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

2,230,098

7.2817

0.0008

20.66

0.002

9.3623

0.0009

90

null

111.846

0.007

90

null

1,307.3

0.2

296

2

296

2

null

5

P 1 21/c 1

-P 2ybc

14

Diaquabis(4-carboxy-2-ethyl-1H-imidazole-5-carboxylato- κ^2^N^3^,O^4^)zinc N,N-dimethylformamide disolvate

- C20 H32 N6 O12 Zn -

- C40 H64 N12 O24 Zn2 -

2

0.5

NK2096

Hao, Cheng-Jun; Xie, Hui

Diaquabis(4-carboxy-2-ethyl-1H-imidazole-5-carboxylato-κ^2^N^3^,O^4^)zinc N,N-dimethylformamide disolvate

Acta Crystallographica Section E

2,011

67

5

m583

10.1107/S1600536811012992

0.71073

MoKα

0.0471

0.0339

null

0.0791

0.0857

null

1.017

null

has coordinates,has Fobs

Hao, Cheng-Jun; Xie, Hui Diaquabis(4-carboxy-2-ethyl-1H-imidazole-5-carboxylato-κ^2^N^3^,O^4^)zinc N,N-dimethylformamide disolvate Acta Crystallographica Section E 67(5) (2011) m583

301,806

2025-08-19

15:27:02

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2,007,003

13.058

0.003

8.677

0.001

21.842

0.003

90

null

92.79

0.01

90

null

2,471.9

0.7

293

2

293

2

null

5

P 1 21/c 1

-P 2ybc

14

Bis(di-2-pyridylamine)(propionato)copper(II) Nitrate

- C23 H23 Cu N7 O5 -

- C92 H92 Cu4 N28 O20 -

4

1

CF1199

Sujittra Youngme; Kamphone Chandavong; Chaveng Pakawatchai; Zhong-yuan Zhou; Hoong-Kun Fun

Bis(di-2-pyridyl-N-amine)(propionato-O)copper(II) Nitrate

Acta Crystallographica Section C

1,998

54

2

199

201

10.1107/S0108270197014194

0.71073

MoKα

0.0519

0.0376

null

0.1053

0.0997

null

0.984

1.093

null

has coordinates,has disorder

Sujittra Youngme; Kamphone Chandavong; Chaveng Pakawatchai; Zhong-yuan Zhou; Hoong-Kun Fun Bis(di-2-pyridyl-N-amine)(propionato-O)copper(II) Nitrate Acta Crystallographica Section C 54(2) (1998) 199-201

176,759

2020-10-21

18:00:00

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2,007,004

31.919

0.005

9.399

0.002

11.26

0.003

90

null

93.83

0.01

90

null

3,370.5

1.3

293

1

293

1

null

4

C 1 2 1

C 2y

5

chasmaconitine

- C34.5 H49 N O9.5 -

- C34.5 H47 N O9.5 -

- C138 H188 N4 O38 -

4

1

FG1327

Parvez, Masood; Gul, Waseem; Anwar, Saeed; Miana, Ghulam A.; Atta-ur-Rahman; Choudhary, Mohammad I.

Chasmaconitine 0.5-Methanol Solvate

Acta Crystallographica Section C

1,998

54

2

236

238

10.1107/S0108270197013450

1.54178

CuKα

0.0692

0.0582

null

0.1713

0.1574

null

1.047

1.054

null

has coordinates

Parvez, Masood; Gul, Waseem; Anwar, Saeed; Miana, Ghulam A.; Atta-ur-Rahman; Choudhary, Mohammad I. Chasmaconitine 0.5-Methanol Solvate Acta Crystallographica Section C 54(2) (1998) 236-238

176,435

2020-10-21

18:00:00

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2,007,005

7.6575

0.0005

11.9173

0.0009

25.561

0.002

92.44

0.007

97.574

0.006

90.558

0.007

2,309.9

0.3

293

1

293

1

null

3

P -1

-P 1

2

(4Z,10E,12Z)-[1R^*^,14S^*^]-1,8,8-Tris(methoxycarbonyl)-5-methyl-3,17- dioxobicyclo[12.3.0]heptadeca-4,10,12-triene

- C24 H30 O8 -

- C96 H120 O32 -

4

2

FG1350

Drouin, Marc; Couturier, Michel; Deslongchamps, Pierre

Crystallographic Evidence of [1,5]Prototropic Shifts Occurring upon Transannular Diels–Alder Reaction of a 14-Membered Macrocycle leading to a 5α-Steroid Skeleton

Acta Crystallographica Section C

1,998

54

2

256

261

10.1107/S0108270197013310

1.54184

CuKα

0.0644

0.0507

null

0.1575

0.1375

null

1.1

1.081

null

has coordinates

Drouin, Marc; Couturier, Michel; Deslongchamps, Pierre Crystallographic Evidence of [1,5]Prototropic Shifts Occurring upon Transannular Diels–Alder Reaction of a 14-Membered Macrocycle leading to a 5α-Steroid Skeleton Acta Crystallographica Section C 54(2) (1998) 256-261

301,791

2025-08-18

23:15:30

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2,230,097

10.0782

0.0003

4.9979

0.0001

21.5827

0.0006

90

null

99.287

0.002

90

null

1,072.87

0.05

150

2

150

2

null

5

P 1 21/c 1

-P 2ybc

14

5,6,7-Trichloro-2-methoxy-8-hydroxyquinoline

- C10 H6 Cl3 N O2 -

- C40 H24 Cl12 N4 O8 -

4

1

NK2089

Chen, Qiu-Mao; Yi, Guo-Bin; An, Lin-Kun; Feng, Xiao-Long

5,6,7-Trichloro-2-methoxy-8-hydroxyquinoline

Acta Crystallographica Section E

2,011

67

5

o1108

10.1107/S1600536811010853

1.54178

CuKα

0.0441

0.0391

null

0.1045

0.1096

null

1.044

null

has coordinates,has Fobs

Chen, Qiu-Mao; Yi, Guo-Bin; An, Lin-Kun; Feng, Xiao-Long 5,6,7-Trichloro-2-methoxy-8-hydroxyquinoline Acta Crystallographica Section E 67(5) (2011) o1108

301,806

2025-08-19

15:27:02

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2,007,006

9.1783

0.001

10.5526

0.0013

13.657

0.002

108.201

0.01

101.221

0.009

98.791

0.009

1,199.7

0.3

293

2

293

1

null

3

P -1

-P 1

2

rac-(5Z,11Z,13Z)-1,8,8-Tris(methoxycarbonyl)-5-methyl-3,17- dioxobicyclo[12.3.0]heptadeca-5,11,13-triene

- C24 H30 O8 -

- C24 H29.97 O8 -

- C48 H59.94 O16 -

2

1

FG1350

Drouin, Marc; Couturier, Michel; Deslongchamps, Pierre

Crystallographic Evidence of [1,5]Prototropic Shifts Occurring upon Transannular Diels‒Alder Reaction of a 14-Membered Macrocycle leading to a 5α-Steroid Skeleton

Acta Crystallographica Section C

1,998

54

2

256

261

10.1107/S0108270197013310

1.54184

CuKα

0.0555

0.0462

null

0.1551

0.1453

null

0.997

1.079

null

has coordinates,has disorder

Drouin, Marc; Couturier, Michel; Deslongchamps, Pierre Crystallographic Evidence of [1,5]Prototropic Shifts Occurring upon Transannular Diels‒Alder Reaction of a 14-Membered Macrocycle leading to a 5α-Steroid Skeleton Acta Crystallographica Section C 54(2) (1998) 256-261

176,759

2020-10-21

18:00:00

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2,007,007

8.0693

0.0009

10.9292

0.0005

24.951

0.002

90

null

90

null

90

null

2,200.5

0.3

293

2

293

2

null

3

P 21 21 21

P 2ac 2ab

19

rac-3,3-Bis(methoxycarbonyl)-18-oxo-5α,9β-androst-6-en-11,17-dione

- C24 H30 O8 -

- C96 H120 O32 -

4

1

FG1350

Drouin, Marc; Couturier, Michel; Deslongchamps, Pierre

Crystallographic Evidence of [1,5]Prototropic Shifts Occurring upon Transannular Diels–Alder Reaction of a 14-Membered Macrocycle leading to a 5α-Steroid Skeleton

Acta Crystallographica Section C

1,998

54

2

256

261

10.1107/S0108270197013310

1.54184

CuKα

0.0489

0.0487

null

0.1162

0.1161

null

1.253

1.255

null

has coordinates

Drouin, Marc; Couturier, Michel; Deslongchamps, Pierre Crystallographic Evidence of [1,5]Prototropic Shifts Occurring upon Transannular Diels–Alder Reaction of a 14-Membered Macrocycle leading to a 5α-Steroid Skeleton Acta Crystallographica Section C 54(2) (1998) 256-261

301,791

2025-08-18

23:15:30

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2,007,008

6.9986

0.0004

12.1754

0.0006

53.584

0.003

90

null

90

null

90

null

4,565.9

0.4

293

2

293

1

null

3

P 21 21 21

P 2ac 2ab

19

rac-3,3-Bis(methoxycarbonyl)-18-oxo-5α-androst-6-en-11,17-dione

- C24 H30 O8 -

- C192 H240 O64 -

8

2

FG1350

Drouin, Marc; Couturier, Michel; Deslongchamps, Pierre

Crystallographic Evidence of [1,5]Prototropic Shifts Occurring upon Transannular Diels–Alder Reaction of a 14-Membered Macrocycle leading to a 5α-Steroid Skeleton

Acta Crystallographica Section C

1,998

54

2

256

261

10.1107/S0108270197013310

1.54184

CuKα

0.0803

0.0631

null

0.1832

0.1641

null

1.055

1.12

null

has coordinates

Drouin, Marc; Couturier, Michel; Deslongchamps, Pierre Crystallographic Evidence of [1,5]Prototropic Shifts Occurring upon Transannular Diels–Alder Reaction of a 14-Membered Macrocycle leading to a 5α-Steroid Skeleton Acta Crystallographica Section C 54(2) (1998) 256-261

301,791

2025-08-18

23:15:30

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2,230,096

9.7894

0.0019

9.7894

0.0019

10.483

0.002

90

null

90

null

120

null

870

0.3

293

2

293

2

null

5

P 31

144

Poly[{μ~3~-3-[4-(1H-imidazol-1-ylmethyl)phenyl]prop-2-enoato- κN:η^2^:κO}copper(I)]

- C13 H11 Cu N2 O2 -

- C39 H33 Cu3 N6 O6 -

3

1

NG5155

Lou, Benyong

Poly[{μ~3~-3-[4-(1H-imidazol-1-ylmethyl)phenyl]prop-2-enoato-κN:η^2^:κO}copper(I)]

Acta Crystallographica Section E

2,011

67

5

m640

10.1107/S1600536811015005

0.71073

MoKα

0.0478

0.042

null

0.1005

0.1046

null

1.032

null

has coordinates,has Fobs

Lou, Benyong Poly[{μ~3~-3-[4-(1H-imidazol-1-ylmethyl)phenyl]prop-2-enoato-κN:η^2^:κO}copper(I)] Acta Crystallographica Section E 67(5) (2011) m640

176,798

2020-10-21

18:00:00

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2,007,009

4.7

0.001

5.0228

0.0008

10.8995

0.0006

90

null

90

0.01

90

null

257.31

0.07

296

null

296

null

4

P 1 21 1

P 2yb

4

3-aminopyrazole-4-carboxylic acid

- C4 H5 N3 O2 -

- C8 H10 N6 O4 -

2

1

FG1359

Dobson, Allison J.; Gerkin, Roger E.

Complex Network of Hydrogen Bonds in 3-Aminopyrazole-4-carboxylic Acid

Acta Crystallographica Section C

1,998

54

2

253

256

10.1107/S0108270197013115

0.71073

MoKα

null

0.04

null

0.082

null

3.57

null

has coordinates

Dobson, Allison J.; Gerkin, Roger E. Complex Network of Hydrogen Bonds in 3-Aminopyrazole-4-carboxylic Acid Acta Crystallographica Section C 54(2) (1998) 253-256

301,791

2025-08-18

23:15:30

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2,007,010

7.4118

0.0001

16.728

0.0003

13.5168

0.0001

90

null

90.748

0.001

90

null

1,675.73

0.04

173

2

173

2

null

5

P 1 21/n 1

-P 2yn

14

4,4'-dimethyl-2,2'-bipyridinetrichloromanganese(III) acetonitrile solvate

- C14 H15 Cl3 Mn N3 -

- C56 H60 Cl12 Mn4 N12 -

4

1

FG1372

Abboud, Khalil A.; Ward, Brian H.; Talham, Daniel R.

Trichloro(4,4'-dimethyl-2,2'-bipyridine-N,N')manganese(III) Acetonitrile Solvate (1/1)

Acta Crystallographica Section C

1,998

54

2

180

181

10.1107/S0108270197012419

0.71073

MoKα

0.035

0.03

null

0.081

0.076

null

1.07

1.08

null

has coordinates

Abboud, Khalil A.; Ward, Brian H.; Talham, Daniel R. Trichloro(4,4'-dimethyl-2,2'-bipyridine-N,N')manganese(III) Acetonitrile Solvate (1/1) Acta Crystallographica Section C 54(2) (1998) 180-181

176,759

2020-10-21

18:00:00

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2,007,011

10.048

0.002

10.578

0.015

10.611

0.002

73.79

0.02

71.69

0.02

63.31

0.01

943.9

1.4

150

2

150

2

null

4

P -1

-P 1

2

- C18 H33 As Cl2 -

- C36 H66 As2 Cl4 -

2

1

FG1394

Pascu, Sofia; Silaghi-Dumitrescu, Luminita; Blake, Alexander J.; Li, Wan-Sheung; Haiduc, Ionel; Sowerby, D. Bryan

trans-Dichlorotri(cyclohexyl)arsenic(V)

Acta Crystallographica Section C

1,998

54

2

219

221

10.1107/S0108270197013334

0.71073

MoKα

0.0236

0.0216

null

0.0514

null

1.077

null

has coordinates

Pascu, Sofia; Silaghi-Dumitrescu, Luminita; Blake, Alexander J.; Li, Wan-Sheung; Haiduc, Ionel; Sowerby, D. Bryan trans-Dichlorotri(cyclohexyl)arsenic(V) Acta Crystallographica Section C 54(2) (1998) 219-221

301,791

2025-08-18

23:15:30

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2,007,012

14.8333

0.0008

7.601

0.0009

14.109

0.002

90

null

90

null

90

null

1,590.8

0.3

293

2

293

2

null

7

P c a 21

P 2c -2ac

29

Cyclopentadienyltricarbonyltrimethylphosphinemolybdenum(II) tetrafluoroborate

- C11 H14 B F4 Mo O3 P -

- C44 H56 B4 F16 Mo4 O12 P4 -

4

1

FR1063

Fettinger, James C.; Kraatz, Heinz-Bernhard; Poli, Rinaldo

Tricarbonyl(η^5^-cyclopentadienyl)(trimethylphosphine-P)molybdenum(II) Tetrafluoroborate

Acta Crystallographica Section C

1,998

54

2

181

183

10.1107/S0108270197012651

0.71073

MoKα

0.0805

0.033

null

0.0813

0.0686

null

1.048

1.118

null

has coordinates,has disorder

Fettinger, James C.; Kraatz, Heinz-Bernhard; Poli, Rinaldo Tricarbonyl(η^5^-cyclopentadienyl)(trimethylphosphine-P)molybdenum(II) Tetrafluoroborate Acta Crystallographica Section C 54(2) (1998) 181-183

192,303

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-02-19 20:59:11 +0200 (Sun, 19 Feb 2017) $ #$Revision: 192303 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/70/2007012.cif $ #-------------------------------------------------------------------...

