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

2,013,460

10.942

0.004

11.63

0.004

12.906

0.004

104.615

0.006

93.419

0.006

93.292

0.006

1,581.9

0.9

293

2

null

4

P -1

-P 1

2

2,3-Bis(2-pyridyl)-5-nitroquinoxaline

- C18 H11 N5 O2 -

- C72 H44 N20 O8 -

4

2

GG1166

Miao Du; Xiao-Jun Zhao

5-Nitro-2,3-bis(2-pyridyl)quinoxaline

Acta Crystallographica Section C

2,003

59

7

o403

o405

10.1107/S0108270103012022

0.71073

MoKα

0.099

0.046

null

0.0935

0.1083

null

1.039

null

has coordinates,has Fobs

Miao Du; Xiao-Jun Zhao 5-Nitro-2,3-bis(2-pyridyl)quinoxaline Acta Crystallographica Section C 59(7) (2003) o403-o405

301,798

2025-08-19

6:42:14

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2,013,461

7.4986

0.0001

13.0997

0.0002

29.5866

0.0006

90

null

90

null

90

null

2,906.27

0.08

120

2

120

2

null

5

P 21 21 21

P 2ac 2ab

19

Potassium N-(6-amino-3,4-dihydro-3-methyl-5-nitroso- 4-oxopyrimidin-2-yl)-(S)-aspartate N-(6-amino-3,4-dihydro-3-methyl- 5-nitroso-4-oxopyrimidin-2-yl)-(S)-aspartic acid 4.88(hydrate)

- C18 H30.76 K N10 O16.88 -

- C18 H30.532 K N10 O16.883 -

- C72 H122.128 K4 N40 O67.532 -

4

1

GG1168

Cuesta, Rafael; Glidewell, Christopher; López, Rafael; Low, John N.

Potassium N-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)-(S)-aspartate N-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)-(S)-aspartic acid 4.88-hydrate: a two-dimensional coordination polymer

Acta Crystallographica Section C

2,003

59

8

m315

m318

10.1107/S0108270103013106

0.71073

MoKα

0.0726

0.0518

null

0.1036

0.1144

null

1.038

null

has coordinates,has disorder,has Fobs

Cuesta, Rafael; Glidewell, Christopher; López, Rafael; Low, John N. Potassium N-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)-(S)-aspartate N-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)-(S)-aspartic acid 4.88-hydrate: a two-dimensional coordination polymer Act...

176,760

2020-10-21

18:00:00

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2,013,462

10.7611

0.0004

8.0306

0.0003

34.9826

0.0017

90

null

98.574

0.0015

90

null

2,989.3

0.2

120

2

120

2

null

4

P 1 21/c 1

-P 2ybc

14

2-Benzylamino-6-benzyloxypyrimidin-4(3H)-one

- C18 H17 N3 O2 -

- C144 H136 N24 O16 -

8

2

GG1169

Quesada, Antonio; Melguizo, Manuel; Low, John N.; Glidewell, Christopher

2-Benzylamino-6-benzyloxypyrimidin-4(3H)-one: hydrogen-bonded chains of rings linked into sheets by a π–π-stacking interaction

Acta Crystallographica Section C

2,003

59

7

o400

o402

10.1107/S0108270103011132

0.71073

MoKα

0.106

0.0615

null

0.1268

0.1463

null

1.026

null

has coordinates,has Fobs

Quesada, Antonio; Melguizo, Manuel; Low, John N.; Glidewell, Christopher 2-Benzylamino-6-benzyloxypyrimidin-4(3H)-one: hydrogen-bonded chains of rings linked into sheets by a π–π-stacking interaction Acta Crystallographica Section C 59(7) (2003) o400-o402

301,798

2025-08-19

6:42:14

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2,013,463

11.3625

0.0002

9.5848

0.0002

8.0433

0.0002

102.241

0.0008

94.2412

0.0011

97.7735

0.0011

843.41

0.03

120

2

120

2

null

5

P -1

-P 1

2

bis[6-amino-3-methyl-5-nitrosopyrimidine-2,4(1H,3H)-dionato]diaquazinc(II) dihydrate

- C10 H18 N8 O10 Zn -

- C20 H36 N16 O20 Zn2 -

2

1

GG1171

López Garzón, Rafael; Godino Salido, M. Luz; Low, John N.; Glidewell, Christopher

Bis[6-amino-3-methyl-5-nitrosopyrimidine-2,4(1H,3H)-dionato]diaquazinc(II) dihydrate, redetermined at 120K: a three-dimensional hydrogen-bonded framework

Acta Crystallographica Section C

2,003

59

7

m291

m293

10.1107/S0108270103011168

0.71073

MoKα

0.0332

0.0276

null

0.0822

0.1016

null

1.212

null

has coordinates,has Fobs

López Garzón, Rafael; Godino Salido, M. Luz; Low, John N.; Glidewell, Christopher Bis[6-amino-3-methyl-5-nitrosopyrimidine-2,4(1H,3H)-dionato]diaquazinc(II) dihydrate, redetermined at 120K: a three-dimensional hydrogen-bonded framework Acta Crystallographica Section C 59(7) (2003) m291-m293

176,760

2020-10-21

18:00:00

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2,013,464

9.7139

0.0002

9.5846

0.0002

12.6431

0.0002

90

null

103.447

0.0013

90

null

1,144.85

0.04

120

1

120

1

null

5

P 1 21/c 1

-P 2ybc

14

4-Amino-1-benzyl-2-(methylsulfanyl)pyrimidin-6(1H)-one, polymorph with Z' = 1

- C12 H13 N3 O S -

- C48 H52 N12 O4 S4 -

4

1

GG1172

Glidewell, Christopher; Low, John N.; Marchal, Antonio; Quesada, Antonio

Benzylation and nitrosation of 4-amino-2-(methylsulfanyl)pyrimidin-6(1H)-one: two P2~1~/c polymorphs of 4-amino-1-benzyl-2-(methylsulfanyl)pyrimidin-6(1H)-one with Z'=1 and 2, 4-amino-6-benzyloxy-2-(methylsulfanyl)pyrimidine and 4-amino-1-benzyl-2-(methylsulfanyl)-5-nitrosopyrimidin-6...

Acta Crystallographica Section C

2,003

59

8

o454

o460

10.1107/S0108270103013465

0.71073

MoKα

0.0431

0.0348

null

0.0867

0.0907

null

1.064

null

has coordinates,has Fobs

Glidewell, Christopher; Low, John N.; Marchal, Antonio; Quesada, Antonio Benzylation and nitrosation of 4-amino-2-(methylsulfanyl)pyrimidin-6(1H)-one: two P2~1~/c polymorphs of 4-amino-1-benzyl-2-(methylsulfanyl)pyrimidin-6(1H)-one with Z'=1 and 2, 4-amino-6-benzyloxy-2-(methylsulfany...

