shigeru

4-Methylbicyclo[6.3.0]undecane-2,6-dione, (I), 7-bromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (II), 7-acetonyl-4-methylbicyclo[6.3.0]undecane-2,6-dione, (III), and 8-methyltricyclo[9.3.0.0^2,6^]tetradec-5-ene-4,10-dione, (IV)

Acta Crystallographica Section C

1,999

55

10

1721

1725

10.1107/S0108270199007088

0.71073

MoKα

null

0.052

null

0.058

null

1

null

has coordinates

Umehara, Misao; Hosomi, Hiroyuki; Ohba, Shigeru 4-Methylbicyclo[6.3.0]undecane-2,6-dione, (I), 7-bromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (II), 7-acetonyl-4-methylbicyclo[6.3.0]undecane-2,6-dione, (III), and 8-methyltricyclo[9.3.0.0^2,6^]tetradec-5-ene-4,10-dione, (IV) Acta Crystallographica Section C 55(10) (19...

301,791

2025-08-18

23:15:33

#------------------------------------------------------------------------------ #$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/2/00/90/2009040.cif $ #-------------------------------------------------------------------...

2,009,041

7.874

0.002

21.134

0.003

9.22

0.003

90

null

114

0.02

90

null

1,401.6

0.6

297

null

3

P 1 21/n 1

-P 2yn

14

7-Acetonyl-4-methylbicyclo[6.3.0]undecane-2,6-dione

- C15 H22 O3 -

- C60 H88 O12 -

4

1

OA1088

Umehara, Misao; Hosomi, Hiroyuki; Ohba, Shigeru

4-Methylbicyclo[6.3.0]undecane-2,6-dione, (I), 7-bromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (II), 7-acetonyl-4-methylbicyclo[6.3.0]undecane-2,6-dione, (III), and 8-methyltricyclo[9.3.0.0^2,6^]tetradec-5-ene-4,10-dione, (IV)

Acta Crystallographica Section C

1,999

55

10

1721

1725

10.1107/S0108270199007088

0.71073

MoKα

null

0.053

null

0.063

null

1.07

null

has coordinates

Umehara, Misao; Hosomi, Hiroyuki; Ohba, Shigeru 4-Methylbicyclo[6.3.0]undecane-2,6-dione, (I), 7-bromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (II), 7-acetonyl-4-methylbicyclo[6.3.0]undecane-2,6-dione, (III), and 8-methyltricyclo[9.3.0.0^2,6^]tetradec-5-ene-4,10-dione, (IV) Acta Crystallographica Section C 55(10) (19...

301,791

2025-08-18

23:15:33

#------------------------------------------------------------------------------ #$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/2/00/90/2009041.cif $ #-------------------------------------------------------------------...

4,321,890

13.3707

0.0009

13.876

0.002

15.115

0.002

67.049

0.009

69.073

0.007

80.748

0.009

2,411.2

0.5

293

2

293

2

null

7

P -1

-P 1

2

- C61 H71 Cu Fe N2 O P3 -

- C48 H66 Cu Fe N2 O2 P2 -

- C96 H132 Cu2 Fe2 N4 O4 P4 -

2

1

Donald J. Darensbourg; Way-Zen Lee; M. Jason Adams; David L. Larkins; Joseph H. Reibenspies

Diamond-Shaped Heterometallic Complexes of Iron(II) and Copper(I) Bridged by Cyanide Groups

Inorganic Chemistry

1,999

38

1378

1379

10.1021/ic981419h

0.71073

MoKα

0.1726

0.084

null

0.3328

0.2334

null

0.862

0.856

null

has coordinates

Donald J. Darensbourg; Way-Zen Lee; M. Jason Adams; David L. Larkins; Joseph H. Reibenspies Diamond-Shaped Heterometallic Complexes of Iron(II) and Copper(I) Bridged by Cyanide Groups Inorganic Chemistry 38 (1999) 1378-1379

179,321

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:18:08 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179321 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/18/4321890.cif $ #-------------------------------------------------------------------...