2,007,013

14.622

0.002

17.901

0.003

6.908

0.001

92.43

0.01

90.88

0.01

92.35

0.01

1,804.7

0.5

295

null

4

P -1

-P 1

2

[N-(1-Adamantyl)acetamide]1/3(methanol-water) solvate

- C12.3333 H21 N O1.6667 -

- C12.3333 H21 N O1.66667 -

- C74 H126 N6 O10 -

6

3

FR1075

Kashino, Setsuo; Tateno, Shuichi; Hamada, Noritaka; Haisa, Masao

Methanol‒Water Solvate of N-(1-Adamantyl)acetamide

Acta Crystallographica Section C

1,998

54

2

273

274

10.1107/S0108270197013541

0.71073

MoKα

null

0.072

null

0.064

null

1.16

null

has coordinates

Kashino, Setsuo; Tateno, Shuichi; Hamada, Noritaka; Haisa, Masao Methanol‒Water Solvate of N-(1-Adamantyl)acetamide Acta Crystallographica Section C 54(2) (1998) 273-274

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/2/00/70/2007013.cif $ #-------------------------------------------------------------------...

2,230,095

6.1666

0.0012

18.206

0.004

15.702

0.003

90

null

97.33

0.03

90

null

1,748.4

0.6

110

2

110

2

null

4

P 1 21/n 1

-P 2yn

14

N,N-Dimethylpyridin-4-aminium 1-phenylcyclopentane-1-carboxylate monohydrate

- C19 H26 N2 O3 -

- C76 H104 N8 O12 -

4

1

NG5153

He, Guangwen; Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.

N,N-Dimethylpyridin-4-aminium 1-phenylcyclopentane-1-carboxylate monohydrate

Acta Crystallographica Section E

2,011

67

5

o1227

10.1107/S1600536811015200

0.71073

MoKα

0.0548

0.0512

null

0.1358

0.1391

null

1.127

null

has coordinates,has Fobs

He, Guangwen; Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H. N,N-Dimethylpyridin-4-aminium 1-phenylcyclopentane-1-carboxylate monohydrate Acta Crystallographica Section E 67(5) (2011) o1227

301,806

2025-08-19

15:27:02

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2,007,014

7.0367

0.0002

12.2343

0.0004

15.1467

0.0005

90

null

103.202

0.001

90

null

1,269.5

0.07

173

null

173

null

8

P 1 21/n 1

-P 2yn

14

trans-Diaquobis(2-thienyl 2-pyridyl ketone-O, N)copper(II) tetrafluoroborate

- C20 H18 B2 Cu F8 N2 O4 S2 -

- C40 H36 B4 Cu2 F16 N4 O8 S4 -

2

0.5

FR1082

Sommerer, Shaun O.; Friebe, Timothy L.; Jircitano, Alan J.; MacBeth, Cora E.; Abboud, Khalil A.

trans-Diaquabis(2-thienyl 2-pyridyl ketone-O,N)copper(II) Tetrafluoroborate

Acta Crystallographica Section C

1,998

54

2

178

179

10.1107/S0108270197014728

0.71073

MoKα

0.063

0.057

null

0.153

null

0.146

null

1.061

null

1.06

null

has coordinates

Sommerer, Shaun O.; Friebe, Timothy L.; Jircitano, Alan J.; MacBeth, Cora E.; Abboud, Khalil A. trans-Diaquabis(2-thienyl 2-pyridyl ketone-O,N)copper(II) Tetrafluoroborate Acta Crystallographica Section C 54(2) (1998) 178-179

301,791

2025-08-18

23:15:30

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2,007,015

5.4239

0.0005

7.1863

0.0009

8.1732

0.0008

88.86

0.009

71.254

0.008

81.261

0.009

298.03

0.06

295

2

295

2

null

3

P -1

-P 1

2

Citraconic acid

2-methyl-2-butenedioic acid

- C5 H6 O4 -

- C10 H12 O8 -

2

1

HA1205

Batchelor, Elaine; Jones, William

Citraconic Acid

Acta Crystallographica Section C

1,998

54

2

238

240

10.1107/S0108270197014224

0.71069

MoKα

0.0951

0.0489

null

0.1574

0.1277

null

0.973

1.003

null

has coordinates

Batchelor, Elaine; Jones, William Citraconic Acid Acta Crystallographica Section C 54(2) (1998) 238-240

301,791

2025-08-18

23:15:30

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2,007,016

13.776

0.003

13.262

0.003

24.964

0.01

90

null

94.54

0.04

90

null

4,547

2

173

2

173

2

null

6

P 1 21/c 1

-P 2ybc

14

μ^2^(2-thioxo-1,3-dithiole-4,5-dithiolate)bis(tri-p-metoxyphenyl phosphine)digold(I)

- C45 H42 Au2 O6 P2 S5 -

- C180 H168 Au8 O24 P8 S20 -

4

1

JZ1240

Cerrada, Elena; Laguna, Mariano; Villacampa, M. Dolores

μ-(2-Thioxo-1,3-dithiole-4,5-dithiolato)-bis{[tris(p-methoxyphenyl)phosphine]gold(I)}

Acta Crystallographica Section C

1,998

54

2

201

203

10.1107/S0108270197013346

0.71073

MoKα

0.0631

0.0413

null

0.0996

0.0868

null

1.048

1.045

null

has coordinates

Cerrada, Elena; Laguna, Mariano; Villacampa, M. Dolores μ-(2-Thioxo-1,3-dithiole-4,5-dithiolato)-bis{[tris(p-methoxyphenyl)phosphine]gold(I)} Acta Crystallographica Section C 54(2) (1998) 201-203

176,759

2020-10-21

18:00:00

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2,007,017

6.9449

0.0007

10.3618

0.0013

11.9715

0.0014

75.392

0.011

88.293

0.01

70.621

0.009

785.04

0.17

293

2

293

2

null

5

P -1

-P 1

2

Aqua(2,3-dimethylpyridine)(N-salicylideneglycinato)copper(II)

- C16 H18 Cu N2 O4 -

- C32 H36 Cu2 N4 O8 -

2

1

JZ1244

Warda, Salam A.

Aqua(2,3-dimethylpyridine-N)(N-salicylideneglycinato-O,N,O')copper(II)

Acta Crystallographica Section C

1,998

54

2

187

189

10.1107/S010827019701305X

1.54178

CuKα

0.0598

0.0488

null

0.1399

null

1.039

null

has coordinates

Warda, Salam A. Aqua(2,3-dimethylpyridine-N)(N-salicylideneglycinato-O,N,O')copper(II) Acta Crystallographica Section C 54(2) (1998) 187-189

301,791

2025-08-18

23:15:30

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2,007,018

8.5214

0.0007

15.3737

0.0018

9.9845

0.0005

90

null

100.905

0.005

90

null

1,284.4

0.2

293

2

293

2

null

5

P 1 21/c 1

-P 2ybc

14

Polymeric Pyrazine-Bis[N-salicylideneglycinato-copper(II)]-1,4-dioxane

- C26 H26 Cu2 N4 O8 -

- C52 H52 Cu4 N8 O16 -

2

0.5

JZ1247

Warda, Salam A.

catena-Poly[[(N-salicylideneglycinato-N,O,O')copper(II)-μ-pyrazine-N:N'-(N-salicylideneglycinato-N,O,O')copper(II)]-μ-1,4-dioxane-O:O']

Acta Crystallographica Section C

1,998

54

2

189

191

10.1107/S0108270197013061

0.71073

MoKα

0.0414

0.0319

null

0.0897

null

1.08

null

has coordinates

Warda, Salam A. catena-Poly[[(N-salicylideneglycinato-N,O,O')copper(II)-μ-pyrazine-N:N'-(N-salicylideneglycinato-N,O,O')copper(II)]-μ-1,4-dioxane-O:O'] Acta Crystallographica Section C 54(2) (1998) 189-191

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/2/00/70/2007018.cif $ #-------------------------------------------------------------------...

2,230,094

7.0961

0.0008

8.2714

0.0009

11.723

0.0008

88.614

0.007

80.544

0.008

71.368

0.01

642.86

0.12

173

2

173

2

null

5

P -1

-P 1

2

(E)-1-(2,4-Dinitrophenyl)-2-(2-fluorobenzylidene)hydrazine

- C13 H9 F N4 O4 -

- C26 H18 F2 N8 O8 -

2

1

NG5151

Jasinski, Jerry P.; Braley, Adam N.; Chidan Kumar, C. S.; Yathirajan, H. S.; Mayekar, A. N.

(E)-1-(2,4-Dinitrophenyl)-2-(2-fluorobenzylidene)hydrazine

Acta Crystallographica Section E

2,011

67

5

o1200

o1201

10.1107/S1600536811014383

0.71073

MoKα

0.057

0.0454

null

0.1326

0.1425

null

1.093

null

has coordinates,has Fobs

Jasinski, Jerry P.; Braley, Adam N.; Chidan Kumar, C. S.; Yathirajan, H. S.; Mayekar, A. N. (E)-1-(2,4-Dinitrophenyl)-2-(2-fluorobenzylidene)hydrazine Acta Crystallographica Section E 67(5) (2011) o1200-o1201

301,806

2025-08-19

15:27:02

#------------------------------------------------------------------------------ #$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301806 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/00/2230094.cif $ #-------------------------------------------------------------------...

2,007,019

12.36

0.002

17.042

0.003

25.08

0.005

90

null

92.93

0.03

90

null

5,275.9

1.6

173

null

293

2

null

7

P 1 21/c 1

-P 2ybc

14

μ-{7,8-Bis(diphenylphosphino)-7,8-dicarba-nido-undecaborato-P,P'}- pentafluorophenyltriphenylphosphinedigold(I) dichloromethane solvate

- C51 H47 Au2 B9 Cl2 F5 P3 -

- C204 H188 Au8 B36 Cl8 F20 P12 -

4

1

JZ1248

Crespo, Olga; Gimeno, M. Concepción; Laguna, Antonio; Villacampa, M. Dolores

μ-[7,8-Bis(diphenylphosphino)-7,8-dicarba-nido-undecaborato-1κP,2κP'](pentafluorophenyl-1κC)(triphenylphosphine-2κP)digold(I) Dichloromethane Solvate

Acta Crystallographica Section C

1,998

54

2

203

205

10.1107/S0108270197013826

0.71073

MoKα

0.0604

0.043

null

0.1081

0.0987

null

1.04

1.075

null

has coordinates

Crespo, Olga; Gimeno, M. Concepción; Laguna, Antonio; Villacampa, M. Dolores μ-[7,8-Bis(diphenylphosphino)-7,8-dicarba-nido-undecaborato-1κP,2κP'](pentafluorophenyl-1κC)(triphenylphosphine-2κP)digold(I) Dichloromethane Solvate Acta Crystallographica Section C 54(2) (1998) 203-205

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/2/00/70/2007019.cif $ #-------------------------------------------------------------------...

2,007,020

16.206

0.002

8.991

0.004

18.665

0.002

90

null

102.91

0.02

90

null

2,650.9

1.3

293

null

3

P 1 21/c 1

-P 2ybc

14

- C34 H32 O4 -

- C136 H128 O16 -

4

1

KA1242

Sybolt Harkema; Jan-Dirk van Loon; Willem Verboom; David N. Reinhoudt

15,17-Di-2-propenylcalix[4]arene-25,26,27,28-tetrol: Self-Complexation and C—H···O Interactions

Acta Crystallographica Section C

1,998

54

2

269

271

10.1107/S0108270197010937

0.71073

MoKα

0.184

0.096

null

0.113

0.101

null

0.817

1.073

null

has coordinates

Sybolt Harkema; Jan-Dirk van Loon; Willem Verboom; David N. Reinhoudt 15,17-Di-2-propenylcalix[4]arene-25,26,27,28-tetrol: Self-Complexation and C—H···O Interactions Acta Crystallographica Section C 54(2) (1998) 269-271

301,791

2025-08-18

23:15:30

#------------------------------------------------------------------------------ #$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/2/00/70/2007020.cif $ #-------------------------------------------------------------------...

2,007,021

12.117

0.002

12.324

0.002

13.508

0.003

90

null

108.83

0.03

90

null

1,909.2

0.7

293

2

293

2

null

4

P 1 21/c 1

-P 2ybc

14

5,5-dihydroxiethyl-barbituric acid

- C8 H12 N2 O5 -

- C64 H96 N16 O40 -

8

2

LN1024

Irles, Nuria; Subirana, J.Antoni; Solans, Xavier

5,5-Dihydroxyethylbarbituric Acid

Acta Crystallographica Section C

1,998

54

2

249

250

10.1107/S0108270197013899

0.71069

MoKα

0.1201

0.0683

null

0.2904

0.1951

null

0.984

1.032

null

has coordinates

Irles, Nuria; Subirana, J.Antoni; Solans, Xavier 5,5-Dihydroxyethylbarbituric Acid Acta Crystallographica Section C 54(2) (1998) 249-250

301,791

2025-08-18

23:15:30

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2,007,022

13.832

0.003

9.055

0.002

16.005

0.003

90

null

104.52

0.02

90

null

1,940.6

0.7

293

2

293

2

null

4

P 1 21/c 1

-P 2ybc

14

- C23 H16 Cr O4 -

- C92 H64 Cr4 O16 -

4

1

LN1031

Hannesschlager, Patrick; Brun, Pierre; Pèpe, Gérard

Tricarbonyl[(4a,5,6,7,8,9-η)-2-methyl-2-phenyl-2H-benzo[f]chromen]chromium

Acta Crystallographica Section C

1,998

54

2

221

223

10.1107/S0108270197014236

0.71073

MoKα

0.0425

0.0414

null

0.085

0.0847

null

0.955

1.119

null

has coordinates

Hannesschlager, Patrick; Brun, Pierre; Pèpe, Gérard Tricarbonyl[(4a,5,6,7,8,9-η)-2-methyl-2-phenyl-2H-benzo[f]chromen]chromium Acta Crystallographica Section C 54(2) (1998) 221-223

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/2/00/70/2007022.cif $ #-------------------------------------------------------------------...

2,230,093

7.9772

0.0004

7.9772

null

10.2975

0.0006

90

null

90

null

120

null

567.5

0.04

150

2

150

2

null

3

P 63/m

-P 6c

176

Tris(η^5^-cyclopentadienyl)hafnium(III)

- C15 H15 Hf -

- C30 H30 Hf2 -

2

0.166667

NG5148

Burlakov, Vladimir V.; Arndt, Perdita; Spannenberg, Anke; Rosenthal, Uwe

Tris(η^5^-cyclopentadienyl)hafnium(III)

Acta Crystallographica Section E

2,011

67

5

m629

10.1107/S1600536811014516

0.71073

MoKα

0.0382

0.0336

null

0.0737

0.0759

null

1.217

null

has coordinates,has Fobs

Burlakov, Vladimir V.; Arndt, Perdita; Spannenberg, Anke; Rosenthal, Uwe Tris(η^5^-cyclopentadienyl)hafnium(III) Acta Crystallographica Section E 67(5) (2011) m629

176,798

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-21 02:03:34 +0200 (Sun, 21 Feb 2016) $ #$Revision: 176798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/00/2230093.cif $ #-------------------------------------------------------------------...