301,798

2025-08-19

6:42:14

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2,013,465

11.4629

0.0002

10.2603

0.0002

20.9303

0.0004

90

null

107.092

0.0014

90

null

2,352.95

0.08

120

1

120

1

null

5

P 1 21/c 1

-P 2ybc

14

4-Amino-1-benzyl-2-(methylsulfanyl)pyrimidin-6(1H)-one, polymorph with Z' = 2 'C12 H13 N3 O S'

- C24 H25.95 N6.05 O2.05 S2 -

- C96 H103.8 N24.2 O8.2 S8 -

4

1

GG1172

Glidewell, Christopher; Low, John N.; Marchal, Antonio; Quesada, Antonio

Benzylation and nitrosation of 4-amino-2-(methylsulfanyl)pyrimidin-6(1H)-one: two P2~1~/c polymorphs of 4-amino-1-benzyl-2-(methylsulfanyl)pyrimidin-6(1H)-one with Z'=1 and 2, 4-amino-6-benzyloxy-2-(methylsulfanyl)pyrimidine and 4-amino-1-benzyl-2-(methylsulfanyl)-5-nitrosopyrimidin-6...

Acta Crystallographica Section C

2,003

59

8

o454

o460

10.1107/S0108270103013465

0.71073

MoKα

0.0608

0.0465

null

0.1116

0.1193

null

1.062

null

has coordinates,has disorder,has Fobs

Glidewell, Christopher; Low, John N.; Marchal, Antonio; Quesada, Antonio Benzylation and nitrosation of 4-amino-2-(methylsulfanyl)pyrimidin-6(1H)-one: two P2~1~/c polymorphs of 4-amino-1-benzyl-2-(methylsulfanyl)pyrimidin-6(1H)-one with Z'=1 and 2, 4-amino-6-benzyloxy-2-(methylsulfany...

176,760

2020-10-21

18:00:00

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2,013,466

10.5035

0.0003

10.8741

0.0003

11.8261

0.0004

109.651

0.0013

96.4203

0.0014

93.7181

0.0014

1,256.49

0.07

120

1

120

1

null

5

P -1

-P 1

2

4-Amino-1-benzyl-2-(methylsulfanyl)-5-nitrosopyrimidin-6(1H)-one

- C12 H12 N4 O2 S -

- C48 H48 N16 O8 S4 -

4

2

GG1172

Glidewell, Christopher; Low, John N.; Marchal, Antonio; Quesada, Antonio

Benzylation and nitrosation of 4-amino-2-(methylsulfanyl)pyrimidin-6(1H)-one: two P2~1~/c polymorphs of 4-amino-1-benzyl-2-(methylsulfanyl)pyrimidin-6(1H)-one with Z'=1 and 2, 4-amino-6-benzyloxy-2-(methylsulfanyl)pyrimidine and 4-amino-1-benzyl-2-(methylsulfanyl)-5-nitrosopyrimidin-6...

Acta Crystallographica Section C

2,003

59

8

o454

o460

10.1107/S0108270103013465

0.71073

MoKα

0.0609

0.0437

null

0.0986

0.1071

null

1.046

null

has coordinates,has Fobs

Glidewell, Christopher; Low, John N.; Marchal, Antonio; Quesada, Antonio Benzylation and nitrosation of 4-amino-2-(methylsulfanyl)pyrimidin-6(1H)-one: two P2~1~/c polymorphs of 4-amino-1-benzyl-2-(methylsulfanyl)pyrimidin-6(1H)-one with Z'=1 and 2, 4-amino-6-benzyloxy-2-(methylsulfany...

301,798

2025-08-19

6:42:14

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2,013,467

15.747

0.002

5.1044

0.0007

15.501

0.003

90

null

105.286

0.005

90

null

1,201.9

0.3

120

1

120

1

null

5

P 1 21/c 1

-P 2ybc

14

4-Amino-6-benzyloxy-2-(methylsulfanyl)pyrimidine

- C12 H13 N3 O S -

- C48 H52 N12 O4 S4 -

4

1

GG1172

Glidewell, Christopher; Low, John N.; Marchal, Antonio; Quesada, Antonio

Benzylation and nitrosation of 4-amino-2-(methylsulfanyl)pyrimidin-6(1H)-one: two P2~1~/c polymorphs of 4-amino-1-benzyl-2-(methylsulfanyl)pyrimidin-6(1H)-one with Z'=1 and 2, 4-amino-6-benzyloxy-2-(methylsulfanyl)pyrimidine and 4-amino-1-benzyl-2-(methylsulfanyl)-5-nitrosopyrimidin-6...

Acta Crystallographica Section C

2,003

59

8

o454

o460

10.1107/S0108270103013465

0.71073

MoKα

0.0926

0.0768

null

0.1481

0.1545

null

1.217

null

has coordinates,has Fobs

Glidewell, Christopher; Low, John N.; Marchal, Antonio; Quesada, Antonio Benzylation and nitrosation of 4-amino-2-(methylsulfanyl)pyrimidin-6(1H)-one: two P2~1~/c polymorphs of 4-amino-1-benzyl-2-(methylsulfanyl)pyrimidin-6(1H)-one with Z'=1 and 2, 4-amino-6-benzyloxy-2-(methylsulfany...

301,798

2025-08-19

6:42:14

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2,013,468

5.4199

0.0001

5.5479

0.0001

7.7147

0.0002

90

null

90.092

0.002

90

null

231.972

0.008

293

null

293

null

4

P 1 21/n 1

-P 2yn

14

- Ca2 Mg O6 W -

- Ca4 Mg2 O12 W2 -

2

0.5

Yang, Jae Ho; Choo, Woong Kil; Lee, Chang Hee

Ca~2~MgWO~6~ from neutron and X-ray powder data

Acta Crystallographica, Section C

2,003

59

i86

i88

10.1107/S0108270103011934

null

has coordinates

Yang, Jae Ho; Choo, Woong Kil; Lee, Chang Hee Ca~2~MgWO~6~ from neutron and X-ray powder data Acta Crystallographica, Section C 59 (2003) i86-i88

176,760

2020-10-21

18:00:00

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2,013,469

5.4199

0.0001

5.5479

0.0001

7.7147

0.0002

90

null

90.092

0.002

90

null

231.972

0.008

293

null

293

null

4

P 1 21/n 1

-P 2yn

14

- Ca2 Mg O6 W -

- Ca4 Mg2 O12 W2 -

2

0.5

Yang, Jae Ho; Choo, Woong Kil; Lee, Chang Hee

Ca~2~MgWO~6~ from neutron and X-ray powder data

Acta Crystallographica, Section C

2,003

59

i86

i88

10.1107/S0108270103011934

null

2,013,468

null

has coordinates

Yang, Jae Ho; Choo, Woong Kil; Lee, Chang Hee Ca~2~MgWO~6~ from neutron and X-ray powder data Acta Crystallographica, Section C 59 (2003) i86-i88