2,009,042

8.668

0.004

18.944

0.002

18.196

0.001

90

null

90

null

90

null

2,987.9

1.4

296.2

null

296.2

null

6

P b c m

-P 2c 2b

57

tetrakis(isopropylthio)-p-benzoquinonesilver(I) perchlorate

- C21 H34 Ag Cl O7 S4 -

- C84 H136 Ag4 Cl4 O28 S16 -

4

0.5

OB1009

Suenaga, Yusaku; Kuroda-Sowa, Takayoshi; Maekawa, Masahiko; Munakata, Megumu

A linear-chain silver(I) coordination polymer with tetrakis(isopropylthio)-p-benzoquinone

Acta Crystallographica Section C

1,999

55

10

1623

1625

10.1107/S0108270199005624

0.7107

MoKα

0.193

0.0698

null

0.1899

null

1.02

null

has coordinates

Suenaga, Yusaku; Kuroda-Sowa, Takayoshi; Maekawa, Masahiko; Munakata, Megumu A linear-chain silver(I) coordination polymer with tetrakis(isopropylthio)-p-benzoquinone Acta Crystallographica Section C 55(10) (1999) 1623-1625

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/2/00/90/2009042.cif $ #-------------------------------------------------------------------...

2,009,043

4.976

0.001

5.1968

0.0008

27.955

0.003

90

null

93.82

0.01

90

null

721.3

0.2

298.2

null

298.2

null

3

P 1 21/n 1

-P 2yn

14

tetradecane-1,14-diol

- C14 H30 O2 -

- C28 H60 O4 -

2

0.5

OB1010

Naotake Nakamura; Taketoshi Sato

1,14-Tetradecanediol

Acta Crystallographica Section C

1,999

55

10

1687

1689

10.1107/S0108270199008112

1.5418

CuKα

0.056

0.05

null

0.109

null

0.097

null

1.8

null

1.77

null

has coordinates

Naotake Nakamura; Taketoshi Sato 1,14-Tetradecanediol Acta Crystallographica Section C 55(10) (1999) 1687-1689

301,791

2025-08-18

23:15:33

#------------------------------------------------------------------------------ #$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/2/00/90/2009043.cif $ #-------------------------------------------------------------------...

2,009,044

3.952

0.001

19.95

0.01

9.551

0.004

90

null

96.6

0.03

90

null

748

0.5

296

null

296

null

5

P 1 21/c 1

-P 2ybc

14

- C14 H10 Cl2 N4 O4 -

- C28 H20 Cl4 N8 O8 -

2

0.5

OB1011

Ishida, Hiroyuki; Kashino, Setsuo

1:2 Complexes of chloranilic acid with pyrimidine and pyrazine

Acta Crystallographica Section C

1,999

55

10

1714

1717

10.1107/S010827019900709X

0.71073

MoKα

0.048

0.045

null

0.091

null

0.083

null

1.65

null

1.65

null

has coordinates

Ishida, Hiroyuki; Kashino, Setsuo 1:2 Complexes of chloranilic acid with pyrimidine and pyrazine Acta Crystallographica Section C 55(10) (1999) 1714-1717

301,791

2025-08-18

23:15:33

#------------------------------------------------------------------------------ #$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/2/00/90/2009044.cif $ #-------------------------------------------------------------------...

2,009,045

3.8283

0.0007

18.514

0.005

10.795

0.003

90

null

94.48

0.02

90

null

762.8

0.3

296

null

296

null

5

P 1 21/n 1

-P 2yn

14

- C14 H10 Cl2 N4 O4 -

- C28 H20 Cl4 N8 O8 -

2

0.5

OB1011

Ishida, Hiroyuki; Kashino, Setsuo

1:2 Complexes of chloranilic acid with pyrimidine and pyrazine

Acta Crystallographica Section C

1,999

55

10

1714

1717

10.1107/S010827019900709X

0.71073

MoKα

0.117

0.065

null

0.092

null

0.061

null

1.37

null

1.37

null

has coordinates

Ishida, Hiroyuki; Kashino, Setsuo 1:2 Complexes of chloranilic acid with pyrimidine and pyrazine Acta Crystallographica Section C 55(10) (1999) 1714-1717

301,791

2025-08-18

23:15:33

#------------------------------------------------------------------------------ #$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/2/00/90/2009045.cif $ #-------------------------------------------------------------------...