2,007,023

23.424

0.004

9.689

0.004

14.47

0.003

90

null

90.53

0.02

90

null

3,283.9

1.6

293

null

293

null

6

C 1 2/m 1

-C 2y

12

- C27 H31 Br2 N O S8 -

- C108 H124 Br8 N4 O4 S32 -

4

0.5

LN1035

Honda, Kazumasa; Takasaki, Satoshi; Yamada, Jun-ichi; Nakatsuji, Shin-ichi; Anzai, Hiroyuki

Tetramethyltetrathiafulvalenium Bromide Benzonitrile Water Solvate

Acta Crystallographica Section C

1,998

54

2

261

264

10.1107/S0108270197013905

0.7107

MoKα

0.1619

0.053

null

0.0739

0.0597

null

0

1.32

null

has coordinates

Honda, Kazumasa; Takasaki, Satoshi; Yamada, Jun-ichi; Nakatsuji, Shin-ichi; Anzai, Hiroyuki Tetramethyltetrathiafulvalenium Bromide Benzonitrile Water Solvate Acta Crystallographica Section C 54(2) (1998) 261-264

219,800

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2019-10-28 09:23:29 +0200 (Mon, 28 Oct 2019) $ #$Revision: 219800 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/70/2007023.cif $ #-------------------------------------------------------------------...

2,007,024

8.6342

0.0003

11.608

0.0005

13.384

0.001

91.988

0.005

108.291

0.005

95.861

0.003

1,263.82

0.12

298

2

298

2

null

6

P -1

-P 1

2

Bis(di-2-pyridyl-1-hydroxymethoxy)cobalt(III) Perchlorate Trihydrate

- C22 H24 Cl Co N4 O11 -

- C44 H48 Cl2 Co2 N8 O22 -

2

1

LN1036

Tong, Ming-Liang; Yang, Guang; Chen, Xiao-Ming; Ng, Seik Weng

Bis[di-2-pyridylmethanediolato(1–)-N,O,N']cobalt(III) Perchlorate Trihydrate

Acta Crystallographica Section C

1,998

54

2

217

219

10.1107/S0108270197013358

0.71073

MoKα

0.0404

0.0325

null

0.0826

0.0778

null

1.061

1.082

null

has coordinates,has disorder

Tong, Ming-Liang; Yang, Guang; Chen, Xiao-Ming; Ng, Seik Weng Bis[di-2-pyridylmethanediolato(1–)-N,O,N']cobalt(III) Perchlorate Trihydrate Acta Crystallographica Section C 54(2) (1998) 217-219

301,791

2025-08-18

23:15:30

#------------------------------------------------------------------------------ #$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/2/00/70/2007024.cif $ #-------------------------------------------------------------------...

2,007,025

9.672

0.001

15.698

0.002

9.04

0.002

104.48

0.01

105.07

0.01

88.53

0.01

1,282.1

0.4

297

null

5

P -1

-P 1

2

dimethanolatotetrakis(μ-4-chlorophenoxyisobutyrato-O:O')dicopper(II) dimethanol solvate

- C44 H56 Cl4 Cu2 O16 -

1

0.5

LN1037

Kani, Yoshiyuki; Ohba, Shigeru; Matsushima, Hideaki; Tokii, Tadashi

A Dimeric Copper(II) 4-Chlorophenoxyisobutyrate Adduct with Methanol and a Monomeric Copper(II) 4-Chlorophenoxyisobutyrate Adduct with Pyridine

Acta Crystallographica Section C

1,998

54

2

193

195

10.1107/S0108270197012973

0.71073

MoKα

null

0.046

null

0.042

null

1.15

null

has coordinates

Kani, Yoshiyuki; Ohba, Shigeru; Matsushima, Hideaki; Tokii, Tadashi A Dimeric Copper(II) 4-Chlorophenoxyisobutyrate Adduct with Methanol and a Monomeric Copper(II) 4-Chlorophenoxyisobutyrate Adduct with Pyridine Acta Crystallographica Section C 54(2) (1998) 193-195

301,791

2025-08-18

23:15:30

#------------------------------------------------------------------------------ #$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/2/00/70/2007025.cif $ #-------------------------------------------------------------------...

2,230,092

8.736

0.005

7.809

0.005

16.122

0.01

90

null

103.57

0.02

90

null

1,069.1

1.1

290

2

290

2

null

4

P 1 21/c 1

-P 2ybc

14

4-(Diethylamino)salicylaldehyde azine

4-(Diethylamino)-2-hydroxybenzaldehyde azine

- C22 H30 N4 O2 -

- C44 H60 N8 O4 -

2

0.5

NG5147

Qiu, Jing-Bo; Yin, Bing-Zhu

4-(Diethylamino)salicylaldehyde azine

Acta Crystallographica Section E

2,011

67

5

o1092

10.1107/S1600536811013237

0.71073

MoKα

0.1379

0.0739

null

0.1956

0.2284

null

1.096

null

has coordinates,has Fobs

Qiu, Jing-Bo; Yin, Bing-Zhu 4-(Diethylamino)salicylaldehyde azine Acta Crystallographica Section E 67(5) (2011) o1092

301,806

2025-08-19

15:27:02

#------------------------------------------------------------------------------ #$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301806 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/00/2230092.cif $ #-------------------------------------------------------------------...

2,007,026

6.728

0.002

16.958

0.001

13.388

0.002

90

null

101.38

0.02

90

null

1,497.5

0.5

299

null

6

P 1 21/n 1

-P 2yn

14

trans-bis(pyridine)bis(4-chlorophenoxyisobutyrato-O,O')copper(II)

- C30 H30 Cl2 Cu N2 O6 -

- C60 H60 Cl4 Cu2 N4 O12 -

2

0.5

LN1037

Kani, Yoshiyuki; Ohba, Shigeru; Matsushima, Hideaki; Tokii, Tadashi

A Dimeric Copper(II) 4-Chlorophenoxyisobutyrate Adduct with Methanol and a Monomeric Copper(II) 4-Chlorophenoxyisobutyrate Adduct with Pyridine

Acta Crystallographica Section C

1,998

54

2

193

195

10.1107/S0108270197012973

0.71073

MoKα

null

0.043

null

0.048

null

1.34

null

has coordinates

Kani, Yoshiyuki; Ohba, Shigeru; Matsushima, Hideaki; Tokii, Tadashi A Dimeric Copper(II) 4-Chlorophenoxyisobutyrate Adduct with Methanol and a Monomeric Copper(II) 4-Chlorophenoxyisobutyrate Adduct with Pyridine Acta Crystallographica Section C 54(2) (1998) 193-195

301,791

2025-08-18

23:15:30

#------------------------------------------------------------------------------ #$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/2/00/70/2007026.cif $ #-------------------------------------------------------------------...

2,007,027

16.825

0.004

16.658

0.003

17.162

0.005

90

0.02

102.18

0.02

90

0.02

4,702

2

122

2

122

2

null

6

P 1 21/n 1

-P 2yn

14

trans-bis(1,2-bis(diphenylphosphino)ethane)-hydroxo-oxo-molybdenum(IV) perchlorate

- C52 H49 Cl Mo O6 P4 -

- C208 H196 Cl4 Mo4 O24 P16 -

4

1

LN1040

Bendix, Jesper; Bøgevig, Anders

trans-[Mo(O)(OH)(dppe)~2~]^+^ as its Perchlorate Salt

Acta Crystallographica Section C

1,998

54

2

206

208

10.1107/S010827019701336X

0.71073

MoKα

0.0506

0.0364

null

0.0842

null

0.0842

null

1.035

null

1.035

null

has coordinates,has Fobs

Bendix, Jesper; Bøgevig, Anders trans-[Mo(O)(OH)(dppe)~2~]^+^ as its Perchlorate Salt Acta Crystallographica Section C 54(2) (1998) 206-208

301,791

2025-08-18

23:15:30

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2,007,028

6.879

0.002

14.004

0.003

9.504

0.001

90

null

91.37

0.02

90

null

915.3

0.3

293

2

293

2

null

5

P 1 21/c 1

-P 2ybc

14

Complexe de Cuivre(II) di(Nitriloacétatodiacétique) Dihydrate

- C12 H20 Cu N2 O14 -

- C24 H40 Cu2 N4 O28 -

2

0.5

MU1346

Ben Amor, Fatma; Bourguiba, Néji; Driss, Ahmed; Jouini, Tahar

Complexe de Cuivre(II) Di(nitriloacétatodiacétique) Dihydrate, [Cu(C~6~H~8~NO~6~)~2~].2H~2~O

Acta Crystallographica Section C

1,998

54

2

197

199

10.1107/S0108270197011402

0.71069

MoKα

0.0691

0.0422

null

0.0898

0.0801

null

1.093

1.163

null

has coordinates

Ben Amor, Fatma; Bourguiba, Néji; Driss, Ahmed; Jouini, Tahar Complexe de Cuivre(II) Di(nitriloacétatodiacétique) Dihydrate, [Cu(C~6~H~8~NO~6~)~2~].2H~2~O Acta Crystallographica Section C 54(2) (1998) 197-199

301,791

2025-08-18

23:15:30

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2,007,029

9.545

0.002

16.271

0.004

22.797

0.003

90

null

90

null

90

null

3,540.5

1.2

293

2

293

2

null

4

P 21 21 21

P 2ac 2ab

19

(2R,3R)-2,3-dibenzyloxy-1,4-bis(diphenylphosphino)butane

- C42 H40 O2 P2 -

- C168 H160 O8 P8 -

4

1

NA1325

Matos Beja, A.; Paixão, J. A.; Ramos Silva, M.; Alte da Veiga, L.; Gonsalves, A. M. A. D'A. Rocha; Pereira, M. M.; Serra, M. Elisa Silva

(2R,3R)-2,3-Dibenzyloxy-1,4-bis(diphenylphosphino)butane

Acta Crystallographica Section C

1,998

54

2

264

266

10.1107/S0108270197014248

0.71073

MoKα

0.1191

0.0363

null

0.0741

0.0923

null

1.016

null

has coordinates

Matos Beja, A.; Paixão, J. A.; Ramos Silva, M.; Alte da Veiga, L.; Gonsalves, A. M. A. D'A. Rocha; Pereira, M. M.; Serra, M. Elisa Silva (2R,3R)-2,3-Dibenzyloxy-1,4-bis(diphenylphosphino)butane Acta Crystallographica Section C 54(2) (1998) 264-266

301,791

2025-08-18

23:15:30

#------------------------------------------------------------------------------ #$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/2/00/70/2007029.cif $ #-------------------------------------------------------------------...

2,230,091

8.6281

0.0017

10.701

0.002

10.921

0.002

78.77

0.03

79.04

0.03

78.55

0.03

957.2

0.3

291

2

291

2

null

5

P -1

-P 1

2

[1,2-Bis(pyridin-2-ylmethoxy)benzene- κ^4^N,O,O',N']bis(nitrato-κO)cobalt(II)

- C18 H16 Co N4 O8 -

- C36 H32 Co2 N8 O16 -

2

1

NG5146

Huang, Nan-Nan; Yu, Ying-Hui; Liu, Ying; Hou, Guang-Feng; Gao, Jin-Sheng

[1,2-Bis(pyridin-2-ylmethoxy)benzene-κ^4^N,O,O',N']bis(nitrato-κO)cobalt(II)

Acta Crystallographica Section E

2,011

67

5

m598

10.1107/S1600536811013328

0.71073

MoKα

0.0742

0.044

null

0.0873

0.0983

null

1.044

null

has coordinates,has Fobs

Huang, Nan-Nan; Yu, Ying-Hui; Liu, Ying; Hou, Guang-Feng; Gao, Jin-Sheng [1,2-Bis(pyridin-2-ylmethoxy)benzene-κ^4^N,O,O',N']bis(nitrato-κO)cobalt(II) Acta Crystallographica Section E 67(5) (2011) m598

301,806

2025-08-19

15:27:02

#------------------------------------------------------------------------------ #$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301806 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/00/2230091.cif $ #-------------------------------------------------------------------...

2,007,030

16.325

0.003

16.325

0.003

35.135

0.005

90

null

90

null

120

null

8,109

2

293

2

293

2

null

3

R -3 m :H

-R 3 2"

166

Sodium potassium gallium intermetallic compound

- Ga47.45 K4 Na13 -

- Ga47.452 K4 Na13 -

- Ga284.712 K24 Na78 -

6

0.166667

OH1104

Flot, D.; Vincent, L.; Tillard-Charbonnel, M.; Belin, C.

Na~13~K~4~Ga~47.45~: a New Sodium Potassium Gallide Phase Containing Trimeric Icosahedral Gallium Clusters

Acta Crystallographica Section C

1,998

54

2

174

175

10.1107/S0108270197015977

0.7107

MoKα

0.0577

0.0536

null

0.1376

0.1355

null

1.071

1.101

null

has coordinates

Flot, D.; Vincent, L.; Tillard-Charbonnel, M.; Belin, C. Na~13~K~4~Ga~47.45~: a New Sodium Potassium Gallide Phase Containing Trimeric Icosahedral Gallium Clusters Acta Crystallographica Section C 54(2) (1998) 174-175

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/2/00/70/2007030.cif $ #-------------------------------------------------------------------...

2,007,031

10.184

0.001

10.941

0.001

13.441

0.001

84.8

0.02

67.94

0.02

82.65

0.02

1,375.1

0.3

293

2

293

2

null

5

P -1

-P 1

2

- C30 H26 N2 O4 S2 -

- C60 H52 N4 O8 S4 -

2

1

PT1051

Govindasamy, Lakashmanan; Velmurugan, D.; Ravikumar, K.; Mohanakrishnan, A. K.

4-Benzyl-2,9-bis(phenylsulfonyl)-1,2,3,4-tetrahydro-9H-β-carboline

Acta Crystallographica Section C

1,998

54

2

277

279

10.1107/S0108270197011268

0.71073

MoKα

0.133

0.061

null

0.192

0.143

null

0.963

0.997

null

has coordinates

Govindasamy, Lakashmanan; Velmurugan, D.; Ravikumar, K.; Mohanakrishnan, A. K. 4-Benzyl-2,9-bis(phenylsulfonyl)-1,2,3,4-tetrahydro-9H-β-carboline Acta Crystallographica Section C 54(2) (1998) 277-279

301,791

2025-08-18

23:15:30

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2,007,032

36.858

0.005

6.5975

0.001

12.145

0.002

90

null

101.255

0.01

90

null

2,896.5

0.8

293

2

293

2

null

3

C 1 2/c 1

-C 2yc

15

2,3-Dihydro-8-hydroxy-5,7-dimethoxy-2-phenyl-4H-1-benzopyran-4-one

- C17 H16 O5 -

- C136 H128 O40 -

8

1

QA0028

Kan Chantrapromma; Vatcharee Seechamnanturakit; Chaveng Pakawatchai; Suchada Chantrapromma; Kandasamy Chinnakali; Hoong-Kun Fun

2,3-Dihydro-8-hydroxy-5,7-dimethoxy-2-phenyl-4H-1-benzopyran-4-one and 3,3,6-Tribromo-2,3-dihydro-8-hydroxy-5,7-dimethoxy-2-phenyl-4H-1-benzopyran-4-one

Acta Crystallographica Section C

1,998

54

2

IUC9800001

10.1107/S0108270198099843

0.71073

MoKα

0.1339

0.0881

null

0.3289

0.3023

null

1.12

1.426

null

has coordinates

Kan Chantrapromma; Vatcharee Seechamnanturakit; Chaveng Pakawatchai; Suchada Chantrapromma; Kandasamy Chinnakali; Hoong-Kun Fun 2,3-Dihydro-8-hydroxy-5,7-dimethoxy-2-phenyl-4H-1-benzopyran-4-one and 3,3,6-Tribromo-2,3-dihydro-8-hydroxy-5,7-dimethoxy-2-phenyl-4H-1-benzopyran-4-one Acta Crystallographica Se...