176,760

2020-10-21

18:00:00

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2,013,470

13.319

0.003

4.0359

0.0008

10.105

0.002

90

null

91.27

0.03

90

null

543.1

0.2

153

2

153

2

null

4

C 1 2/m 1

-C 2y

12

manganese antimony diselenide iodide

- I Mn Sb Se2 -

- I4 Mn4 Sb4 Se8 -

4

0.5

IZ1033

Tougait, Olivier; Ibers, James A.; Mar, Arthur

Manganese antimony diselenide iodide, MnSbSe~2~I

Acta Crystallographica Section C

2,003

59

8

i77

i78

10.1107/S0108270103014082

0.71073

MoKα

0.0275

0.0264

null

0.07

0.0705

null

1.373

null

has coordinates,has Fobs

Tougait, Olivier; Ibers, James A.; Mar, Arthur Manganese antimony diselenide iodide, MnSbSe~2~I Acta Crystallographica Section C 59(8) (2003) i77-i78

176,760

2020-10-21

18:00:00

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2,013,471

12.002

0.0004

14.563

0.0009

18.526

0.002

90

null

92.882

0.005

90

null

3,234

0.4

122

1

122

1

null

6

C 1 2/c 1

-C 2yc

15

mer-trichloronitridobis(triphenylarsine)ruthenium(VI)

- C36 H30 As2 Cl3 N Ru -

- C144 H120 As8 Cl12 N4 Ru4 -

4

0.5

JZ1564

Magnus Magnussen; Jesper Bendix

The trans influence in mer-trichloronitridobis(triphenylarsine)ruthenium(VI)

Acta Crystallographica Section C

2,003

59

9

m342

m344

10.1107/S0108270103015014

0.71073

MoKα

0.028

0.0216

null

0.049

0.052

null

1.093

null

has coordinates,has Fobs

Magnus Magnussen; Jesper Bendix The trans influence in mer-trichloronitridobis(triphenylarsine)ruthenium(VI) Acta Crystallographica Section C 59(9) (2003) m342-m344

176,760

2020-10-21

18:00:00

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2,013,472

11.138

0.002

13.57

0.003

14.57

0.003

90

null

90

null

90

null

2,202.1

0.8

293

2

293

2

null

4

P b c a

-P 2ac 2ab

61

3,7-dibromo-2-hydroxy-6-isopropyl-2,4,6-cycloheptatrien-1-one

- C10 H10 Br2 O2 -

- C80 H80 Br16 O16 -

8

1

JZ1565

Steyl, Gideon; Roodt, Andreas

3,7-Dibromohinokitiol: a redetermination

Acta Crystallographica Section C

2,003

59

9

o525

o527

10.1107/S0108270103016548

0.71073

MoKα

0.07

0.037

null

0.093

0.106

null

1.01

null

has coordinates,has Fobs

Steyl, Gideon; Roodt, Andreas 3,7-Dibromohinokitiol: a redetermination Acta Crystallographica Section C 59(9) (2003) o525-o527

301,798

2025-08-19

6:42:14

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2,013,473

26.483

0.005

34.102

0.007

10.483

0.002

90

null

90

null

90

null

9,467

3

100

1

100

1

null

4

F d d 2

F 2 -2d

43

1,1,1-tris(4-hydroxyphenyl)methane–bipyridine (1/1)

4,4',4''-methanetriyltriphenol–bipyridine (1/1)

- C29 H24 N2 O3 -

- C464 H384 N32 O48 -

16

1

JZ1567

Srinivasulu Aitipamula; Ashwini Nangia; Ram Thaimattam; Mariusz Jaskólski

Hydrogen-bond networks in tris(4-hydroxyphenyl)methane and its 1:1 molecular complex with 4,4'-bipyridine

Acta Crystallographica Section C

2,003

59

8

o481

o484

10.1107/S0108270103014288

0.71073

MoKα

0.0516

0.0428

null

0.0912

0.0948

null

1.116

null

has coordinates,has Fobs

Srinivasulu Aitipamula; Ashwini Nangia; Ram Thaimattam; Mariusz Jaskólski Hydrogen-bond networks in tris(4-hydroxyphenyl)methane and its 1:1 molecular complex with 4,4'-bipyridine Acta Crystallographica Section C 59(8) (2003) o481-o484

301,798

2025-08-19

6:42:14

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2,013,474

12.326

0.003

18.573

0.004

7.4961

0.0015

90

null

114.36

0.03

90

null

1,563.3

0.7

100

1

100

1

null

3

C 1 c 1

C -2yc

9

tris(4-hydroxyphenyl)methane

4,4',4''-methanetriyltriphenol

- C19 H16 O3 -

- C76 H64 O12 -

4

1

JZ1567

Srinivasulu Aitipamula; Ashwini Nangia; Ram Thaimattam; Mariusz Jaskólski

Hydrogen-bond networks in tris(4-hydroxyphenyl)methane and its 1:1 molecular complex with 4,4'-bipyridine

Acta Crystallographica Section C

2,003

59

8

o481

o484

10.1107/S0108270103014288

0.71073

MoKα

0.0442

0.0387

null

0.097

0.1007

null

1.215

null

has coordinates,has Fobs

Srinivasulu Aitipamula; Ashwini Nangia; Ram Thaimattam; Mariusz Jaskólski Hydrogen-bond networks in tris(4-hydroxyphenyl)methane and its 1:1 molecular complex with 4,4'-bipyridine Acta Crystallographica Section C 59(8) (2003) o481-o484

301,798

2025-08-19

6:42:14

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2,013,475

10.8449

0.001

7.3649

0.0009

11.1537

0.0017

90

null

90.182

0.008

90

null

890.86

0.19

293

2

293

2

null

6

P 1 21 1

P 2yb

4

3-Bromo-1-(2-deoxy-2-fluoro-β-D-arabinofuranosyl)-4H- pyrazolo[3,4-d]pyrimidin-4-one

- C13 H19 Br F N5 O6 -

- C26 H38 Br2 F2 N10 O12 -

2

1

LN1167

He, Junlin; Eickmeier, Henning; Seela, Frank

6-Amino-3-bromo-1-(2-deoxy-2-fluoro-β-D-arabinofuranosyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one–acetone–water (1/1/1): a fluorinated 2'-deoxyguanosine analogue with the sugar conformation of a ribonucleoside

Acta Crystallographica Section C

2,003

59

7

o406

o408

10.1107/S0108270103011430

0.71073

MoKα

0.0458

0.0417

null

0.1166

0.1242

null

1.156

null

has coordinates,has Fobs

He, Junlin; Eickmeier, Henning; Seela, Frank 6-Amino-3-bromo-1-(2-deoxy-2-fluoro-β-D-arabinofuranosyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one–acetone–water (1/1/1): a fluorinated 2'-deoxyguanosine analogue with the sugar conformation of a ribonucleoside Acta Crystallographica Section...

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$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/2/01/34/2013475.cif $ #-------------------------------------------------------------------...