4,321,889

9.615

0.008

10.7

0.011

14.918

0.011

84.06

0.07

82.86

0.06

75.56

0.08

1,471

2

293

2

293

2

null

8

P -1

-P 1

2

- C27 H40 Cl2 Cu Fe N2 O P -

- C54 H80 Cl4 Cu2 Fe2 N4 O2 P2 -

2

1

Donald J. Darensbourg; Way-Zen Lee; M. Jason Adams; David L. Larkins; Joseph H. Reibenspies

Diamond-Shaped Heterometallic Complexes of Iron(II) and Copper(I) Bridged by Cyanide Groups

Inorganic Chemistry

1,999

38

1378

1379

10.1021/ic981419h

0.71073

MoKα

0.0514

0.0384

null

0.1311

0.0934

null

1.015

1.035

null

has coordinates

Donald J. Darensbourg; Way-Zen Lee; M. Jason Adams; David L. Larkins; Joseph H. Reibenspies Diamond-Shaped Heterometallic Complexes of Iron(II) and Copper(I) Bridged by Cyanide Groups Inorganic Chemistry 38 (1999) 1378-1379

179,321

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:18:08 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179321 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/18/4321889.cif $ #-------------------------------------------------------------------...

2,009,046

5.29

0.004

18.214

0.006

6.781

0.003

90

null

111.66

0.04

90

null

607.2

0.6

295

null

4

P 1 21/n 1

-P 2yn

14

Sodium hydrogen trans-1-propene-1,3-dicarboxylate

- C5 H5 Na O4 -

- C20 H20 Na4 O16 -

4

1

OB1012

Taka, Jun-ichiro; Kashino, Setsuo

Sodium hydrogen trans-glutaconate and ammonium hydrogen trans-glutaconate

Acta Crystallographica Section C

1,999

55

10

1620

1623

10.1107/S0108270199008458

0.71073

MoKα

null

0.069

null

0.06

null

1.14

null

has coordinates

Taka, Jun-ichiro; Kashino, Setsuo Sodium hydrogen trans-glutaconate and ammonium hydrogen trans-glutaconate Acta Crystallographica Section C 55(10) (1999) 1620-1623

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/2/00/90/2009046.cif $ #-------------------------------------------------------------------...

2,009,047

10.669

0.005

18.479

0.006

7.28

0.006

90

null

90

null

90

null

1,435.3

1.4

295

null

4

I b a m

-I 2 2c

72

Ammonium hydrogen trans-1-propene-1,3-dicarboxylate

- C5 H9 N O4 -

- C40 H72 N8 O32 -

8

0.5

OB1012

Taka, Jun-ichiro; Kashino, Setsuo

Sodium hydrogen trans-glutaconate and ammonium hydrogen trans-glutaconate

Acta Crystallographica Section C

1,999

55

10

1620

1623

10.1107/S0108270199008458

0.71073

MoKα

null

0.077

null

0.067

null

1.51

null

has coordinates

Taka, Jun-ichiro; Kashino, Setsuo Sodium hydrogen trans-glutaconate and ammonium hydrogen trans-glutaconate Acta Crystallographica Section C 55(10) (1999) 1620-1623

301,791

2025-08-18

23:15:33

#------------------------------------------------------------------------------ #$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/2/00/90/2009047.cif $ #-------------------------------------------------------------------...