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/2/00/70/2007032.cif $ #-------------------------------------------------------------------...

2,007,033

8.945

0.003

8.664

0.002

47.029

0.009

90

null

90

null

90

null

3,644.7

1.6

293

2

293

2

null

4

P b c a

-P 2ac 2ab

61

2,3-Dihydro-8-hydroxy-5,7-dimethoxy-3,3,6-tribromo-2-phenyl-4H-1-benzopyran- 4-one

- C17 H13 Br3 O5 -

- C136 H104 Br24 O40 -

8

1

QA0028

Kan Chantrapromma; Vatcharee Seechamnanturakit; Chaveng Pakawatchai; Suchada Chantrapromma; Kandasamy Chinnakali; Hoong-Kun Fun

2,3-Dihydro-8-hydroxy-5,7-dimethoxy-2-phenyl-4H-1-benzopyran-4-one and 3,3,6-Tribromo-2,3-dihydro-8-hydroxy-5,7-dimethoxy-2-phenyl-4H-1-benzopyran-4-one

Acta Crystallographica Section C

1,998

54

2

IUC9800001

10.1107/S0108270198099843

0.71073

MoKα

0.2065

0.0826

null

0.2357

0.1958

null

0.833

1.235

null

has coordinates

Kan Chantrapromma; Vatcharee Seechamnanturakit; Chaveng Pakawatchai; Suchada Chantrapromma; Kandasamy Chinnakali; Hoong-Kun Fun 2,3-Dihydro-8-hydroxy-5,7-dimethoxy-2-phenyl-4H-1-benzopyran-4-one and 3,3,6-Tribromo-2,3-dihydro-8-hydroxy-5,7-dimethoxy-2-phenyl-4H-1-benzopyran-4-one Acta Crystallographica Se...

301,791

2025-08-18

23:15:30

#------------------------------------------------------------------------------ #$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/2/00/70/2007033.cif $ #-------------------------------------------------------------------...

2,230,090

10.624

0.002

19.458

0.004

8.8063

0.0018

90

null

101.35

0.03

90

null

1,784.9

0.6

293

2

293

2

null

6

C 1 2/c 1

-C 2yc

15

[1,2-Bis(pyridin-2-ylmethoxy)benzene- κ^4^N,O,O',N']dichloridocopper(II)

- C18 H16 Cl2 Cu N2 O2 -

- C72 H64 Cl8 Cu4 N8 O8 -

4

0.5

NG5145

Huang, Nan-Nan; Zhang, Shuang; Liu, Ying; Hou, Guang-Feng; Gao, Jin-Sheng

[1,2-Bis(pyridin-2-ylmethoxy)benzene-κ^4^N,O,O',N']dichloridocopper(II)

Acta Crystallographica Section E

2,011

67

5

m596

10.1107/S160053681101333X

0.71073

MoKα

0.047

0.0337

null

0.0753

0.0805

null

1.05

null

has coordinates,has Fobs

Huang, Nan-Nan; Zhang, Shuang; Liu, Ying; Hou, Guang-Feng; Gao, Jin-Sheng [1,2-Bis(pyridin-2-ylmethoxy)benzene-κ^4^N,O,O',N']dichloridocopper(II) Acta Crystallographica Section E 67(5) (2011) m596

176,798

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-21 02:03:34 +0200 (Sun, 21 Feb 2016) $ #$Revision: 176798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/00/2230090.cif $ #-------------------------------------------------------------------...

2,007,034

19.897

0.0018

11.878

0.002

8.0208

0.0012

90

null

97.204

0.01

90

null

1,880.6

0.5

293

2

293

2

null

5

P 1 21/c 1

-P 2ybc

14

8-(2-Bromo-4-methylanilino)-9-hydroxy-4-methyl-7,8,9,10-tetrahydro-7,8- benzocoumarin

- C21 H20 Br N O3 -

- C84 H80 Br4 N4 O12 -

4

1

QA0031

Kandasamy Chinnakali; Hoong-Kun Fun; Kamaraj Sriraghavan; Vayalakkavoor T.Ramakrishnan

8-(2-Bromo-4-methylanilino)-9-hydroxy-4-methyl-7,8,9,10-tetrahydro-7,8-benzocoumarin

Acta Crystallographica Section C

1,998

54

2

IUC9800003

10.1107/S010827019809982X

0.71073

MoKα

0.1175

0.0437

null

0.1225

0.1026

null

0.833

1.126

null

has coordinates

Kandasamy Chinnakali; Hoong-Kun Fun; Kamaraj Sriraghavan; Vayalakkavoor T.Ramakrishnan 8-(2-Bromo-4-methylanilino)-9-hydroxy-4-methyl-7,8,9,10-tetrahydro-7,8-benzocoumarin Acta Crystallographica Section C 54(2) (1998) IUC9800003

301,791

2025-08-18

23:15:30

#------------------------------------------------------------------------------ #$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/2/00/70/2007034.cif $ #-------------------------------------------------------------------...

2,007,035

12.673

0.003

11.809

0.002

11.921

0.002

90

null

100.74

0.03

90

null

1,752.8

0.6

293

2

293

2

null

5

P 1 21/n 1

-P 2yn

14

- C19 H19 N O4 S -

- C76 H76 N4 O16 S4 -

4

1

QB0025

Duque Rodríguez, Julio; Pomés Hernández, Ramón; Diáz de Delgado, Graciela; Roque, Estela; Suárez Navarro, Margarita; Verdecia Reyes, Yamila; Ochoa Rodríguez, Estael; Pita Mieres, Beatriz; Espinosa, Remberto; Liván Alba Gutierrez

2-Ethoxycarbonyl-5-methoxycarbonyl-6-methyl-4-phenyl-4,7-dihydrothieno[2,3-b]pyridine

Acta Crystallographica Section C

1,998

54

2

IUC9800002

10.1107/S0108270198099831

0.71069

MoKα

0.0915

0.0689

null

0.1975

0.1771

null

1.033

1.117

null

has coordinates

Duque Rodríguez, Julio; Pomés Hernández, Ramón; Diáz de Delgado, Graciela; Roque, Estela; Suárez Navarro, Margarita; Verdecia Reyes, Yamila; Ochoa Rodríguez, Estael; Pita Mieres, Beatriz; Espinosa, Remberto; Liván Alba Gutierrez 2-Ethoxycarbonyl-5-methoxycarbonyl-6-methyl-4-phenyl-4,7-dihydrothieno[2,3-b]pyridin...

301,791

2025-08-18

23:15:30

#------------------------------------------------------------------------------ #$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/2/00/70/2007035.cif $ #-------------------------------------------------------------------...

2,230,089

6.714

0.005

8.146

0.007

12.767

0.012

83.33

0.04

79.16

0.03

67.78

0.03

634.1

0.9

293

2

293

2

null

4

P -1

-P 1

2

Dimethylammonium 2-[(2-oxo-2H-chromen-7-yl)oxy]acetate

- C13 H15 N O5 -

- C26 H30 N2 O10 -

2

1

NG5144

Dong, Feng-Xia

Dimethylammonium 2-[(2-oxo-2H-chromen-7-yl)oxy]acetate

Acta Crystallographica Section E

2,011

67

5

o1105

10.1107/S1600536811012761

0.71073

MoKα

0.0686

0.0413

null

0.1145

0.1309

null

0.928

null

has coordinates,has Fobs

Dong, Feng-Xia Dimethylammonium 2-[(2-oxo-2H-chromen-7-yl)oxy]acetate Acta Crystallographica Section E 67(5) (2011) o1105

301,806

2025-08-19

15:27:02

#------------------------------------------------------------------------------ #$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301806 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/00/2230089.cif $ #-------------------------------------------------------------------...

2,007,036

14.407

0.001

8.425

0.001

11.777

0.001

90

null

100.93

0.01

90

null

1,403.5

0.2

293

null

293

null

6

P 1 21 1

P 2yb

4

dichloro{(S,S)-trans-diphenyl[(2- diphenylphosphinyl)cyclohexyl]phosphinicacidester}palladium(II)

- C30 H30 Cl2 O P2 Pd -

- C60 H60 Cl4 O2 P4 Pd2 -

2

1

SK1135

Thurner, C. L.; Barz, M.; Spiegler, M.; Thiel, W. R.

Ligands with Cycloalkane Backbones. IV. Dichloro{(S,S)-trans-diphenyl[(2-diphenylphosphinyl)cyclohexyl]phosphinic acid ester}palladium(II)

Acta Crystallographica Section C

1,998

54

2

227

228

10.1107/S0108270197013231

0.71073

MoKα

0.0258

0.0237

null

0.0634

0.0658

null

1.111

1.124

null

has coordinates

Thurner, C. L.; Barz, M.; Spiegler, M.; Thiel, W. R. Ligands with Cycloalkane Backbones. IV. Dichloro{(S,S)-trans-diphenyl[(2-diphenylphosphinyl)cyclohexyl]phosphinic acid ester}palladium(II) Acta Crystallographica Section C 54(2) (1998) 227-228

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/2/00/70/2007036.cif $ #-------------------------------------------------------------------...

2,007,037

6.5295

0.0008

11.0584

0.0007

12.2954

0.0007

90

null

92.92

0.006

90

null

886.65

0.13

173

2

173

2

null

4

P 1 21/n 1

-P 2yn

14

Tetraammonium tetrametaphosphimate tetrahydrate

Tetraammonium-tetra-μ-imido-cyclotetraphosphate tetrahydrate

- H28 N8 O12 P4 -

- H56 N16 O24 P8 -

2

0.5

SK1143

Stock, Norbert; Schnick, Wolfgang

Tetraammonium Tetrametaphosphimate Tetrahydrate

Acta Crystallographica Section C

1,998

54

2

171

174

10.1107/S0108270197012766

0.71073

MoKα

0.028

0.0262

null

0.0778

0.0765

null

1.124

1.143

null

has coordinates

Stock, Norbert; Schnick, Wolfgang Tetraammonium Tetrametaphosphimate Tetrahydrate Acta Crystallographica Section C 54(2) (1998) 171-174

301,791

2025-08-18

23:15:30

#------------------------------------------------------------------------------ #$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/2/00/70/2007037.cif $ #-------------------------------------------------------------------...

2,007,038

13.18

0.002

5.8904

0.0008

5.056

0.0005

90

null

90

null

90

null

392.52

0.09

293

2

293

2

null

4

P n m a

-P 2ac 2n

62

Cadmium selenite monohydrate

Cadmium trioxoxselenate(IV) monohydrate

- Cd H2 O4 Se -

- Cd4 H8 O16 Se4 -

4

0.5

SK1149

Bäumer, Ulrich; Engelen, Bernward; Müller, Holger

Intralayer Hydrogen Bonding in CdSeO~3~.H~2~O

Acta Crystallographica Section C

1,998

54

2

169

171

10.1107/S0108270197014042

0.71069

MoKα

0.0191

0.0186

null

0.044

0.0438

null

1.29

1.299

null

has coordinates

Bäumer, Ulrich; Engelen, Bernward; Müller, Holger Intralayer Hydrogen Bonding in CdSeO~3~.H~2~O Acta Crystallographica Section C 54(2) (1998) 169-171

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/2/00/70/2007038.cif $ #-------------------------------------------------------------------...

2,007,039

31.647

0.003

5.598

0.005

11.327

0.002

90

null

105.3

0.02

90

null

1,935.6

1.8

296

null

5

C 1 2/c 1

-C 2yc

15

- C20 H18 Co N4 O6 -

- C80 H72 Co4 N16 O24 -

4

0.5

TA1101

Kyoko Tamaki; Nobuo Okabe

Diaquabis[N-(1-naphthyl)-N-nitrosohydroxylaminato-O,O']cobalt(II)

Acta Crystallographica Section C

1,998

54

2

195

197

10.1107/S0108270197013620

0.71069

MoKα

null

0.04

null

0.041

null

1.22

null

has coordinates

Kyoko Tamaki; Nobuo Okabe Diaquabis[N-(1-naphthyl)-N-nitrosohydroxylaminato-O,O']cobalt(II) Acta Crystallographica Section C 54(2) (1998) 195-197

176,759

2020-10-21

18:00:00

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2,230,088

8.1389

0.0008

9.8161

0.001

12.4823

0.0013

79.512

0.002

85.036

0.002

88.202

0.002

976.78

0.17

294

2

294

2

null

5

P -1

-P 1

2

Poly[μ~2~-chlorido-dichlorido[μ~2~-4'-(4-pyridyl)-2,2':6',2''- terpyridine]copper(I)copper(II)]

- C20 H14 Cl3 Cu2 N4 -

- C40 H28 Cl6 Cu4 N8 -

2

1

NG5143

Zhu, Chao-Ying

Poly[μ~2~-chlorido-dichlorido[μ~2~-4'-(4-pyridyl)-2,2':6',2''-terpyridine]copper(I)copper(II)]

Acta Crystallographica Section E

2,011

67

5

m639

10.1107/S1600536811014759

0.71073

MoKα

0.0301

0.0268

null

0.0705

0.072

null

1.058

null

has coordinates,has Fobs

Zhu, Chao-Ying Poly[μ~2~-chlorido-dichlorido[μ~2~-4'-(4-pyridyl)-2,2':6',2''-terpyridine]copper(I)copper(II)] Acta Crystallographica Section E 67(5) (2011) m639

176,798

2020-10-21

18:00:00

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2,007,040

27.96

0.003

9.1643

0.0008

18.488

0.002

90

null

131.137

0.008

90

null

3,567.8

0.8

153

2

153

2

null

7

C 1 2/c 1

-C 2yc

15

bis(triphenylphoshine)iminium tetrabromooxomolybdate(V)

- C36 H30 Br4 Mo N O P2 -

- C144 H120 Br16 Mo4 N4 O4 P8 -

4

0.5

TA1139

Fettinger, James C.; Mattamana, Sundeep P.; Poli, Rinaldo

Two Tetrahalooxomolybdate(V) Structures, [Ph~3~PNPPh~3~][MoOBr~4~] and [PPh~4~][MoOI~4~(H~2~ O)]

Acta Crystallographica Section C

1,998

54

2

184

187

10.1107/S0108270197010718

0.71073

MoKα

0.0419

0.0291

null

0.0697

0.0651

null

1.115

1.15

null

has coordinates

Fettinger, James C.; Mattamana, Sundeep P.; Poli, Rinaldo Two Tetrahalooxomolybdate(V) Structures, [Ph~3~PNPPh~3~][MoOBr~4~] and [PPh~4~][MoOI~4~(H~2~ O)] Acta Crystallographica Section C 54(2) (1998) 184-187

176,759

2020-10-21

18:00:00

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2,007,041

13.258

0.002

13.258

0.002

7.8926

0.0015

90

null

90

null

90

null

1,387.3

0.4

153

2

153

2

null

6

P 4/n :2

-P 4a

85

tetraphenylphosphonium aquotetraiodooxomolybdate(V)