2,013,476

3.8798

0.0003

8.9183

0.0006

12.6224

0.0011

69.426

0.003

83.093

0.004

79.189

0.004

400.93

0.05

120

2

120

2

null

4

P -1

-P 1

2

5,7-dimethoxyimidazo[1,2-c]pyrimidine

- C8 H9 N3 O2 -

- C16 H18 N6 O4 -

2

1

LN1168

Bueno, Jesus; Melguizo, Manuel; Quijano, M. Luisa; Low, John Nicolson

The molecular and supramolecular structures of the isomeric compounds 5,7-dimethoxyimidazo[1,2-c]pyrimidine and 7-methoxy-1-methylimidazo[1,2-a]pyrimidin-5(1H)-one

Acta Crystallographica Section C

2,003

59

7

o363

o366

10.1107/S0108270103010266

0.71073

MoKα

0.0891

0.0525

null

0.1188

0.1336

null

1.031

null

has coordinates,has Fobs

Bueno, Jesus; Melguizo, Manuel; Quijano, M. Luisa; Low, John Nicolson The molecular and supramolecular structures of the isomeric compounds 5,7-dimethoxyimidazo[1,2-c]pyrimidine and 7-methoxy-1-methylimidazo[1,2-a]pyrimidin-5(1H)-one Acta Crystallographica Section C 59(7) (2003) o363-o366

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$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/2/01/34/2013476.cif $ #-------------------------------------------------------------------...

2,013,477

8.5917

0.0006

6.7484

0.0005

14.3054

0.0014

90

null

91.648

0.003

90

null

829.09

0.12

120

2

120

2

null

4

P 1 21/c 1

-P 2ybc

14

7-methoxy-1-methylimidazo[1,2-a]pyrimidin-5(1H)-one

- C8 H9 N3 O2 -

- C32 H36 N12 O8 -

4

1

LN1168

Bueno, Jesus; Melguizo, Manuel; Quijano, M. Luisa; Low, John Nicolson

The molecular and supramolecular structures of the isomeric compounds 5,7-dimethoxyimidazo[1,2-c]pyrimidine and 7-methoxy-1-methylimidazo[1,2-a]pyrimidin-5(1H)-one

Acta Crystallographica Section C

2,003

59

7

o363

o366

10.1107/S0108270103010266

0.71073

MoKα

0.1351

0.0519

null

0.0999

0.1219

null

0.936

null

has coordinates,has Fobs

Bueno, Jesus; Melguizo, Manuel; Quijano, M. Luisa; Low, John Nicolson The molecular and supramolecular structures of the isomeric compounds 5,7-dimethoxyimidazo[1,2-c]pyrimidine and 7-methoxy-1-methylimidazo[1,2-a]pyrimidin-5(1H)-one Acta Crystallographica Section C 59(7) (2003) o363-o366

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$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/2/01/34/2013477.cif $ #-------------------------------------------------------------------...

2,013,478

8.9402

0.0002

17.2777

0.0005

11.3437

0.0004

90

null

90

null

90

null

1,752.22

0.09

100

2

null

5

P c a 21

P 2c -2ac

29

- C18 H15 N O4 S2 -

- C72 H60 N4 O16 S8 -

4

1

LN1169

Muir, Kenneth W.; Morris, David G.; Ryder, Karl S.

1,1-Bis(phenylsulfonyl)-1-(pyridinio)methanide

Acta Crystallographica Section C

2,003

59

7

o376

o377

10.1107/S0108270103010655

0.71073

MoKα

null

0.0556

null

0.1162

null

1.024

null

has coordinates,has Fobs

Muir, Kenneth W.; Morris, David G.; Ryder, Karl S. 1,1-Bis(phenylsulfonyl)-1-(pyridinio)methanide Acta Crystallographica Section C 59(7) (2003) o376-o377

201,957

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-10-13 03:48:21 +0300 (Fri, 13 Oct 2017) $ #$Revision: 201957 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/34/2013478.cif $ #-------------------------------------------------------------------...

2,013,479

10.342

0.004

13.328

0.007

11.956

0.009

90

null

90

null

90

null

1,648

1.6

293

2

293

2

null

3

P 21 21 21

P 2ac 2ab

19

Samaderine-B

- C19 H22 O7 -

- C76 H88 O28 -

4

1

LN1170

Malathi, R; Rajan, S. S.; Suresh, G; Krishnakumari, G.N; Geetha Gopalakrishnan

Samaderin B and C from Samadera indica

Acta Crystallographica Section C

2,003

59

8

o416

o418

10.1107/S0108270103011983

1.54178

CuKα

0.112

0.0741

null

0.1783

0.2075

null

1.056

null

has coordinates,has Fobs

Malathi, R; Rajan, S. S.; Suresh, G; Krishnakumari, G.N; Geetha Gopalakrishnan Samaderin B and C from Samadera indica Acta Crystallographica Section C 59(8) (2003) o416-o418

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$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/2/01/34/2013479.cif $ #-------------------------------------------------------------------...

2,013,480

7.5278

0.0016

12.418

0.003

18.037

0.004

90

null

90

null

90

null

1,686.1

0.7

293

2

293

2

null

3

P 21 21 21

P 2ac 2ab

19

Samaderine-C

- C19 H24 O7 -

- C76 H96 O28 -

4

1

LN1170

Malathi, R; Rajan, S. S.; Suresh, G; Krishnakumari, G.N; Geetha Gopalakrishnan

Samaderin B and C from Samadera indica

Acta Crystallographica Section C

2,003

59

8

o416

o418

10.1107/S0108270103011983

1.54178

CuKα

0.038

0.0326

null

0.0994

0.1033

null

1.031

null

has coordinates,has Fobs

Malathi, R; Rajan, S. S.; Suresh, G; Krishnakumari, G.N; Geetha Gopalakrishnan Samaderin B and C from Samadera indica Acta Crystallographica Section C 59(8) (2003) o416-o418

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$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/2/01/34/2013480.cif $ #-------------------------------------------------------------------...

2,013,481

13.3375

0.0005

8.9992

0.0003

15.5637

0.0004

90

null

90

null

90

null

1,868.06

0.11

293

2

null

5

P n a 21

P 2c -2n

33

(2,6-dioxo-1,4,7,11,14-pentaazacycloheptadecanato)copper(II) tetrahydrate

- C12 H31 Cu N5 O6 -

- C48 H124 Cu4 N20 O24 -

4

1

NA1585

Herman, Gerrit G.; Lippens, Werner; Goeminne, Andre M.; Steenland, Mathieu; Blaton, Norbert M.

Copper(II) complexes of pentadentate 17-membered macrocyclic diamidodiamines with N, O or S as additional donors

Acta Crystallographica Section C

2,003

59

7

m294

m298

10.1107/S0108270102023247

1.54178

CuKα

0.0406

0.0401

null

0.1031

0.1038

null

1.107

null

has coordinates,has Fobs

Herman, Gerrit G.; Lippens, Werner; Goeminne, Andre M.; Steenland, Mathieu; Blaton, Norbert M. Copper(II) complexes of pentadentate 17-membered macrocyclic diamidodiamines with N, O or S as additional donors Acta Crystallographica Section C 59(7) (2003) m294-m298

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$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/2/01/34/2013481.cif $ #-------------------------------------------------------------------...