2,009,048

9.152

0.001

20.886

0.001

9.555

0.001

90

null

97.57

0.01

90

null

1,810.5

0.3

296

2

296

2

null

5

P 1 21/a 1

-P 2yab

14

- C14 H28 N2 O7 Pt -

- C56 H112 N8 O28 Pt4 -

4

1

OB1013

Yuge, Hidetaka; Miyamoto, Takeshi Ken

Bis(cyclohexane-1,3-dionato)-C^2^,O^1^-(ethylenediamine-N,N')platinum(II) trihydrate and bis(cyclohexane-1,3-dionato)-C^2^,O^1^-(N,N-dimethylethylenediamine-N,N')platinum(II)

Acta Crystallographica Section C

1,999

55

10

1617

1620

10.1107/S0108270199008069

0.71069

MoKα

0.041

0.025

null

0.058

null

1.037

null

has coordinates,has disorder

Yuge, Hidetaka; Miyamoto, Takeshi Ken Bis(cyclohexane-1,3-dionato)-C^2^,O^1^-(ethylenediamine-N,N')platinum(II) trihydrate and bis(cyclohexane-1,3-dionato)-C^2^,O^1^-(N,N-dimethylethylenediamine-N,N')platinum(II) Acta Crystallographica Section C 55(1...

301,791

2025-08-18

23:15:33

#------------------------------------------------------------------------------ #$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/2/00/90/2009048.cif $ #-------------------------------------------------------------------...

2,009,049

12.63

0.003

14.938

0.003

9.276

0.001

90

null

90

null

90

null

1,750.1

0.6

296

2

296

2

null

5

P 21 21 21

P 2ac 2ab

19

- C16 H26 N2 O4 Pt -

- C64 H104 N8 O16 Pt4 -

4

1

OB1013

Yuge, Hidetaka; Miyamoto, Takeshi Ken

Bis(cyclohexane-1,3-dionato)-C^2^,O^1^-(ethylenediamine-N,N')platinum(II) trihydrate and bis(cyclohexane-1,3-dionato)-C^2^,O^1^-(N,N-dimethylethylenediamine-N,N')platinum(II)

Acta Crystallographica Section C

1,999

55

10

1617

1620

10.1107/S0108270199008069

0.71069

MoKα

0.036

0.029

null

0.068

null

1.021

null

has coordinates

Yuge, Hidetaka; Miyamoto, Takeshi Ken Bis(cyclohexane-1,3-dionato)-C^2^,O^1^-(ethylenediamine-N,N')platinum(II) trihydrate and bis(cyclohexane-1,3-dionato)-C^2^,O^1^-(N,N-dimethylethylenediamine-N,N')platinum(II) Acta Crystallographica Section C 55(1...

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/2/00/90/2009049.cif $ #-------------------------------------------------------------------...

2,009,050

8.9499

0.0012

9.2513

0.0009

8.6473

0.0011

115.764

0.008

99.704

0.011

98.247

0.011

616.35

0.15

298

2

298

2

null

6

P -1

-P 1

2

- C8 H34 Al2 N6 O16 P4 -

1

0.5

OH1114

Sugiyama, Kazumasa; Hiraga, Kenji; Yu, Jihong; Zheng, Shan; Qiu, Shilun; Xu, Ruren; Terasaki, Osamu

A one-dimensionally extended chain aluminophosphate

Acta Crystallographica Section C

1,999

55

10

1615

1617

10.1107/S0108270199000360

0.71069

MoKα

0.0674

0.0428

null

0.1033

null

1.04

null

has coordinates

Sugiyama, Kazumasa; Hiraga, Kenji; Yu, Jihong; Zheng, Shan; Qiu, Shilun; Xu, Ruren; Terasaki, Osamu A one-dimensionally extended chain aluminophosphate Acta Crystallographica Section C 55(10) (1999) 1615-1617

249,787

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2020-03-27 12:18:32 +0200 (Fri, 27 Mar 2020) $ #$Revision: 249787 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/90/2009050.cif $ #-------------------------------------------------------------------...