- C24 H22 I4 Mo O2 P -

- C24 H20 I4 Mo O2 P -

- C48 H40 I8 Mo2 O4 P2 -

2

0.25

TA1139

Fettinger, James C.; Mattamana, Sundeep P.; Poli, Rinaldo

Two Tetrahalooxomolybdate(V) Structures, [Ph~3~PNPPh~3~][MoOBr~4~] and [PPh~4~][MoOI~4~(H~2~ O)]

Acta Crystallographica Section C

1,998

54

2

184

187

10.1107/S0108270197010718

0.71073

MoKα

0.0678

0.0551

null

0.1266

0.1212

null

1.195

1.254

null

has coordinates

Fettinger, James C.; Mattamana, Sundeep P.; Poli, Rinaldo Two Tetrahalooxomolybdate(V) Structures, [Ph~3~PNPPh~3~][MoOBr~4~] and [PPh~4~][MoOI~4~(H~2~ O)] Acta Crystallographica Section C 54(2) (1998) 184-187

176,759

2020-10-21

18:00:00

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2,007,042

16.546

0.003

8.97

0.002

11.507

0.002

90

null

98.9

0.02

90

null

1,687.3

0.6

298

null

5

P 1 21/a 1

-P 2yab

14

[2-Benzylbis(salicylideneiminato)-N,N',O,O']copper(II)

- C21 H16 Cu N2 O2 -

- C84 H64 Cu4 N8 O8 -

4

1

TA1184

Kani, Yoshiyuki; Ohba, Shigeru; Ishikawa, Takashi; Sakamoto, Masatomi; Nishida, Yuzo

{2-[2-(Salicylideneaminomethyl)phenylimino-methyl]phenolato(2–)-N,N',O,O'}copper(II)

Acta Crystallographica Section C

1,998

54

2

191

193

10.1107/S0108270197013619

0.71073

MoKα

null

0.042

null

0.038

null

1.21

null

has coordinates

Kani, Yoshiyuki; Ohba, Shigeru; Ishikawa, Takashi; Sakamoto, Masatomi; Nishida, Yuzo {2-[2-(Salicylideneaminomethyl)phenylimino-methyl]phenolato(2–)-N,N',O,O'}copper(II) Acta Crystallographica Section C 54(2) (1998) 191-193

301,791

2025-08-18

23:15:30

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2,007,043

7.5131

0.0001

9.1074

0.0002

9.8983

0.0002

83.786

0.001

79.879

0.001

77.383

0.001

648.93

0.02

153

2

153

2

null

6

P -1

-P 1

2

di-2-pyridyl sulfide silver nitrate dimer

- C11 H11 Ag N3 O3.5 S -

- C22 H22 Ag2 N6 O7 S2 -

1

0.5

TA1195

Anderson, Regan J.; Steel, Peter J.

A Topologically Novel Binuclear Silver Complex of Di-2-pyridyl Sulfide

Acta Crystallographica Section C

1,998

54

2

223

225

10.1107/S0108270197014911

0.71073

MoKα

null

0.0219

null

0.0562

null

1.061

null

has coordinates,has disorder

Anderson, Regan J.; Steel, Peter J. A Topologically Novel Binuclear Silver Complex of Di-2-pyridyl Sulfide Acta Crystallographica Section C 54(2) (1998) 223-225

176,759

2020-10-21

18:00:00

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2,230,087

15.617

0.006

8.083

0.003

11.585

0.004

90

null

104.47

0.004

90

null

1,416

0.9

293

2

293

2

null

4

P 1 2/c 1

-P 2yc

13

Dimethyl 2,5-bis(5-hexylthiophen-2-yl)benzene-1,4-dioate

- C30 H38 O4 S2 -

- C60 H76 O8 S4 -

2

0.5

NG5141

Song, Cheng-Li; Liu, Ke; Zhang, Ai-Jiang; Xu, Zhu-Guo; Zhang, Hao-Li

Dimethyl 2,5-bis(5-hexylthiophen-2-yl)benzene-1,4-dioate

Acta Crystallographica Section E

2,011

67

5

o1059

10.1107/S1600536811011718

0.71073

MoKα

0.0593

0.0412

null

0.0943

0.1042

null

1.04

null

has coordinates,has Fobs

Song, Cheng-Li; Liu, Ke; Zhang, Ai-Jiang; Xu, Zhu-Guo; Zhang, Hao-Li Dimethyl 2,5-bis(5-hexylthiophen-2-yl)benzene-1,4-dioate Acta Crystallographica Section E 67(5) (2011) o1059

301,806

2025-08-19

15:27:02

#------------------------------------------------------------------------------ #$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301806 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/00/2230087.cif $ #-------------------------------------------------------------------...

2,007,044

11.4376

0.001

9.8396

0.0009

12.5356

0.0011

90

null

101.453

0.007

90

null

1,382.7

0.2

298

null

5

P 1 21/n 1

-P 2yn

14

- C26 H26 Cu N4 O10 -

- C52 H52 Cu2 N8 O20 -

2

0.5

AB1498

Hökelek, Tuncer; Budak, Kıvanç; S̨endi̇l, Kıvılcım; Necefoğlu, Hacali

trans-Diaquabis(4-hydroxybenzoato-O)bis(nicotinamide-N)copper(II)

Acta Crystallographica Section C

1,998

54

3

347

348

10.1107/S0108270197013978

0.71073

MoKα

null

0.056

null

0.044

null

1.21

null

has coordinates

Hökelek, Tuncer; Budak, Kıvanç; S̨endi̇l, Kıvılcım; Necefoğlu, Hacali trans-Diaquabis(4-hydroxybenzoato-O)bis(nicotinamide-N)copper(II) Acta Crystallographica Section C 54(3) (1998) 347-348

278,319

2022-10-03

11:56:22

#------------------------------------------------------------------------------ #$Date: 2022-10-03 14:56:21 +0300 (Mon, 03 Oct 2022) $ #$Revision: 278319 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/70/2007044.cif $ #-------------------------------------------------------------------...

2,007,045

8.2968

0.0011

7.7364

0.0011

10.6066

0.0015

90

null

93.434

0.011

90

null

679.59

0.16

293

2

293

2

null

5

P 1 21/n 1

-P 2yn

14

- C5 H6 N2 O2 S -

- C20 H24 N8 O8 S4 -

4

1

AB1500

Casas, José S.; Castiñeiras, Alfonso; Couce, Delfina; Playá, Nuria; Sordo, José; Varela, José M.

1-Acetyl-2-thiohydantoin

Acta Crystallographica Section C

1,998

54

3

427

428

10.1107/S0108270197014960

0.71073

MoKα

0.069

0.04

null

0.115

0.102

null

1.038

1.084

null

has coordinates

Casas, José S.; Castiñeiras, Alfonso; Couce, Delfina; Playá, Nuria; Sordo, José; Varela, José M. 1-Acetyl-2-thiohydantoin Acta Crystallographica Section C 54(3) (1998) 427-428

301,791

2025-08-18

23:15:30

#------------------------------------------------------------------------------ #$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/2/00/70/2007045.cif $ #-------------------------------------------------------------------...

2,007,046

14.612

0.003

10.715

0.003

20.636

0.004

90

null

92.88

0.02

90

null

3,226.8

1.3

150

2

150

2

null

7

P 1 21/c 1

-P 2ybc

14

[Hexakis(N,N-dimethylformamido)nickel(II)] bis(tetrafluoroborate)

- C18 H42 B2 F8 N6 Ni O6 -

- C72 H168 B8 F32 N24 Ni4 O24 -

4

1

AB1501

Li, Wan-Sheung; Blake, Alexander J.; Champness, Neil R.; Schröder, Martin; Bruce, Duncan W.

Hexakis(N,N-dimethylformamide-O)nickel(II) Bis(tetrafluoroborate)

Acta Crystallographica Section C

1,998

54

3

349

351

10.1107/S010827019701398X

0.71073

MoKα

0.0954

0.061

null

0.1391

null

1.139

null

has coordinates,has disorder

Li, Wan-Sheung; Blake, Alexander J.; Champness, Neil R.; Schröder, Martin; Bruce, Duncan W. Hexakis(N,N-dimethylformamide-O)nickel(II) Bis(tetrafluoroborate) Acta Crystallographica Section C 54(3) (1998) 349-351

301,791

2025-08-18

23:15:30

#------------------------------------------------------------------------------ #$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/2/00/70/2007046.cif $ #-------------------------------------------------------------------...

2,007,047

9.421

0.002

9.081

0.002

16.31

0.004

90

null

98.14

0.04

90

null

1,381.3

0.6

150

2

150

2

null

5

P 1 21/c 1

-P 2ybc

14

- C12 H24 Co I6 S6 -

- C24 H48 Co2 I12 S12 -

2

0.5

AB1509

Blake, Alexander J.; Lippolis, Vito; Parsons, Simon; Schröder, Martin

Bis(1,4,7-trithiacyclononane-S,S',S'')cobalt(II) Bis(triiodide)

Acta Crystallographica Section C

1,998

54

3

293

295

10.1107/S0108270197014418

0.71073

MoKα

0.035

0.031

null

0.08

null

1.144

null

has coordinates

Blake, Alexander J.; Lippolis, Vito; Parsons, Simon; Schröder, Martin Bis(1,4,7-trithiacyclononane-S,S',S'')cobalt(II) Bis(triiodide) Acta Crystallographica Section C 54(3) (1998) 293-295

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/2/00/70/2007047.cif $ #-------------------------------------------------------------------...

2,007,048

11.608

0.001

11.986

0.001

12.775

0.001

73.426

0.007

71.549

0.007

62.478

0.007

1,474.7

0.2

298

null

5

P -1

-P 1

2

- C44 H26 Cu4 N12 O38 -

- C44 H26 Cu3 N12 O38 -

1

0.5

AB1512

Hökelek, Tuncer; Mert, Yüksel; Ünaleroğlu, Canan

catena-Poly[[tetrakis(μ-3,5-dinitrobenzoato-O:O')dicopper(II)]bis[(μ-3,5-dinitrobenzoato-O:O')(methanol-O)copper(II)]]

Acta Crystallographica Section C

1,998

54

3

310

313

10.1107/S0108270197014613

0.71073

MoKα

null

0.055

null

0.07

null

2.31

null

has coordinates

Hökelek, Tuncer; Mert, Yüksel; Ünaleroğlu, Canan catena-Poly[[tetrakis(μ-3,5-dinitrobenzoato-O:O')dicopper(II)]bis[(μ-3,5-dinitrobenzoato-O:O')(methanol-O)copper(II)]] Acta Crystallographica Section C 54(3) (1998) 310-313

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/2/00/70/2007048.cif $ #-------------------------------------------------------------------...

2,230,086

8.3526

0.0005

11.815

0.0005

12.2668

0.0004

77.184

0.003

81.289

0.004

71.928

0.004

1,117.7

0.09

296.9

0.2

296.9

0.2

null

5

P -1

-P 1

2

N,N'-Dibenzyl-N,N'-dimethyl-N''- (4-nitrobenzoyl)phosphoric triamide

- C23 H25 N4 O4 P -

- C46 H50 N8 O8 P2 -

2

1

NG5139

Pourayoubi, Mehrdad; Rostami Chaijan, Mahnaz; Torre-Fernández, Laura; García-Granda, Santiago

N,N'-Dibenzyl-N,N'-dimethyl-N''-(4-nitrobenzoyl)phosphoric triamide

Acta Crystallographica Section E

2,011

67

5

o1031

10.1107/S1600536811011275

1.5418

CuKα

0.0385

0.0346

null

0.0894

0.0931

null

1.054

null

has coordinates,has Fobs

Pourayoubi, Mehrdad; Rostami Chaijan, Mahnaz; Torre-Fernández, Laura; García-Granda, Santiago N,N'-Dibenzyl-N,N'-dimethyl-N''-(4-nitrobenzoyl)phosphoric triamide Acta Crystallographica Section E 67(5) (2011) o1031

301,806

2025-08-19

15:27:02

#------------------------------------------------------------------------------ #$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301806 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/00/2230086.cif $ #-------------------------------------------------------------------...

2,007,049

4.3226

0.0006

9.073

0.002

14.284

0.002

90

null

91.73

0.01

90

null

559.95

0.17

295

null

4

P 1 21/c 1

-P 2ybc

14

Ammonium hydrogen hydroxypropanedioate

- C3 H7 N O5 -

- C12 H28 N4 O20 -

4

1

AB1514

Taka, Jun-ichiro; Ogino, Shinya; Kashino, Setsuo

Ammonium Hydrogen Tartronate

Acta Crystallographica Section C

1,998

54

3

384

386

10.1107/S0108270197015126

0.71073

MoKα

null

0.066

null

0.055

null

1.22

null

has coordinates

Taka, Jun-ichiro; Ogino, Shinya; Kashino, Setsuo Ammonium Hydrogen Tartronate Acta Crystallographica Section C 54(3) (1998) 384-386

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/2/00/70/2007049.cif $ #-------------------------------------------------------------------...

2,007,050

8.949

0.002

11.593

0.002

8.6175

0.0009

97.89

0.01

110.715

0.009

100.44

0.02

802.4

0.3

296.2

null

296.2

null

4

P -1

-P 1

2

- C18 H12 Cl N5 -

- C36 H24 Cl2 N10 -

2

1

AB1519

Wang, Zuoxiang; Bai, Zhiping; Yang, Jiaxiang; Okamoto, Ken-ichi; You, Xiaozeng

3,5-Bis(2-pyridyl)-4-p-chlorophenyl-4H-1,2,4-triazole

Acta Crystallographica Section C

1,998

54

3

438

439

10.1107/S0108270197014625

0.7107

MoKα

null

0.038

null

0.0515

null

1.282

null

has coordinates

Wang, Zuoxiang; Bai, Zhiping; Yang, Jiaxiang; Okamoto, Ken-ichi; You, Xiaozeng 3,5-Bis(2-pyridyl)-4-p-chlorophenyl-4H-1,2,4-triazole Acta Crystallographica Section C 54(3) (1998) 438-439

301,791

2025-08-18

23:15:30

#------------------------------------------------------------------------------ #$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/2/00/70/2007050.cif $ #-------------------------------------------------------------------...

2,007,051

9.9029

0.0007

10.1259

0.0006

11.6523

0.0011

79.919

0.006

76.972

0.006

75.994

0.005

1,095.52

0.15

294

1

294

1

null

4

P -1

-P 1

2

Butadiynyl(cyclopentadienyl)(triphenylphosphine)nickel(II)

1,3-Butadiynyl(η^5^-cyclopentadienyl)(triphenylphosphine)nickel(II)

- C27 H21 Ni P -

- C54 H42 Ni2 P2 -

2

1

AB1525

Gallagher, John F.; Butler, Peter; Manning, Anthony R.

(1,3-Butadiynyl-C^1^)(η^5^-cyclopentadienyl)(triphenylphosphine-P)nickel(II)

Acta Crystallographica Section C

1,998

54

3

342

345

10.1107/S0108270197016478

0.7107

MoKα

0.037

0.024

null

0.066

null

1.047

null

has coordinates,has disorder

Gallagher, John F.; Butler, Peter; Manning, Anthony R. (1,3-Butadiynyl-C^1^)(η^5^-cyclopentadienyl)(triphenylphosphine-P)nickel(II) Acta Crystallographica Section C 54(3) (1998) 342-345

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/2/00/70/2007051.cif $ #-------------------------------------------------------------------...