2,013,482

12.098

0.009

20.337

0.014

8.134

0.005

90

null

103.68

0.05

90

null

1,944

2

293

2

null

5

C 1 c 1

C -2yc

9

(3,16-dioxo-1-oxa-4,8,11,15-tetraazacycloheptadecanato)copper(II) pentahydrate

- C12 H32 Cu N4 O8 -

- C48 H128 Cu4 N16 O32 -

4

1

NA1585

Herman, Gerrit G.; Lippens, Werner; Goeminne, Andre M.; Steenland, Mathieu; Blaton, Norbert M.

Copper(II) complexes of pentadentate 17-membered macrocyclic diamidodiamines with N, O or S as additional donors

Acta Crystallographica Section C

2,003

59

7

m294

m298

10.1107/S0108270102023247

0.71073

MoKα

0.0652

0.0428

null

0.0942

0.1011

null

1.041

null

has coordinates,has Fobs

Herman, Gerrit G.; Lippens, Werner; Goeminne, Andre M.; Steenland, Mathieu; Blaton, Norbert M. Copper(II) complexes of pentadentate 17-membered macrocyclic diamidodiamines with N, O or S as additional donors Acta Crystallographica Section C 59(7) (2003) m294-m298

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$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/2/01/34/2013482.cif $ #-------------------------------------------------------------------...

2,013,483

7.4905

0.0006

16.116

0.0009

7.6404

0.0004

90

null

107.553

0.005

90

null

879.38

0.1

293

2

null

6

P 1 21/m 1

-P 2yb

11

(3,16-dioxo-1-thia-4,8,11,15-tetraazacycloheptadecanato)copper(II) trihydrate

- C12 H28 Cu N4 O5 S -

- C24 H56 Cu2 N8 O10 S2 -

2

0.5

NA1585

Herman, Gerrit G.; Lippens, Werner; Goeminne, Andre M.; Steenland, Mathieu; Blaton, Norbert M.

Copper(II) complexes of pentadentate 17-membered macrocyclic diamidodiamines with N, O or S as additional donors

Acta Crystallographica Section C

2,003

59

7

m294

m298

10.1107/S0108270102023247

1.54178

CuKα

0.0502

0.047

null

0.1297

0.1328

null

1.073

null

has coordinates,has disorder,has Fobs

Herman, Gerrit G.; Lippens, Werner; Goeminne, Andre M.; Steenland, Mathieu; Blaton, Norbert M. Copper(II) complexes of pentadentate 17-membered macrocyclic diamidodiamines with N, O or S as additional donors Acta Crystallographica Section C 59(7) (2003) m294-m298

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/34/2013483.cif $ #-------------------------------------------------------------------...

2,013,484

7.5846

0.0003

22.4477

0.001

7.5989

0.0003

90

null

106.306

0.001

90

null

1,241.72

0.09

293

2

293

2

null

4

P 1 21/c 1

-P 2ybc

14

2-Cyano-3-dimethylamino-N-(4-methylphenyl) acrylamide

- C13 H15 N3 O -

- C52 H60 N12 O4 -

4

1

NA1594

M.Yogavel; P.G.Aravindan; D.Velmurugan; K.Sekar; S.Selvi; P.T.Perumal; S.Shanmuga Sundara Raj; H.-K. Fun

Supramolecular structures of 2-cyano-3-dimethylamino-N-(4-methylphenyl)acrylamide and 2-cyano-3-dimethylamino-N-(2-methoxyphenyl)acrylamide

Acta Crystallographica Section C

2,003

59

7

o394

o396

10.1107/S0108270103009764

0.71073

MoKα

0.0779

0.057

null

0.1523

0.1691

null

1.041

null

has coordinates,has Fobs

M.Yogavel; P.G.Aravindan; D.Velmurugan; K.Sekar; S.Selvi; P.T.Perumal; S.Shanmuga Sundara Raj; H.-K. Fun Supramolecular structures of 2-cyano-3-dimethylamino-N-(4-methylphenyl)acrylamide and 2-cyano-3-dimethylamino-N-(2-methoxyphenyl)acrylamide Acta Crystallographica Section C 59(7) (2003) o394-o396

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$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/2/01/34/2013484.cif $ #-------------------------------------------------------------------...

2,013,485

7.5141

0.0003

12.758

0.0006

13.9381

0.0006

90

null

92.795

0.001

90

null

1,334.58

0.1

293

2

293

2

null

4

P 1 21/c 1

-P 2ybc

14

2-cyano-3-dimethylamino-N-(2-methoxyphenyl) acrylamide

- C13 H15 N3 O2 -

- C52 H60 N12 O8 -

4

1

NA1594

M.Yogavel; P.G.Aravindan; D.Velmurugan; K.Sekar; S.Selvi; P.T.Perumal; S.Shanmuga Sundara Raj; H.-K. Fun

Supramolecular structures of 2-cyano-3-dimethylamino-N-(4-methylphenyl)acrylamide and 2-cyano-3-dimethylamino-N-(2-methoxyphenyl)acrylamide

Acta Crystallographica Section C

2,003

59

7

o394

o396

10.1107/S0108270103009764

0.71073

MoKα

0.0639

0.0479

null

0.1402

0.1516

null

1.053

null

has coordinates,has Fobs

M.Yogavel; P.G.Aravindan; D.Velmurugan; K.Sekar; S.Selvi; P.T.Perumal; S.Shanmuga Sundara Raj; H.-K. Fun Supramolecular structures of 2-cyano-3-dimethylamino-N-(4-methylphenyl)acrylamide and 2-cyano-3-dimethylamino-N-(2-methoxyphenyl)acrylamide Acta Crystallographica Section C 59(7) (2003) o394-o396

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$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/2/01/34/2013485.cif $ #-------------------------------------------------------------------...

2,013,486

7.085

0.003

12.064

0.005

19.583

0.005

90

null

91.54

0.03

90

null

1,673.2

1.1

293

2

293

2

null

3

P 1 21/c 1

-P 2ybc

14

(2R,2''S,3'bS,4'aR,7'bS,8'aR)-perhydrodispiro[furan-2,3'- dicyclopenta[a,e]pentalene-7',2''-furan]-5,5''-dione

- C20 H26 O4 -

- C80 H104 O16 -

4

1

NA1610

Lakshminarasimhan Damodharan; Vasantha Pattabhi; Rallapalli Sivakumar; Sambasivarao Kotha

Precursors to dodecahedrane

Acta Crystallographica Section C

2,003

59

7

o373

o375

10.1107/S0108270103010825

1.5418

CuKα

0.1159

0.0512

null

0.1192

0.143

null

1.022

null

has coordinates,has Fobs

Lakshminarasimhan Damodharan; Vasantha Pattabhi; Rallapalli Sivakumar; Sambasivarao Kotha Precursors to dodecahedrane Acta Crystallographica Section C 59(7) (2003) o373-o375

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$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/2/01/34/2013486.cif $ #-------------------------------------------------------------------...