4,321,888

17.669

0.005

31.884

0.003

14.686

0.004

90

null

105.03

0.01

90

null

7,990

3

173

2

173

2

null

9

P 1 21/n 1

-P 2yn

14

- C78 H104 B F4 Li N4 O7 P4 Pt2 -

- C312 H416 B4 F16 Li4 N16 O28 P16 Pt8 -

4

1

Jian Jun Li; Wei Li; Alan J. James; Todd Holbert; Tristan P. Sharp; Paul R. Sharp

Phosphine-Based Dinuclear Platinum(II) Diamido, Amido-Hydroxo, Oxo-Amido, Oxo-Imido, Diimido, and Dihydrazido Complexes1

Inorganic Chemistry

1,999

38

1563

1572

10.1021/ic981246w

0.7107

MoKα

0.1108

0.0525

null

0.1382

0.1593

null

1.112

null

has coordinates

Jian Jun Li; Wei Li; Alan J. James; Todd Holbert; Tristan P. Sharp; Paul R. Sharp Phosphine-Based Dinuclear Platinum(II) Diamido, Amido-Hydroxo, Oxo-Amido, Oxo-Imido, Diimido, and Dihydrazido Complexes1 Inorganic Chemistry 38 (1999) 1563-1572

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/4/32/18/4321888.cif $ #-------------------------------------------------------------------...

2,009,051

8.0257

0.0001

25.8793

0.0003

12.1196

0.0001

90

null

94.7901

0.0002

90

null

2,508.44

0.05

203

2

203

2

null

5

P 1 21/n 1

-P 2yn

14

(2-Chloroethyl)diisopropylammonium Tetrachlorocobaltate(II)

- C16 H38 Cl6 Co N2 -

- C64 H152 Cl24 Co4 N8 -

4

1

OS1065

Mahmoudkhani, Amir H.; Langer, Vratislav

Bis[(2-chloroethyl)diisopropylammonium] tetrachlorocobaltate(II)

Acta Crystallographica Section C

1,999

55

10

1631

1634

10.1107/S0108270199007362

0.71073

MoKα

0.07

0.045

null

0.111

null

1.021

null

has coordinates,has disorder

Mahmoudkhani, Amir H.; Langer, Vratislav Bis[(2-chloroethyl)diisopropylammonium] tetrachlorocobaltate(II) Acta Crystallographica Section C 55(10) (1999) 1631-1634

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/2/00/90/2009051.cif $ #-------------------------------------------------------------------...

2,009,052

7.4986

0.0015

11.574

0.002

20.032

0.004

90

null

90

null

90

null

1,738.6

0.6

293

2

293

2

null

3

P 21 21 21

P 2ac 2ab

19

Hedychenone

4-[2-(3-furanyl)ethenyl]-4a,5,6,7,8,8a-hexahydro-3,4a,8,8-tetramethyl- 1(4H)-naphthalenone (Chem. Abs. name)

- C20 H26 O2 -

- C80 H104 O8 -

4

1

QA0128

Liu, Xiu-Hua; Wang, Wenling; He, Zhen-Dan; Wang, Han-Qing; Yang, Chong-Ren; Chen, Bosen

Hedychenone from Hedychium Yunnanense Gagnep

Acta Crystallographica Section C

1,999

55

10

IUC9900129

10.1107/S0108270199098649

0.71073

MoKα

0.066

0.059

null

0.155

null

1.106

null

has coordinates

Liu, Xiu-Hua; Wang, Wenling; He, Zhen-Dan; Wang, Han-Qing; Yang, Chong-Ren; Chen, Bosen Hedychenone from Hedychium Yunnanense Gagnep Acta Crystallographica Section C 55(10) (1999) IUC9900129

301,791

2025-08-18

23:15:33

#------------------------------------------------------------------------------ #$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/2/00/90/2009052.cif $ #-------------------------------------------------------------------...

2,009,053

7.255

0.001

10.741

0.002

11.115

0.002

90

null

100.142

0.014

90

null

852.6

0.3

298

null

298

null

5

P 1 21/n 1

-P 2yn

14

- H16 Na2 O20 P4 Zn -

- H32 Na4 O40 P8 Zn2 -

2

0.5

QA0160

Harrison, William T. A.

A sodium zinc phosphate hydrate, Na~2~Zn(H~2~PO~4~)~4~^.^4H~2~O

Acta Crystallographica Section C

1,999

55

10

IUC9900113

10.1107/S0108270199098789

0.71073

MoKα

null

0.038

null

0.035

null

1.05

null

has coordinates

Harrison, William T. A. A sodium zinc phosphate hydrate, Na~2~Zn(H~2~PO~4~)~4~^.^4H~2~O Acta Crystallographica Section C 55(10) (1999) IUC9900113

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/2/00/90/2009053.cif $ #-------------------------------------------------------------------...