2,007,052

11.097

0.004

18.745

0.005

12.237

0.003

90

null

108.95

0.02

90

null

2,407.5

1.3

295

1

295

1

null

6

P 1 21/n 1

-P 2yn

14

2-(Isopropoxy)-4,12-diphenyl-4-(trifluoromethyl)-1,13-dithia-3,11-diazadispiro[4 .0.4.3]tridec-2,11-diene

- C25 H25 F3 N2 O S2 -

- C100 H100 F12 N8 O4 S8 -

4

1

AB1528

Linden, Anthony; Bojkova, Nina; Heimgartner, Heinz

2-(Isopropoxy)-4,12-diphenyl-4-(trifluoromethyl)-1,13-dithia-3,11-diazadispiro[4.0.4.3]trideca-2,11-diene

Acta Crystallographica Section C

1,998

54

3

373

376

10.1107/S010827019701648X

0.71073

MoKα

0.0547

0.0372

null

0.0882

null

1.038

null

has coordinates,has disorder

Linden, Anthony; Bojkova, Nina; Heimgartner, Heinz 2-(Isopropoxy)-4,12-diphenyl-4-(trifluoromethyl)-1,13-dithia-3,11-diazadispiro[4.0.4.3]trideca-2,11-diene Acta Crystallographica Section C 54(3) (1998) 373-376

301,791

2025-08-18

23:15:30

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2,007,053

16.509

0.0015

8.2204

0.0008

12.7283

0.0012

90

null

90

null

90

null

1,727.4

0.3

160

2

160

2

null

3

P n a 21

P 2c -2n

33

diphenylzirconocene

- C22 H20 Zr -

- C88 H80 Zr4 -

4

1

AB1533

Clegg, William; Horsburgh, Lynne; Lindsay, David M.; Mulvey, Robert E.

Diphenylzirconocene

Acta Crystallographica Section C

1,998

54

3

315

317

10.1107/S0108270197019343

0.71073

MoKα

0.0236

0.0222

null

0.0585

null

1.088

null

has coordinates

Clegg, William; Horsburgh, Lynne; Lindsay, David M.; Mulvey, Robert E. Diphenylzirconocene Acta Crystallographica Section C 54(3) (1998) 315-317

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/2/00/70/2007053.cif $ #-------------------------------------------------------------------...

2,230,085

7.5924

0.0006

8.306

0.0004

11.336

0.0009

78.639

0.005

84.976

0.007

77.497

0.006

683.49

0.09

290

2

290

2

null

5

P -1

-P 1

2

2,6-Dichloro-1-[(1E)-2-(phenylsulfonyl)ethenyl]benzene

- C14 H10 Cl2 O2 S -

- C28 H20 Cl4 O4 S2 -

2

1

NG5134

South, Michael S.; Obiako, Adirika J.; Sykora, Richard E.; Forbes, David C.

2,6-Dichloro-1-[(1E)-2-(phenylsulfonyl)ethenyl]benzene

Acta Crystallographica Section E

2,011

67

5

o1055

10.1107/S1600536811011901

0.71073

MoKα

0.0539

0.0326

null

0.0725

0.0776

null

0.945

null

has coordinates,has Fobs

South, Michael S.; Obiako, Adirika J.; Sykora, Richard E.; Forbes, David C. 2,6-Dichloro-1-[(1E)-2-(phenylsulfonyl)ethenyl]benzene Acta Crystallographica Section E 67(5) (2011) o1055

301,806

2025-08-19

15:27:02

#------------------------------------------------------------------------------ #$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301806 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/00/2230085.cif $ #-------------------------------------------------------------------...

2,007,054

11.044

0.002

11.809

0.002

4.6958

0.0007

92.74

0.01

95.04

0.01

111.337

0.01

566.13

0.17

296

null

5

P -1

-P 1

2

- C13 H10 F3 N O2 -

- C26 H20 F6 N2 O4 -

2

1

BK1297

Jasinski, Jerry P.; Jasinski, John M.; Li, Yu

6,7,8,9-Tetrahydro-4-trifluoromethyl-2H-pyrano[3,2-g]quinolin-2-one, (I), and 6,7,8,9-Tetrahydro-9-ethyl-4-trifluoromethyl-2H-pyrano[3,2-g]quinolin-2-one, (II)

Acta Crystallographica Section C

1,998

54

3

410

412

10.1107/S0108270197007221

0.71069

MoKα

0.067

0.036

null

0.107

0.092

null

1.03

1.09

null

has coordinates

Jasinski, Jerry P.; Jasinski, John M.; Li, Yu 6,7,8,9-Tetrahydro-4-trifluoromethyl-2H-pyrano[3,2-g]quinolin-2-one, (I), and 6,7,8,9-Tetrahydro-9-ethyl-4-trifluoromethyl-2H-pyrano[3,2-g]quinolin-2-one, (II) Acta Crystallographica Section C 54(3) (1998) 410-412

301,791

2025-08-18

23:15:30

#------------------------------------------------------------------------------ #$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/2/00/70/2007054.cif $ #-------------------------------------------------------------------...

2,007,055

9.756

0.004

12.613

0.004

22.443

0.004

90

null

92.45

0.02

90

null

2,759.1

1.5

296

null

5

P 1 21/n 1

-P 2yn

14

- C15 H14 F3 N O2 -

- C120 H112 F24 N8 O16 -

8

2

BK1297

Jasinski, Jerry P.; Jasinski, John M.; Li, Yu

6,7,8,9-Tetrahydro-4-trifluoromethyl-2H-pyrano[3,2-g]quinolin-2-one, (I), and 6,7,8,9-Tetrahydro-9-ethyl-4-trifluoromethyl-2H-pyrano[3,2-g]quinolin-2-one, (II)

Acta Crystallographica Section C

1,998

54

3

410

412

10.1107/S0108270197007221

0.71069

MoKα

0.162

0.055

null

0.184

0.127

null

1

1.17

null

has coordinates

Jasinski, Jerry P.; Jasinski, John M.; Li, Yu 6,7,8,9-Tetrahydro-4-trifluoromethyl-2H-pyrano[3,2-g]quinolin-2-one, (I), and 6,7,8,9-Tetrahydro-9-ethyl-4-trifluoromethyl-2H-pyrano[3,2-g]quinolin-2-one, (II) Acta Crystallographica Section C 54(3) (1998) 410-412

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/2/00/70/2007055.cif $ #-------------------------------------------------------------------...

2,007,056

12.6451

0.0006

11.5793

0.0006

17.7855

0.0009

90

null

99.444

0.001

90

null

2,568.9

0.2

153

2

153

2

null

6

P 1 21/n 1

-P 2yn

14

Bis(tetra-n-butylammonium) hexakis((μ~3~-sulfido)-nitroso-iron)

- C32 H72 Fe6 N8 O6 S6 -

- C64 H144 Fe12 N16 O12 S12 -

2

0.5

BK1352

Geiser, Urs; Williams, Jack M.

Bis(tetra-n-butylammonium) Hexa-μ~3~-sulfido-hexakis(nitrosoiron)

Acta Crystallographica Section C

1,998

54

3

292

293

10.1107/S0108270197013802

0.71073

MoKα

0.055

0.041

null

0.114

0.104

null

1.019

1.017

null

has coordinates

Geiser, Urs; Williams, Jack M. Bis(tetra-n-butylammonium) Hexa-μ~3~-sulfido-hexakis(nitrosoiron) Acta Crystallographica Section C 54(3) (1998) 292-293

301,791

2025-08-18

23:15:30

#------------------------------------------------------------------------------ #$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/2/00/70/2007056.cif $ #-------------------------------------------------------------------...

2,230,084

3.9002

0.0011

10.111

0.003

25.143

0.007

90

null

90

null

90

null

991.5

0.5

298

2

298

2

null

4

P 21 21 21

P 2ac 2ab

19

4-Methylsulfanyl-6-(4-pyridyl)-1,3,5-triazin-2-amine

- C9 H9 N5 S -

- C36 H36 N20 S4 -

4

1

NG5131

Wu, Ya-Pan; Tang, Long; Fu, Feng; Liu, Qi-Rui

4-Methylsulfanyl-6-(4-pyridyl)-1,3,5-triazin-2-amine

Acta Crystallographica Section E

2,011

67

5

o1143

10.1107/S1600536811013171

0.71073

MoKα

0.0633

0.0458

null

0.0896

0.096

null

1.063

null

has coordinates,has Fobs

Wu, Ya-Pan; Tang, Long; Fu, Feng; Liu, Qi-Rui 4-Methylsulfanyl-6-(4-pyridyl)-1,3,5-triazin-2-amine Acta Crystallographica Section E 67(5) (2011) o1143

301,806

2025-08-19

15:27:02

#------------------------------------------------------------------------------ #$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301806 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/00/2230084.cif $ #-------------------------------------------------------------------...

2,007,057

19.6219

0.0004

15.5067

0.0004

19.4399

0.0005

90

null

103.015

0.001

90

null

5,763

0.2

296

2

296

2

null

6

P 1 21/c 1

-P 2ybc

14

Triethylammonium tris(thiobenzoato-O,S)cadmate(II)

- C27 H31 Cd N O3 S3 -

- C216 H248 Cd8 N8 O24 S24 -

8

2

BK1365

Vittal, Jagadese J.; Dean, Philip A. W.

Triethylammonium Tris(thiobenzoato-O,S)cadmate(II)

Acta Crystallographica Section C

1,998

54

3

319

321

10.1107/S0108270197014431

0.71073

MoKα

0.053

0.034

null

0.078

0.07

null

1.025

1.07

null

has coordinates

Vittal, Jagadese J.; Dean, Philip A. W. Triethylammonium Tris(thiobenzoato-O,S)cadmate(II) Acta Crystallographica Section C 54(3) (1998) 319-321

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/2/00/70/2007057.cif $ #-------------------------------------------------------------------...

2,007,058

8.313

0.001

13.367

0.001

18.981

0.001

90

null

90

null

90

null

2,109.2

0.3

293

2

293

2

null

4

P 21 21 21

P 2ac 2ab

19

rotundifoline

E-Seco 9(hydroxy)20-Hβ 19-ethyl rhynchophylline

- C22 H28 N2 O5 -

- C88 H112 N8 O20 -

4

1

BM1144

Ashish Mukhopadhyyay; Samar Kumar Talapatra; Ashin Kumar Saha; Pranab Kumar Lala; Sunil Kumar Mazumdar; Kinkini Bhattacharyya

Rotundifoline, an Oxoindole Alkaloid

Acta Crystallographica Section C

1,998

54

3

399

401

10.1107/S0108270197013528

0.71073

MoKα

0.1818

0.0815

null

0.2448

null

1.058

null

has coordinates,has disorder

Ashish Mukhopadhyyay; Samar Kumar Talapatra; Ashin Kumar Saha; Pranab Kumar Lala; Sunil Kumar Mazumdar; Kinkini Bhattacharyya Rotundifoline, an Oxoindole Alkaloid Acta Crystallographica Section C 54(3) (1998) 399-401

301,791

2025-08-18

23:15:30

#------------------------------------------------------------------------------ #$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/2/00/70/2007058.cif $ #-------------------------------------------------------------------...

2,007,059

9.197

0.001

10.606

0.001

13.259

0.001

90

null

90.94

0.01

90

null

1,293.2

0.2

293

2

293

2

null

4

P 1 21/c 1

-P 2ybc

14

3-Hydroxy-2-ethyl-1-3,5dimethylphenyl pyridin-4-one

- C15 H17 N O2 -

- C60 H68 N4 O8 -

4

1

BM1164

John Burgess; John Fawcett; David R. Russell; Lu Zaisheng

Three N-Aryl-Substituted 3-hydroxypyridin-4-ones

Acta Crystallographica Section C

1,998

54

3

430

433

10.1107/S010827019701127X

0.71073

MoKα

0.0518

0.0424

null

0.1205

0.112

null

1.056

1.081

null

has coordinates

John Burgess; John Fawcett; David R. Russell; Lu Zaisheng Three N-Aryl-Substituted 3-hydroxypyridin-4-ones Acta Crystallographica Section C 54(3) (1998) 430-433

176,432

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176432 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/70/2007059.cif $ #-------------------------------------------------------------------...

2,007,060

7.305

0.001

18.615

0.007

18.296

0.002

90

null

99.81

0.02

90

null

2,451.6

1

293

2

293

2

null

4

P 1 21/n 1

-P 2yn

14

3-Hydroxy-2-ethyl-1-4methylphenyl pyridin-4-one

- C14 H15 N O2 -

- C112 H120 N8 O16 -

8

2

BM1164

John Burgess; John Fawcett; David R. Russell; Lu Zaisheng

Three N-Aryl-Substituted 3-hydroxypyridin-4-ones

Acta Crystallographica Section C

1,998

54

3

430

433

10.1107/S010827019701127X

0.71073

MoKα

0.1

0.054

null

0.1484

0.1214

null

1.017

1.109

null

has coordinates,has disorder

John Burgess; John Fawcett; David R. Russell; Lu Zaisheng Three N-Aryl-Substituted 3-hydroxypyridin-4-ones Acta Crystallographica Section C 54(3) (1998) 430-433

301,791

2025-08-18

23:15:30

#------------------------------------------------------------------------------ #$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/2/00/70/2007060.cif $ #-------------------------------------------------------------------...

2,007,061

7.306

0.001

10.351

0.001

17.321

0.002

86.25

0.01

78.44

0.01

71.92

0.01

1,219.9

0.3

293

2

293

2

null

4

P -1

-P 1

2

3-Hydroxy-2-ethyl-1-4methoxyphenyl pyridin-4-one

- C14 H15 N O3 -

- C56 H60 N4 O12 -

4

2

BM1164

John Burgess; John Fawcett; David R. Russell; Lu Zaisheng

Three N-Aryl-Substituted 3-hydroxypyridin-4-ones

Acta Crystallographica Section C

1,998

54

3

430

433

10.1107/S010827019701127X

0.71073

MoKα

0.0699

0.0491

null

0.1431

0.1201

null

1.071

1.111

null

has coordinates

John Burgess; John Fawcett; David R. Russell; Lu Zaisheng Three N-Aryl-Substituted 3-hydroxypyridin-4-ones Acta Crystallographica Section C 54(3) (1998) 430-433

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/2/00/70/2007061.cif $ #-------------------------------------------------------------------...

2,230,083

10.206

0.001

10.9

0.001

13.461

0.002

68.19

0.01

87.64

0.02

67.08

0.01

1,271.1

0.3

293

2

293

2

null

6

P -1

-P 1

2

4-Chloro-N-phenylbenzenesulfonamide

- C12 H10 Cl N O2 S -

- C48 H40 Cl4 N4 O8 S4 -

4

2

NC2229

Shakuntala, K.; Foro, Sabine; Gowda, B. Thimme

4-Chloro-N-phenylbenzenesulfonamide

Acta Crystallographica Section E

2,011

67

5

o1252

10.1107/S1600536811015108

0.71073

MoKα

0.1014

0.0474

null

0.1182

0.1332

null

0.93

null

has coordinates,has Fobs

Shakuntala, K.; Foro, Sabine; Gowda, B. Thimme 4-Chloro-N-phenylbenzenesulfonamide Acta Crystallographica Section E 67(5) (2011) o1252

301,806

2025-08-19

15:27:02

#------------------------------------------------------------------------------ #$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301806 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/00/2230083.cif $ #-------------------------------------------------------------------...