2,013,487

9.415

0.008

10.739

0.002

15.332

0.003

90

null

92.58

0.04

90

null

1,548.6

1.4

293

2

293

2

null

3

I 1 2/a 1

-I 2ya

15

(3aR,3bR,4aR,4bS,5aS,8aR,8bR,9aR,9bS,10aS)- perhydrodipentaleno[2,1-a:2',1'-e]pentalene-1,6-dione

- C20 H26 O2 -

- C80 H104 O8 -

4

0.5

NA1610

Lakshminarasimhan Damodharan; Vasantha Pattabhi; Rallapalli Sivakumar; Sambasivarao Kotha

Precursors to dodecahedrane

Acta Crystallographica Section C

2,003

59

7

o373

o375

10.1107/S0108270103010825

1.5418

CuKα

0.0524

0.0404

null

0.0979

0.1086

null

1.055

null

has coordinates,has Fobs

Lakshminarasimhan Damodharan; Vasantha Pattabhi; Rallapalli Sivakumar; Sambasivarao Kotha Precursors to dodecahedrane Acta Crystallographica Section C 59(7) (2003) o373-o375

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$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/2/01/34/2013487.cif $ #-------------------------------------------------------------------...

2,013,488

26.3

0.004

9.469

0.002

17.44

0.002

90

null

117.69

0.01

90

null

3,845.8

1.1

298

2

298

2

null

3

C 1 2/c 1

-C 2yc

15

(4-Dimethylamino-benzylidene)-(3,5-bis(2-Pyridyl)-1,2,4-triazol-4-yl)amine

- C21 H19 N7 -

- C168 H152 N56 -

8

1

NA1615

Bruno, Giuseppe; Nicoló, Francesco; Puntoriero, Fausto; Giuffrida, Gaetano; Ricevuto, Vittorio; Rosace, Giuseppe

4-[4-(Dimethylamino)benzylideneamino]-3,5-bis(2-pyridyl)-4H-1,2,4-triazole

Acta Crystallographica Section C

2,003

59

7

o390

o391

10.1107/S0108270103011697

0.71073

MoKα

0.0612

0.0323

null

0.0713

0.0761

null

0.793

null

has coordinates,has disorder,has Fobs

Bruno, Giuseppe; Nicoló, Francesco; Puntoriero, Fausto; Giuffrida, Gaetano; Ricevuto, Vittorio; Rosace, Giuseppe 4-[4-(Dimethylamino)benzylideneamino]-3,5-bis(2-pyridyl)-4H-1,2,4-triazole Acta Crystallographica Section C 59(7) (2003) o390-o391

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$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/2/01/34/2013488.cif $ #-------------------------------------------------------------------...

2,013,489

9.3815

0.0008

9.4096

0.0008

15.1968

0.0013

72.124

0.002

83.169

0.002

67.423

0.002

1,178.91

0.18

293

2

293

2

null

6

P -1

-P 1

2

- C22 H22 N6 Ni O5 S2 -

- C44 H44 N12 Ni2 O10 S4 -

2

1

OB1117

Eleonora Freire; Sergio Baggio; Muñoz, Juan Carlos; Ricardo Baggio

[2,6-Bis(1H-benzimidazol-2-yl-κN^3^)pyridine-κN](dimethylformamide-κO)(thiosulfato-κ^2^O,S)nickel(II) monohydrate

Acta Crystallographica Section C

2,003

59

8

m299

m301

10.1107/S0108270103008667

0.71073

MoKα

0.0549

0.0389

null

0.0822

0.109

null

0.87

null

has coordinates,has Fobs

Eleonora Freire; Sergio Baggio; Muñoz, Juan Carlos; Ricardo Baggio [2,6-Bis(1H-benzimidazol-2-yl-κN^3^)pyridine-κN](dimethylformamide-κO)(thiosulfato-κ^2^O,S)nickel(II) monohydrate Acta Crystallographica Section C 59(8) (2003) m299-m301

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/34/2013489.cif $ #-------------------------------------------------------------------...

2,013,490

15.355

0.004

8.321

0.002

8.264

0.002

90

null

92.12

0.01

90

null

1,055.2

0.5

293

2

293

2

null

3

C 1 2/c 1

-C 2yc

15

4-[N,N-bis(2-cyanoethyl)amino]pyridine

3,3'-(4-pyridylimino)dipropanenitrile

- C11 H12 N4 -

- C44 H48 N16 -

4

0.5

OB1120

Ni Jun; Li, Yi-Zhi; Qi, Wen-Bin; Liu, Yong-Jiang; Chen, Hui-Lan; Wang, Zhi-Lin

4-[N,N-Bis(2-cyanoethyl)amino]pyridine

Acta Crystallographica Section C

2,003

59

8

o470

o472

10.1107/S0108270103012630

0.71073

MoKα

0.0473

0.044

null

0.0925

0.0937

null

1.038

null

has coordinates,has Fobs

Ni Jun; Li, Yi-Zhi; Qi, Wen-Bin; Liu, Yong-Jiang; Chen, Hui-Lan; Wang, Zhi-Lin 4-[N,N-Bis(2-cyanoethyl)amino]pyridine Acta Crystallographica Section C 59(8) (2003) o470-o472

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$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/2/01/34/2013490.cif $ #-------------------------------------------------------------------...

2,013,491

5.9425

0.0018

12.436

0.002

14.999

0.002

90

null

90

null

90

null

1,108.4

0.4

298

2

298

2

null

3

P b c m

-P 2c 2b

57

cis,cis,cis-1,2,4,5-cyclohexanetetracarboxylic acid

- C10 H12 O8 -

- C40 H48 O32 -

4

0.5

OB1124

Akira Uchida; Masatoshi Hasegawa; Hiroshi Manami

cis,cis,cis-1,2,4,5-Cyclohexanetetracarboxylic acid and its dianhydride

Acta Crystallographica Section C

2,003

59

8

o435

o438

10.1107/S0108270103013362

1.54178

CuKα

0.047

0.0407

null

0.1087

0.113

null

1.107

null

has coordinates,has Fobs

Akira Uchida; Masatoshi Hasegawa; Hiroshi Manami cis,cis,cis-1,2,4,5-Cyclohexanetetracarboxylic acid and its dianhydride Acta Crystallographica Section C 59(8) (2003) o435-o438

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$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/2/01/34/2013491.cif $ #-------------------------------------------------------------------...