2,009,054

7.6438

0.0013

7.848

0.0009

7.9642

0.0015

64.561

0.014

84.822

0.014

72.443

0.013

410.91

0.13

298

null

298

null

5

P -1

-P 1

2

- H5 K O9 P2 Zn -

- H10 K2 O18 P4 Zn2 -

2

1

QA0161

Harrison, William T. A.

A potassium zinc phosphate hydrate, KZn(HPO~4~)(H~2~PO~4~)^.^H~2~O

Acta Crystallographica Section C

1,999

55

10

IUC9900112

10.1107/S0108270199098790

0.71073

MoKα

null

0.024

null

0.032

null

0.881

null

has coordinates

Harrison, William T. A. A potassium zinc phosphate hydrate, KZn(HPO~4~)(H~2~PO~4~)^.^H~2~O Acta Crystallographica Section C 55(10) (1999) IUC9900112

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/2/00/90/2009054.cif $ #-------------------------------------------------------------------...

2,009,055

6.847

0.005

8.708

0.005

18.055

0.005

78.87

0.05

86.27

0.05

76.58

0.05

1,027.2

1

294

1

294

1

null

4

P -1

-P 1

2

3-(Triphenylstannyl)propyl ethanoate

- C23 H24 O2 Sn -

- C46 H48 O4 Sn2 -

2

1

QA0165

Low, John Nicolson; Ferguson, George; Wardell, James L.

3-(Triphenylstannyl)propyl ethanoate

Acta Crystallographica Section C

1,999

55

10

IUC9900117

10.1107/S010827019909873X

0.7107

MoKα

0.023

0.018

null

0.058

null

0.905

null

has coordinates

Low, John Nicolson; Ferguson, George; Wardell, James L. 3-(Triphenylstannyl)propyl ethanoate Acta Crystallographica Section C 55(10) (1999) IUC9900117

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/2/00/90/2009055.cif $ #-------------------------------------------------------------------...

2,009,056

9.929

0.003

8.895

0.002

14.482

0.004

90

null

90

null

90

null

1,279

0.6

150

2

150

2

null

3

P b c n

-P 2n 2ab

60

- C12 H12 O8 -

- C48 H48 O32 -

4

0.5

QA0166

Foxon, Simon P.; Semlyen, J. Anthony; Wood, Barry R.

A cyclic dimer of ethyleneglycol maleate

Acta Crystallographica Section C

1,999

55

10

IUC9900115

10.1107/S0108270199098704

0.7107

MoKα

0.0571

0.0361

null

0.1085

null

1.005

null

has coordinates

Foxon, Simon P.; Semlyen, J. Anthony; Wood, Barry R. A cyclic dimer of ethyleneglycol maleate Acta Crystallographica Section C 55(10) (1999) IUC9900115

301,791

2025-08-18

23:15:33

#------------------------------------------------------------------------------ #$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/2/00/90/2009056.cif $ #-------------------------------------------------------------------...

4,321,887

38.2725

0.0019

9.2841

0.0005

15.0099

0.0007

90

null

90

null

90

null

5,333.4

0.5

173

2

173

2

null

5

P n a 21

P 2c -2n

33

- C62 H54 N2 P4 Pt2 -

- C248 H216 N8 P16 Pt8 -

4

1

Jian Jun Li; Wei Li; Alan J. James; Todd Holbert; Tristan P. Sharp; Paul R. Sharp

Phosphine-Based Dinuclear Platinum(II) Diamido, Amido-Hydroxo, Oxo-Amido, Oxo-Imido, Diimido, and Dihydrazido Complexes1

Inorganic Chemistry

1,999

38

1563

1572

10.1021/ic981246w

0.7107

MoKα

0.0662

0.0535

null

0.1128

0.1196

null

1.171

null

has coordinates

Jian Jun Li; Wei Li; Alan J. James; Todd Holbert; Tristan P. Sharp; Paul R. Sharp Phosphine-Based Dinuclear Platinum(II) Diamido, Amido-Hydroxo, Oxo-Amido, Oxo-Imido, Diimido, and Dihydrazido Complexes1 Inorganic Chemistry 38 (1999) 1563-1572

179,321

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:18:08 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179321 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/18/4321887.cif $ #-------------------------------------------------------------------...