2,007,062

5.565

0.0007

11.9277

0.0014

12.7732

0.0015

77.935

0.003

84.163

0.003

79.965

0.003

814.56

0.17

190

2

190

2

null

3

P -1

-P 1

2

6-Acety-3,7-diacetoxy-2,2-dimethyl-2H-benzopyran

- C17 H20 O6 -

- C34 H40 O12 -

2

1

BM1179

Jha, Amitaba; Malhotra, Sanjay; Parmar, Virinder S; Errington, William

6-Acetyl-3,4-dihydro-2,2-dimethyl-2H-benzopyran-3,7-diyl Diacetate

Acta Crystallographica Section C

1,998

54

3

361

363

10.1107/S010827019701514X

0.71073

MoKα

0.079

0.052

null

0.14

null

1.043

null

has coordinates,has Fobs

Jha, Amitaba; Malhotra, Sanjay; Parmar, Virinder S; Errington, William 6-Acetyl-3,4-dihydro-2,2-dimethyl-2H-benzopyran-3,7-diyl Diacetate Acta Crystallographica Section C 54(3) (1998) 361-363

301,791

2025-08-18

23:15:30

#------------------------------------------------------------------------------ #$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/2/00/70/2007062.cif $ #-------------------------------------------------------------------...

2,007,063

10.3731

0.0018

5.7516

0.001

22.46

0.004

90

null

101.992

0.004

90

null

1,310.8

0.4

180

2

180

2

null

4

P 1 21/n 1

-P 2yn

14

3',4'-Dimethoxydihydrocinnamoylpyrrole

- C15 H17 N O3 -

- C60 H68 N4 O12 -

4

1

BM1181

Kumar, Rajesh; Parmar, Virinder S.; Errington, William; Wengel, Jesper; Olsen, Carl E.

1-(3,4-Dimethoxy-α,β-dihydrocinnamoyl)pyrrole, a Novel Amide from Piper brachystachyum

Acta Crystallographica Section C

1,998

54

3

363

365

10.1107/S0108270197015606

0.71073

MoKα

0.0642

0.0453

null

0.1192

null

1.023

null

has coordinates

Kumar, Rajesh; Parmar, Virinder S.; Errington, William; Wengel, Jesper; Olsen, Carl E. 1-(3,4-Dimethoxy-α,β-dihydrocinnamoyl)pyrrole, a Novel Amide from Piper brachystachyum Acta Crystallographica Section C 54(3) (1998) 363-365

301,791

2025-08-18

23:15:30

#------------------------------------------------------------------------------ #$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/2/00/70/2007063.cif $ #-------------------------------------------------------------------...

2,007,064

8.629

0.003

9.599

0.003

6.739

0.003

90

null

90.29

0.03

90

null

558.2

0.4

153

2

153

2

null

4

P 1 21/c 1

-P 2ybc

14

3-Trifluoromethyl-5-amino-1H-1,2,4-triazole

- C3 H3 F3 N4 -

- C12 H12 F12 N16 -

4

1

BM1187

Borbulevych, O. Ya.; Shishkin, O. V.; Desenko, S. M.; Chernenko, V. N.; Orlov, V. D.

5-Amino-3-trifluoromethyl-1H-1,2,4-triazole

Acta Crystallographica Section C

1,998

54

3

442

444

10.1107/S0108270197014443

0.71073

MoKα

0.121

0.067

null

0.312

0.172

null

1.059

1.129

null

has coordinates

Borbulevych, O. Ya.; Shishkin, O. V.; Desenko, S. M.; Chernenko, V. N.; Orlov, V. D. 5-Amino-3-trifluoromethyl-1H-1,2,4-triazole Acta Crystallographica Section C 54(3) (1998) 442-444

301,791

2025-08-18

23:15:30

#------------------------------------------------------------------------------ #$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/2/00/70/2007064.cif $ #-------------------------------------------------------------------...

2,007,065

9.835

0.003

11.403

0.003

14.717

0.003

86.75

0.02

84.65

0.02

76.07

0.02

1,594

0.7

153

2

153

2

null

7

P -1

-P 1

2

- C35 H31 Cl2 Fe Hg O P2 -

- C35 H28 Cl2 Fe Hg O P2 -

- C70 H56 Cl4 Fe2 Hg2 O2 P4 -

2

1

BM1195

McGinley, John; McKee, Vickie; McKenzie, Christine J.

Dichloro[ferrocene-1,1'-diylbis(diphenylphosphine-P)]mercury(II) Methanol Solvate

Acta Crystallographica Section C

1,998

54

3

345

347

10.1107/S0108270197014832

0.71073

MoKα

0.057

0.037

null

0.078

null

1.026

null

has coordinates

McGinley, John; McKee, Vickie; McKenzie, Christine J. Dichloro[ferrocene-1,1'-diylbis(diphenylphosphine-P)]mercury(II) Methanol Solvate Acta Crystallographica Section C 54(3) (1998) 345-347

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/2/00/70/2007065.cif $ #-------------------------------------------------------------------...

2,007,066

8.9674

0.0008

9.0604

0.0009

11.8823

0.0011

90

null

96.087

0.008

90

null

959.97

0.16

293

2

293

2

null

3

P 1 21/c 1

-P 2ybc

14

2-Acetyl-5,8-dihydronaphthalene-1-ol

- C12 H12 O2 -

- C48 H48 O8 -

4

1

BM1196

Chinnakali, Kandasamy; Fun, Hoong-Kun; Sriraghavan, Kamaraj; Ramakrishnan, Vaylakkavoor T.

2-Acetyl-5,8-dihydronaphthalen-1-ol

Acta Crystallographica Section C

1,998

54

3

370

371

10.1107/S0108270197015436

0.71073

MoKα

0.077

0.04

null

0.124

0.109

null

0.881

1.087

null

has coordinates

Chinnakali, Kandasamy; Fun, Hoong-Kun; Sriraghavan, Kamaraj; Ramakrishnan, Vaylakkavoor T. 2-Acetyl-5,8-dihydronaphthalen-1-ol Acta Crystallographica Section C 54(3) (1998) 370-371

301,791

2025-08-18

23:15:30

#------------------------------------------------------------------------------ #$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/2/00/70/2007066.cif $ #-------------------------------------------------------------------...

2,230,082

12.7401

0.0006

9.7095

0.0003

18.4622

0.0007

90

null

93.518

0.002

90

null

2,279.47

0.15

293

2

293

2

null

6

P 1 21/c 1

-P 2ybc

14

Aqua(sulfato-κO)bis[2-(1,3-thiazol-4-yl-κN)-1H- benzimidazole-κN^3^]iron(II)

- C20 H16 Fe N6 O5 S3 -

- C80 H64 Fe4 N24 O20 S12 -

4

1

NC2220

Wang, Ying; Zhuang, Chang-Fu

Aqua(sulfato-κO)bis[2-(1,3-thiazol-4-yl-κN)-1H-benzimidazole-κN^3^]iron(II)

Acta Crystallographica Section E

2,011

67

5

m633

10.1107/S160053681101405X

0.71073

MoKα

0.062

0.0412

null

0.1039

0.1136

null

1.028

null

has coordinates,has Fobs

Wang, Ying; Zhuang, Chang-Fu Aqua(sulfato-κO)bis[2-(1,3-thiazol-4-yl-κN)-1H-benzimidazole-κN^3^]iron(II) Acta Crystallographica Section E 67(5) (2011) m633

301,806

2025-08-19

15:27:02

#------------------------------------------------------------------------------ #$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301806 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/00/2230082.cif $ #-------------------------------------------------------------------...

2,007,067

11.4598

0.001

12.5892

0.0011

11.1347

0.0012

90

null

97.996

0.007

90

null

1,590.8

0.3

293

2

293

2

null

4

P 1 21/c 1

-P 2ybc

14

2,2'-piperazin-1,4-diyldimethylene-bis[6-(cyclohexyliminimethyl) -4-methylphenol]

- C34 H48 N4 O2 -

- C68 H96 N8 O4 -

2

0.5

BM1205

Thirumurugan, R.; Shanmuga Sundara Raj, S.; Shanmugam, G.; Chinnakali, Kandasamy; Razak, Ibrahim Abdul; Fun, Hoong-Kun; Marappan, M.; Kandaswamy, M.

1,4-Bis[3-(N-cyclohexyliminomethyl)-2-hydroxy-5-methylbenzyl]piperazine

Acta Crystallographica Section C

1,998

54

3

365

367

10.1107/S0108270197016934

0.71073

MoKα

0.096

0.043

null

0.124

0.105

null

0.866

1.085

null

has coordinates

Thirumurugan, R.; Shanmuga Sundara Raj, S.; Shanmugam, G.; Chinnakali, Kandasamy; Razak, Ibrahim Abdul; Fun, Hoong-Kun; Marappan, M.; Kandaswamy, M. 1,4-Bis[3-(N-cyclohexyliminomethyl)-2-hydroxy-5-methylbenzyl]piperazine Acta Crystallographica Section C 54(3) (1998) 365-367

301,791

2025-08-18

23:15:30

#------------------------------------------------------------------------------ #$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/2/00/70/2007067.cif $ #-------------------------------------------------------------------...

2,007,068

10.532

0.002

12.384

0.002

18.095

0.005

88.71

0.02

99.55

0.02

99.99

0.02

2,292.1

0.9

296

null

6

P 1 1 2

P 2

3

Tatraethylammonium Bis(tripenylphosphino)copper(I)(2,2-dicyano-1,1- ethylenedithiolate, (Et~4~N)[Cu(PPh~3~)~2~{S~2~C~2~(CN)~2~}]

- C48 H50 Cu N3 P2 S2 -

- C96 H100 Cu2 N6 P4 S4 -

2

1

BS1018

Su, Weiping; Hong, Maochun; Cao, Rong; Liu, Hanqin

Tetraethylammonium (2,2-Dicyano-1,1-ethylenedithiolato-S,S')bis(triphenylphosphino-P)copper(I), (Et~4~ N)[Cu(PPh~3~)~2~{S~2~C~2~(CN)~2~}]

Acta Crystallographica Section C

1,998

54

3

337

338

10.1107/S0108270197009815

0.71073

MoKα

null

0.052

null

0.059

null

1.44

null

has coordinates

Su, Weiping; Hong, Maochun; Cao, Rong; Liu, Hanqin Tetraethylammonium (2,2-Dicyano-1,1-ethylenedithiolato-S,S')bis(triphenylphosphino-P)copper(I), (Et~4~ N)[Cu(PPh~3~)~2~{S~2~C~2~(CN)~2~}] Acta Crystallographica Section C 54(3) (1998) 337-338

278,246

2022-09-28

14:48:12

#------------------------------------------------------------------------------ #$Date: 2022-09-28 17:48:07 +0300 (Wed, 28 Sep 2022) $ #$Revision: 278246 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/70/2007068.cif $ #-------------------------------------------------------------------...

2,007,069

18.123

0.004

7.924

0.002

17.732

0.004

90

null

111.11

0.03

90

null

2,375.5

1.1

293

2

293

2

null

5

C 1 2/c 1

-C 2yc

15

Rac-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraaza- cyclotetradecane Hydrochloride Trihydrate

- C16 H44 Cl2 N4 O3 -

- C64 H176 Cl8 N16 O12 -

4

0.5

CF1175

Simonov, Yurii A.; Bocelli, Gabriele; Fonari, Marina S.; Ganin, Edward V.; Popkov, Yurii A.

Inclusion Complex of rac-5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane with Hydrochloride and Water

Acta Crystallographica Section C

1,998

54

3

433

436

10.1107/S0108270197013292

1.5418

CuKα

0.0392

0.0372

null

0.1069

0.0951

null

1.023

1.024

null

has coordinates

Simonov, Yurii A.; Bocelli, Gabriele; Fonari, Marina S.; Ganin, Edward V.; Popkov, Yurii A. Inclusion Complex of rac-5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane with Hydrochloride and Water Acta Crystallographica Section C 54(3) (1998) 433-436

301,791

2025-08-18

23:15:30

#------------------------------------------------------------------------------ #$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/2/00/70/2007069.cif $ #-------------------------------------------------------------------...

2,018,072

6.859

0.002

7.114

0.003

8.939

0.003

89.13

0.03

76

0.03

81.18

0.03

418.1

0.3

100

2

100

2

null

4

P -1

-P 1

2

cyclic dihydroxyacetone phosphate (cDHAP) dimethyl acetal

5,5-dimethoxy-2-oxo-1,3,2-dioxaphosphorinane-2-ol

- C5 H11 O6 P -

- C10 H22 O12 P2 -

2

1

MX3045

Ślepokura, Katarzyna; Mitaszewska, Irmina

Acidic and anionic forms of 1,3-cyclic dihydroxyacetone phosphate (cDHAP) dimethyl acetal

Acta Crystallographica Section C

2,011

67

5

o161

o165

10.1107/S0108270111011723

0.71073

MoKα

0.0349

0.0304

null

0.0843

0.0861

null

1.08

null

has coordinates,has Fobs

Ślepokura, Katarzyna; Mitaszewska, Irmina Acidic and anionic forms of 1,3-cyclic dihydroxyacetone phosphate (cDHAP) dimethyl acetal Acta Crystallographica Section C 67(5) (2011) o161-o165

301,798

2025-08-19

6:44:11

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/80/2018072.cif $ #-------------------------------------------------------------------...

2,007,070

13.154

0.007

13.154

0.007

11.869

0.008

90

null

90

null

90

null

2,054

2

293

2

293

2

null

4

P 41

P 4w

76

[N-(1'-Phenylethyl)-2-azabicyclo[4,3,0]-6-allyl-8,8-dimethyl-3-oxonon -5-yl]-carboxylic acid

- C22 H27 N O3 -

- C88 H108 N4 O12 -

4

1

CF1188

Chiaroni, Angèle; Riche, Claude; Dumas Franc̨oise; Mauduit, Marc; Miet, Christine

6-Allyl-8,8-dimethyl-3-oxo-2-(1-phenylethyl)-2-azabicyclo[4.3.0]non-1(9)-ene-5-carboxylic Acid, a Key Compound in the Asymmetric Synthesis of Quadrone

Acta Crystallographica Section C

1,998

54

3

401

403

10.1107/S0108270197015448

0.7107

MoKα

0.04

0.031

null

0.095

0.073

null

1.083

1.095

null

has coordinates

Chiaroni, Angèle; Riche, Claude; Dumas Franc̨oise; Mauduit, Marc; Miet, Christine 6-Allyl-8,8-dimethyl-3-oxo-2-(1-phenylethyl)-2-azabicyclo[4.3.0]non-1(9)-ene-5-carboxylic Acid, a Key Compound in the Asymmetric Synthesis of Quadrone Acta Crystallographica Section C 54(3) (1998) 401-403

301,791

2025-08-18

23:15:30

#------------------------------------------------------------------------------ #$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/2/00/70/2007070.cif $ #-------------------------------------------------------------------...

2,007,071

9.3028

0.001

8.5506

0.0006

23.96

0.002

90

null

97.636

0.008

90

null

1,889

0.3

293

2

293

2

null

4

P 1 21/c 1

-P 2ybc

14

8-Acetyl-4-methyl-9-phenylthio-7,8,9,10-tetrahydro-7,8-benzocoumarin

- C22 H20 O4 S -

- C88 H80 O16 S4 -

4

1

CF1196

Chinnakali, Kandasamy; Fun, Hoong-Kun; Sriraghavan, Kamaraj; Ramakrishnan, Vaylakkavoor T.