2,013,492

13.591

0.002

9.306

0.002

7.711

0.003

90

null

90

null

90

null

975.3

0.5

298

2

298

2

null

3

P n a 21

P 2c -2n

33

cis,cis,cis-1,2,4,5-cyclohexanetetracarboxylic dianhydride

- C10 H8 O6 -

- C40 H32 O24 -

4

1

OB1124

Akira Uchida; Masatoshi Hasegawa; Hiroshi Manami

cis,cis,cis-1,2,4,5-Cyclohexanetetracarboxylic acid and its dianhydride

Acta Crystallographica Section C

2,003

59

8

o435

o438

10.1107/S0108270103013362

1.54178

CuKα

0.0433

0.0385

null

0.1052

0.1095

null

1.068

null

has coordinates,has Fobs

Akira Uchida; Masatoshi Hasegawa; Hiroshi Manami cis,cis,cis-1,2,4,5-Cyclohexanetetracarboxylic acid and its dianhydride Acta Crystallographica Section C 59(8) (2003) o435-o438

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$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/2/01/34/2013492.cif $ #-------------------------------------------------------------------...

2,013,493

25.248

0.002

7.1136

0.0007

13.1993

0.0009

90

null

90

null

90

null

2,370.6

0.3

293

1

293

null

5

P c c n

-P 2ab 2ac

56

- C12 H20 Fe N6 O22 -

- C48 H80 Fe4 N24 O88 -

4

0.5

OB1127

Kazumasa Honda; Hiroshi Yamawaki; Makoto Matsukawa; Midori Goto; Takehiro Matsunaga; Katsutoshi Aoki; Masatake Yoshida; Shuzo Fujiwara

Hexaaquairon(II) dipicrate dihydrate

Acta Crystallographica Section C

2,003

59

8

m319

m321

10.1107/S0108270103013301

0.7107

MoKα

null

0.0332

null

0.0746

null

1.272

null

has coordinates,has Fobs

Kazumasa Honda; Hiroshi Yamawaki; Makoto Matsukawa; Midori Goto; Takehiro Matsunaga; Katsutoshi Aoki; Masatake Yoshida; Shuzo Fujiwara Hexaaquairon(II) dipicrate dihydrate Acta Crystallographica Section C 59(8) (2003) m319-m321

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$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/2/01/34/2013493.cif $ #-------------------------------------------------------------------...

2,013,494

11.733

0.002

12.212

0.003

11.501

0.003

103.79

0.02

96.89

0.02

70.82

0.01

1,510

0.6

296.2

null

296.2

null

6

P -1

-P 1

2

Tetraphenylphosphonium 2,2,6,6-Tetramethylpiperidinyloxy-4-hydroxy-4-sulfonate

- C33 H37 N O5 P S -

- C66 H74 N2 O10 P2 S2 -

2

1

OB1128

Akutsu, Hiroki; Yamada, Jun-ichi; Nakatsuji, Shin'ichi

Tetraphenylphosphonium 4-hydroxy-2,2,6,6-tetramethylpiperidinyloxy-4-sulfonate

Acta Crystallographica Section C

2,003

59

8

o433

o434

10.1107/S0108270103012824

0.7107

MoKα

0.099

0.0583

null

0.056

null

0.0512

null

1.1898

null

has coordinates,has Fobs

Akutsu, Hiroki; Yamada, Jun-ichi; Nakatsuji, Shin'ichi Tetraphenylphosphonium 4-hydroxy-2,2,6,6-tetramethylpiperidinyloxy-4-sulfonate Acta Crystallographica Section C 59(8) (2003) o433-o434

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/2/01/34/2013494.cif $ #-------------------------------------------------------------------...

2,013,495

13.283

0.002

14.153

0.002

13.452

0.002

90

null

105.252

0.002

90

null

2,439.8

0.6

90

1

90

1

null

5

P 1 21 1

P 2yb

4

ChaASC

Ascidiacyclamide analogue (Ile1 was replaced with Cha) cyclo(-Cha-Oxz-D-Val-Thz-Ile-Oxz-D-Val-Thz-) Cha=cyclohexylalanine from dimethylacetamide solution

- C43 H69 N9 O9 S2 -

- C86 H138 N18 O18 S4 -

2

1

OB1130

Akiko Asano; Takeshi Yamada; Atsushi Numata; Mitsunobu Doi

cyclo(-Cha‒Oxz‒D-Val‒Thz‒Ile‒Oxz‒D-Val‒Thz-) N,N-dimethylacetamide dihydrate: a square form of cyclohexylalanine-incorporated ascidiacyclamide having the strongest cytotoxicity

Acta Crystallographica Section C

2,003

59

9

o488

o490

10.1107/S0108270103014495

0.71073

MoKα

0.0568

0.0506

null

0.1316

0.1371

null

1.044

null

has coordinates,has Fobs

Akiko Asano; Takeshi Yamada; Atsushi Numata; Mitsunobu Doi cyclo(-Cha‒Oxz‒D-Val‒Thz‒Ile‒Oxz‒D-Val‒Thz-) N,N-dimethylacetamide dihydrate: a square form of cyclohexylalanine-incorporated ascidiacyclamide having the strongest cytotoxicity Acta Crystallographica Section C 59(9) (2003) o...

201,957

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-10-13 03:48:21 +0300 (Fri, 13 Oct 2017) $ #$Revision: 201957 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/34/2013495.cif $ #-------------------------------------------------------------------...

2,013,496

10.98

0.002

16.575

0.003

11.64

0.002

90

null

95.51

0.01

90

null

2,108.6

0.7

168

2

168

2

null

5

P 1 21 1

P 2yb

4

- C34 H51 Cd N11 O18 -

- C68 H102 Cd2 N22 O36 -

2

1

OB1131

Smith, Christopher B.; Lincoln, Stephen F.; Taylor, Max R.; Wainwright, Kevin P.

Λ-{1,4,7,10-Tetrakis[(S)-2-hydroxypropyl-κO]-1,4,7,10-tetraazacyclododecane-κ^4^N}cadmium(II) bis(2,4,6-trinitrophenolate) acetonitrile solvate

Acta Crystallographica Section C

2,003

59

9

m358

m360

10.1107/S0108270103016007

0.71073

MoKα

0.024

0.023

null

0.057

null

0.057

null

1.234

null

1.236

null

has coordinates,has Fobs

Smith, Christopher B.; Lincoln, Stephen F.; Taylor, Max R.; Wainwright, Kevin P. Λ-{1,4,7,10-Tetrakis[(S)-2-hydroxypropyl-κO]-1,4,7,10-tetraazacyclododecane-κ^4^N}cadmium(II) bis(2,4,6-trinitrophenolate) acetonitrile solvate Acta Crystallographica Section C 59(9) (2003) m358-m360

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/2/01/34/2013496.cif $ #-------------------------------------------------------------------...