2,009,057

7.5729

0.0002

9.0936

0.0002

11.3877

0.0003

90

null

96.193

0.001

90

null

779.64

0.03

175

2

175

2

null

5

P 1 21/n 1

-P 2yn

14

4,5-dichloro-2-nitroaniline

- C6 H4 Cl2 N2 O2 -

- C24 H16 Cl8 N8 O8 -

4

1

QA0168

Britton, Doyle

4,5-Dichloro-2-nitroaniline

Acta Crystallographica Section C

1,999

55

10

IUC9900116

10.1107/S0108270199098698

0.71073

MoKα

0.056

0.045

null

0.112

null

0.107

null

1.09

null

1.12

null

has coordinates

Britton, Doyle 4,5-Dichloro-2-nitroaniline Acta Crystallographica Section C 55(10) (1999) IUC9900116

301,791

2025-08-18

23:15:33

#------------------------------------------------------------------------------ #$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/2/00/90/2009057.cif $ #-------------------------------------------------------------------...

2,009,058

11.986

0.0017

7.035

0.0011

11.1186

0.0017

90

null

97.727

0.003

90

null

929

0.2

293

2

293

2

null

3

P 1 21/c 1

-P 2ybc

14

2-methyl-(3R)-hydroxymethyl-cyclohexene-(4S)-carbolactone-(5S)-carboxylic acid

- C10 H12 O4 -

- C40 H48 O16 -

4

1

QA0169

Brewster, Matthew A.; Carducci, Michael D.; Rainier, Jon D.

The Diels‒Alder adduct (3aS,7aR,4S)-1,3,3a,-4,5,7a-hexahydro-7-methyl-3-oxoisobenzofuran-4-carboxylic acid

Acta Crystallographica Section C

1,999

55

10

IUC9900126

10.1107/S0108270199098674

0.71073

MoKα

0.108

0.045

null

0.117

null

0.852

null

has coordinates,has Fobs

Brewster, Matthew A.; Carducci, Michael D.; Rainier, Jon D. The Diels‒Alder adduct (3aS,7aR,4S)-1,3,3a,-4,5,7a-hexahydro-7-methyl-3-oxoisobenzofuran-4-carboxylic acid Acta Crystallographica Section C 55(10) (1999) IUC9900126

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/2/00/90/2009058.cif $ #-------------------------------------------------------------------...

2,009,059

11.5244

0.0002

19.1647

0.0003

24.8355

0.0001

90

null

90

null

90

null

5,485.21

0.13

293

2

293

2

null

4

P b c a

-P 2ac 2ab

61

Spiro Pyrazolidine [5.3] 4'-Flavanone.

- C35 H26 N2 O2 -

- C280 H208 N16 O16 -

8

1

QA0170

Krishna, R.; Shanmuga Sundara Raj, S.; Velmurugan, D.; Fun, Hoong-Kun; Manikandan, S.; Raghunathan, R.

2,4,5-Triphenylspiro[pyrazolidine-3,3'-(4'-flavanone)]

Acta Crystallographica Section C

1,999

55

10

IUC9900120

10.1107/S0108270199098662

0.71073

MoKα

0.085

0.055

null

0.128

null

1.131

null

has coordinates

Krishna, R.; Shanmuga Sundara Raj, S.; Velmurugan, D.; Fun, Hoong-Kun; Manikandan, S.; Raghunathan, R. 2,4,5-Triphenylspiro[pyrazolidine-3,3'-(4'-flavanone)] Acta Crystallographica Section C 55(10) (1999) IUC9900120

301,791

2025-08-18

23:15:33

#------------------------------------------------------------------------------ #$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/2/00/90/2009059.cif $ #-------------------------------------------------------------------...