8-Acetyl-4-methyl-9-phenylthio-7,8,9,10-tetrahydro-7,8-benzocoumarin

Acta Crystallographica Section C

1,998

54

3

367

368

10.1107/S0108270197014522

0.71073

MoKα

0.05

0.04

null

0.116

0.111

null

1.048

1.131

null

has coordinates

Chinnakali, Kandasamy; Fun, Hoong-Kun; Sriraghavan, Kamaraj; Ramakrishnan, Vaylakkavoor T. 8-Acetyl-4-methyl-9-phenylthio-7,8,9,10-tetrahydro-7,8-benzocoumarin Acta Crystallographica Section C 54(3) (1998) 367-368

301,791

2025-08-18

23:15:30

#------------------------------------------------------------------------------ #$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/2/00/70/2007071.cif $ #-------------------------------------------------------------------...

2,007,072

8.9

0.002

11.508

0.002

7.7675

0.001

94.713

0.014

107.873

0.013

67.784

0.014

700.4

0.2

293

2

293

2

null

5

P -1

-P 1

2

diphenylsulfoximidium hydrogen sulfate

- C12 H13 N O5 S2 -

- C12 H13 N O5.02 S2 -

- C24 H26 N2 O10.04 S4 -

2

1

CF1214

Longridge, John J.; Rawson, Jeremy M.; Feeder, Neil; Raithby, Paul R.

The First Structural Characterization of a Sulfoximidium Salt

Acta Crystallographica Section C

1,998

54

3

398

399

10.1107/S0108270197016569

0.71069

MoKα

0.052

0.0357

null

0.0993

0.0896

null

1.026

1.064

null

has coordinates

Longridge, John J.; Rawson, Jeremy M.; Feeder, Neil; Raithby, Paul R. The First Structural Characterization of a Sulfoximidium Salt Acta Crystallographica Section C 54(3) (1998) 398-399

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/2/00/70/2007072.cif $ #-------------------------------------------------------------------...

2,007,073

11.503

0.005

17.843

0.005

19.132

0.009

90

null

106.51

0.03

90

null

3,765

3

293

2

293

2

null

6

P 1 21/c 1

-P 2ybc

14

2,2-di-t-butylamino-4,4,6,6-tetrakis(3,5-dimethylpyrazol-1-yl)- cycltriphosphazene cobalt(II)chloride

- C28 H48 Cl2 Co N13 P3 -

- C112 H192 Cl8 Co4 N52 P12 -

4

1

DE1067

K. R. Justin Thomas

A Novel Cyclotriphosphazene Complex with a Short Transannular P···P Contact

Acta Crystallographica Section C

1,998

54

3

331

333

10.1107/S0108270197015114

0.71073

MoKα

0.0472

0.0327

null

0.0893

0.077

null

1.088

1.057

null

has coordinates,has Fobs

K. R. Justin Thomas A Novel Cyclotriphosphazene Complex with a Short Transannular P···P Contact Acta Crystallographica Section C 54(3) (1998) 331-333

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/2/00/70/2007073.cif $ #-------------------------------------------------------------------...

2,018,071

6.678

0.002

8.877

0.002

24.93

0.006

90

null

90

null

90

null

1,477.9

0.7

120

2

120

2

null

5

P 21 21 21

P 2ac 2ab

19

cyclic dihydroxyacetone phosphate (cDHAP) dimethyl acetal cyclohexylammonium salt

cyclohexylammonium 5,5-dimethoxy-2-oxo-1,3,2-dioxaphosphinane-2-olate

- C11 H24 N O6 P -

- C44 H96 N4 O24 P4 -

4

1

MX3045

Ślepokura, Katarzyna; Mitaszewska, Irmina

Acidic and anionic forms of 1,3-cyclic dihydroxyacetone phosphate (cDHAP) dimethyl acetal

Acta Crystallographica Section C

2,011

67

5

o161

o165

10.1107/S0108270111011723

1.5418

CuKα

0.0632

0.0371

null

0.055

0.0596

null

1.023

null

has coordinates,has Fobs

Ślepokura, Katarzyna; Mitaszewska, Irmina Acidic and anionic forms of 1,3-cyclic dihydroxyacetone phosphate (cDHAP) dimethyl acetal Acta Crystallographica Section C 67(5) (2011) o161-o165

301,798

2025-08-19

6:44:11

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/80/2018071.cif $ #-------------------------------------------------------------------...

2,007,074

8.597

0.001

15.42

0.002

22.449

0.003

90

null

90

0.02

90

null

2,976

0.7

293

2

293

2

null

5

P b c a

-P 2ac 2ab

61

- C14 H11 N3 O5 S -

- C112 H88 N24 O40 S8 -

8

1

DU1181

Hdii, Fatiha; Reboul, Jean-Pierre; Barbe, Jacques; Siri, Didier; Pepe, Gerard

2-Acétamido-2',4'-dinitrodiphénylsulfure

Acta Crystallographica Section C

1,998

54

3

391

392

10.1107/S0108270197013462

0.71069

MoKα

0.0476

0.0438

null

0.0897

0.0893

null

0.968

1.292

null

has coordinates

Hdii, Fatiha; Reboul, Jean-Pierre; Barbe, Jacques; Siri, Didier; Pepe, Gerard 2-Acétamido-2',4'-dinitrodiphénylsulfure Acta Crystallographica Section C 54(3) (1998) 391-392

301,791

2025-08-18

23:15:30

#------------------------------------------------------------------------------ #$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/2/00/70/2007074.cif $ #-------------------------------------------------------------------...

2,007,075

8.7286

0.0006

8.0635

0.0006

12.261

0.0009

90

null

105.79

0.001

90

null

830.4

0.1

293

2

null

5

P 1 21 1

P 2yb

4

(-)-sparteine copper(II) chloride

- C15 H26 Cl2 Cu N2 -

- C30 H52 Cl4 Cu2 N4 -

2

1

FG1370

Lopez, Susan; Muravyov, Igor; Pulley, Shon R.; Keller, Steven W.

Dichloro[({-})-sparteine-N,N']copper(II)

Acta Crystallographica Section C

1,998

54

3

355

357

10.1107/S0108270197015886

0.7107

MoKα

0.0487

0.0414

null

0.0994

null

0.979

1.022

null

has coordinates

Lopez, Susan; Muravyov, Igor; Pulley, Shon R.; Keller, Steven W. Dichloro[({-})-sparteine-N,N']copper(II) Acta Crystallographica Section C 54(3) (1998) 355-357

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/2/00/70/2007075.cif $ #-------------------------------------------------------------------...

2,007,076

12.433

0.002

6.629

0.001

24.559

0.004

90

null

93.38

0.01

90

null

2,020.6

0.6

293

2

293

2

null

3

C 1 2 1

C 2y

5

22,23-Bisnor-5α-cholanic acid-3-one

(+)-22,23-Bisnor-3-oxo-5α-cholanic Acid

- C22 H34 O3 -

- C88 H136 O12 -

4

1

FG1381

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

(+)-3-Oxo-23,24-dinor-5α-cholan-22-oic Acid: Hydrogen-Bonding Patterns in a Steroidal Keto Acid and its Monohydrate

Acta Crystallographica Section C

1,998

54

3

421

424

10.1107/S0108270197016296

0.71073

MoKα

0.188

0.073

null

0.156

0.109

null

1.05

1.22

null

has coordinates

Lalancette, Roger A.; Thompson, Hugh W.; Brunskill, Andrew P. J. (+)-3-Oxo-23,24-dinor-5α-cholan-22-oic Acid: Hydrogen-Bonding Patterns in a Steroidal Keto Acid and its Monohydrate Acta Crystallographica Section C 54(3) (1998) 421-424

301,791

2025-08-18

23:15:30

#------------------------------------------------------------------------------ #$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/2/00/70/2007076.cif $ #-------------------------------------------------------------------...

2,007,077

12.696

0.003

6.168

0.002

26.784

0.007

90

null

101.26

0.02

90

null

2,057.1

1

293

2

293

2

null

3

C 1 2 1

C 2y

5

22,23-Bisnor-5α-cholanic acid-3-one Monohydrate

(+)-22,23-Bisnor-3-oxo-5α-cholanic Acid Monohydrate

- C22 H36 O4 -

- C88 H144 O16 -

4

1

FG1381

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

(+)-3-Oxo-23,24-dinor-5α-cholan-22-oic Acid: Hydrogen-Bonding Patterns in a Steroidal Keto Acid and its Monohydrate

Acta Crystallographica Section C

1,998

54

3

421

424

10.1107/S0108270197016296

0.71073

MoKα

0.062

0.044

null

0.131

0.106

null

1.05

1.09

null

has coordinates

Lalancette, Roger A.; Thompson, Hugh W.; Brunskill, Andrew P. J. (+)-3-Oxo-23,24-dinor-5α-cholan-22-oic Acid: Hydrogen-Bonding Patterns in a Steroidal Keto Acid and its Monohydrate Acta Crystallographica Section C 54(3) (1998) 421-424

301,791

2025-08-18

23:15:30

#------------------------------------------------------------------------------ #$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/2/00/70/2007077.cif $ #-------------------------------------------------------------------...

2,007,078

36.12

0.002

36.12

0.002

14.787

0.001

90

null

90

null

120

null

16,707.3

1.7

295

null

295

null

3

R -3 :H

-R 3

148

- C42 H34 O2 -

- C41.9997 H33.4286 O1.99971 -

- C881.994 H702 O41.994 -

21

1.16667

FG1398

Benites, Maria del Rosario; Hammer, Robert P.; Fronczek, Frank R.

1,4-Bis(triphenylmethoxy)-2-butyne, Rhombohedral with Z' = 7/6

Acta Crystallographica Section C

1,998

54

3

412

415

10.1107/S0108270197016703

1.54184

CuKα

0.083

0.057

null

0.059

null

1.206

null

has coordinates

Benites, Maria del Rosario; Hammer, Robert P.; Fronczek, Frank R. 1,4-Bis(triphenylmethoxy)-2-butyne, Rhombohedral with Z' = 7/6 Acta Crystallographica Section C 54(3) (1998) 412-415

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/2/00/70/2007078.cif $ #-------------------------------------------------------------------...

2,018,070

7.064

0.002

8.475

0.004

13.966

0.006

102.48

0.03

92.58

0.03

99.96

0.03

801.1

0.6

100

2

100

2

null

5

P -1

-P 1

2

cyclic dihydroxyacetone phosphate (cDHAP) dimethyl acetal cyclohexylammonium salt monohydrate

cyclohexylammonium 5,5-dimethoxy-2-oxo-1,3,2-dioxaphosphinane-2-olate monohydrate

- C11 H26 N O7 P -

- C22 H52 N2 O14 P2 -

2

1

MX3045

Ślepokura, Katarzyna; Mitaszewska, Irmina

Acidic and anionic forms of 1,3-cyclic dihydroxyacetone phosphate (cDHAP) dimethyl acetal

Acta Crystallographica Section C

2,011

67

5

o161

o165

10.1107/S0108270111011723

0.71073

MoKα

0.0453

0.0341

null

0.091

0.0942

null

1.032

null

has coordinates,has Fobs

Ślepokura, Katarzyna; Mitaszewska, Irmina Acidic and anionic forms of 1,3-cyclic dihydroxyacetone phosphate (cDHAP) dimethyl acetal Acta Crystallographica Section C 67(5) (2011) o161-o165

301,798

2025-08-19

6:44:11

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2,007,079

6.8684

0.001

11.537

0.002

17.079

0.003

90

null

90

null

90

null

1,353.4

0.4

293

1

293

1

null

5

P 21 21 21

P 2ac 2ab

19

Cyclic Selenenamide

[3aR-(3aα,4α,7α,7aα)]-2-Acetylhexahydro-4,8,8-trimethyl-4,7-methano- 1,2-benzisoselenazol-3a(4H)-ol

- C13 H21 N O2 Se -

- C52 H84 N4 O8 Se4 -

4

1

FG1405

Back, Thomas G.; Dyck, Brian P.; Nan, Siqiao; Parvez, Masood

[3aR-(3aα,4α,7α,7aα)]-2-Acetyl-4,8,8-trimethylperhydro-4,7-methano-1,2-benzisoselenazol-3a-ol

Acta Crystallographica Section C

1,998

54

3

425

427

10.1107/S0108270197015916

1.54178

CuKα

0.037

0.033

null

0.088

0.085

null

1.113

1.107

null

has coordinates

Back, Thomas G.; Dyck, Brian P.; Nan, Siqiao; Parvez, Masood [3aR-(3aα,4α,7α,7aα)]-2-Acetyl-4,8,8-trimethylperhydro-4,7-methano-1,2-benzisoselenazol-3a-ol Acta Crystallographica Section C 54(3) (1998) 425-427

301,791

2025-08-18

23:15:30

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2,007,080

12.346

0.003

5.244

0.003

14.362

0.002

90

null

94.77

0.02

90

null

926.6

0.6

296

null

4

P 1 21/a 1

-P 2yab

14

- C11 H11 N O2 -

- C44 H44 N4 O8 -

4

1

FR1089

Okabe, Nobuo; Adachi, Yukari

1H-Indole-3-propionic Acid

Acta Crystallographica Section C

1,998

54

3

386

387

10.1107/S010827019701593X

0.71069

MoKα

null

0.042

null

0.045

null

1.63

null

has coordinates

Okabe, Nobuo; Adachi, Yukari 1H-Indole-3-propionic Acid Acta Crystallographica Section C 54(3) (1998) 386-387

301,791

2025-08-18

23:15:30

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2,007,081

14.645

0.0009

17.9176

0.0012

8.152

0.0005

90

null

114.188

0.001

90

null

1,951.3

0.2

173

2

173

2

null

5

C 1 2/c 1

-C 2yc

15

- C12 H19 Na O12 Rh2 -

- C48 H76 Na4 O48 Rh8 -

4

0.5

FR1090

Wei, Xinyi; Dickman, Michael H.; Pope, Michael T.

Sodium Hydrogen Hexaacetatodirhodate(II)

Acta Crystallographica Section C

1,998

54

3

351

352

10.1107/S0108270197014662

0.71073

MoKα

0.0412

0.033

null

0.069

0.0651

null

1.16

null

has coordinates

Wei, Xinyi; Dickman, Michael H.; Pope, Michael T. Sodium Hydrogen Hexaacetatodirhodate(II) Acta Crystallographica Section C 54(3) (1998) 351-352

301,791

2025-08-18

23:15:30

#------------------------------------------------------------------------------ #$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/2/00/70/2007081.cif $ #-------------------------------------------------------------------...

2,007,082

9.831

0.003

9.817

0.002

13.488

0.004

90

null

107.11

0.02

90

null

1,244.1

0.6

292

2

292

2

null

4

P 1 21/n 1

-P 2yn

14

(3aα,7aα)-Chloromethyl-8,8-dichloro-2,3-dihydro-5-methoxy-3a,7a-methano- 1H-indene

- C12 H13 Cl3 O -

- C48 H52 Cl12 O4 -

4

1

HA1196

Mackay, Maureen F.; Banwell, Martin G.; Pallich, Susanne; Phyland, James R.

A gem-Dichloro[4.3.1]propellane and a gem-Dichloro[5.3.1]propellenone

Acta Crystallographica Section C

1,998

54

3

378

380

10.1107/S0108270197014893

1.5418

CuKα

0.062

0.05

null

0.145

0.119

null

1.152

1.059

null

has coordinates

Mackay, Maureen F.; Banwell, Martin G.; Pallich, Susanne; Phyland, James R. A gem-Dichloro[4.3.1]propellane and a gem-Dichloro[5.3.1]propellenone Acta Crystallographica Section C 54(3) (1998) 378-380

301,791

2025-08-18

23:15:30

#------------------------------------------------------------------------------ #$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/2/00/70/2007082.cif $ #-------------------------------------------------------------------...