2,013,497

21.6815

0.0003

8.6127

0.0001

19.7231

0.0002

90

null

101.626

0.0005

90

null

3,607.46

0.08

293

2

293

2

null

5

P 1 21/c 1

-P 2ybc

14

N-(o-chlorophenyl)-2,5-dimethylpyrrole-3-carbaldehyde

N-(2-chlorphenyl)-2,5-dimethylpyrrole-3-carbaldehyde

- C13 H12 Cl N O -

- C156 H144 Cl12 N12 O12 -

12

3

SK1632

Jukić, Marijana; Cetina, Mario; Vorkapić-Furač, Jasna; Golobič, Amalija; Nagl, Ante

N-(o-Chlorophenyl)-2,5-dimethylpyrrole-3-carbaldehyde

Acta Crystallographica Section C

2,003

59

7

o357

o359

10.1107/S0108270103009272

0.71073

MoKα

0.0873

0.0555

null

0.1391

0.1586

null

1.016

null

has coordinates,has Fobs

Jukić, Marijana; Cetina, Mario; Vorkapić-Furač, Jasna; Golobič, Amalija; Nagl, Ante N-(o-Chlorophenyl)-2,5-dimethylpyrrole-3-carbaldehyde Acta Crystallographica Section C 59(7) (2003) o357-o359

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$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/2/01/34/2013497.cif $ #-------------------------------------------------------------------...

2,013,498

6.1283

0.0003

17.2964

0.0007

22.4659

0.0006

90

null

90

null

90

null

2,381.33

0.16

293

null

293

null

3

P 21 21 21

P 2ac 2ab

19

(1S,3R,7S,8S,8aR)-3,7-dimethyl-8-{2-[(2R,4R)-4-hydroxy-6-oxo-3,4,5,6- tetrahydro-2H-pyran-2-yl]ethyl}-1,2,3,7,8,8a-hexahydronaphthalin-1-yl 2,2-dimethylbutanoate

- C25 H38 O5 -

- C100 H152 O20 -

4

1

SK1633

Čejka, Jan; Kratochvíl, Bohumil; Císařová, Ivana; Jegorov, Alexandr

Simvastatin

Acta Crystallographica Section C

2,003

59

8

o428

o430

10.1107/S0108270103012514

0.71073

MoKα

0.0804

0.0715

null

0.09

0.0844

null

1.1183

null

has coordinates,has Fobs

Čejka, Jan; Kratochvíl, Bohumil; Císařová, Ivana; Jegorov, Alexandr Simvastatin Acta Crystallographica Section C 59(8) (2003) o428-o430

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/34/2013498.cif $ #-------------------------------------------------------------------...

2,013,499

11.392

0.002

13.97

0.0018

9.2771

0.0013

97.705

0.011

109.95

0.012

109.492

0.011

1,256

0.4

298

null

3

P -1

-P 1

2

- C34 H28 O2 -

- C68 H56 O4 -

2

1

SK1639

Ohba, Shigeru; Yamamoto, Yohei; Tanaka, Koichi

rac- and meso-3,3'-Bis(3,5-dimethylphenyl)-3H,3'H-2,2'-biindenylidene-1,1'(2H,2'H)-dione

Acta Crystallographica Section C

2,003

59

7

o370

o372

10.1107/S0108270103010308

0.7107

MoKα

null

0.0495

null

0.1542

null

1.03

null

has coordinates

Ohba, Shigeru; Yamamoto, Yohei; Tanaka, Koichi rac- and meso-3,3'-Bis(3,5-dimethylphenyl)-3H,3'H-2,2'-biindenylidene-1,1'(2H,2'H)-dione Acta Crystallographica Section C 59(7) (2003) o370-o372

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$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/2/01/34/2013499.cif $ #-------------------------------------------------------------------...

2,013,500

19.23

0.002

8.0506

0.001

8.4461

0.0011

90

null

98.802

0.01

90

null

1,292.2

0.3

298

null

3

P 1 21/a 1

-P 2yab

14

- C34 H28 O2 -

- C68 H56 O4 -

2

0.5

SK1639

Ohba, Shigeru; Yamamoto, Yohei; Tanaka, Koichi

rac- and meso-3,3'-Bis(3,5-dimethylphenyl)-3H,3'H-2,2'-biindenylidene-1,1'(2H,2'H)-dione

Acta Crystallographica Section C

2,003

59

7

o370

o372

10.1107/S0108270103010308

0.7107

MoKα

null

0.0543

null

0.1945

null

1.21

null

has coordinates,has Fobs

Ohba, Shigeru; Yamamoto, Yohei; Tanaka, Koichi rac- and meso-3,3'-Bis(3,5-dimethylphenyl)-3H,3'H-2,2'-biindenylidene-1,1'(2H,2'H)-dione Acta Crystallographica Section C 59(7) (2003) o370-o372

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$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/2/01/35/2013500.cif $ #-------------------------------------------------------------------...

2,013,501

7.5558

0.0002

13.4054

0.0001

20.0304

0.0003

90

null

90

null

90

null

2,028.85

0.06

120

2

120

2

null

4

P 21 21 21

P 2ac 2ab

19

6,6'-Dimethoxy-2,2'-[(1R,2R)-cyclohexane-1,2- diylbis(nitrilomethylidyne)]diphenol

- C22 H26 N2 O4 -

- C88 H104 N8 O16 -

4

1

SK1640

Mohamed, E. Mothi; Muralidharan, Samraj; Panchanatheswaran, Krishnaswamy; Ramesh, Rengan; Low, John N.; Glidewell, Christopher

6,6'-Dimethoxy-2,2'-[(1R,2R)-cyclohexane-1,2-diylbis(nitrilomethylidyne)]diphenol: three C—H···O hydrogen bonds generate a three-dimensional framework

Acta Crystallographica Section C

2,003

59

7

o367

o369

10.1107/S0108270103010205

0.71073

MoKα

0.0387

0.0352

null

0.082

0.0841

null

1.076

null

has coordinates,has Fobs

Mohamed, E. Mothi; Muralidharan, Samraj; Panchanatheswaran, Krishnaswamy; Ramesh, Rengan; Low, John N.; Glidewell, Christopher 6,6'-Dimethoxy-2,2'-[(1R,2R)-cyclohexane-1,2-diylbis(nitrilomethylidyne)]diphenol: three C—H···O hydrogen bonds generate a three-dimensional framework Acta Crystallographica Secti...

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$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/2/01/35/2013501.cif $ #-------------------------------------------------------------------...

2,013,502

9.9496

0.0008

36.295

0.003

7.0643

0.0006

90

null

90

null

90

null

2,551.1

0.4

150

1

150

1

null

5

F m m 2

F 2 -2

42

Hexamethylenetetramine‒ferrocenecarboxylic acid (1/2)

- C28 H32 Fe2 N4 O4 -

- C112 H128 Fe8 N16 O16 -

4

0.25

SK1641

Zakaria, Choudhury M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher

Adducts of hexamethylenetetramine with ferrocenecarboxylic acid and ferrocene-1,1'-dicarboxylic acid: multiple disorder in space groups Fmm2 and Cmcm

Acta Crystallographica Section C

2,003

59

7

m271

m274

10.1107/S010827010301031X

0.71073

MoKα

0.054

0.0442

null

0.0948

0.0994

null

1.063

null

has coordinates,has disorder,has Fobs

Zakaria, Choudhury M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher Adducts of hexamethylenetetramine with ferrocenecarboxylic acid and ferrocene-1,1'-dicarboxylic acid: multiple disorder in space groups Fmm2 and Cmcm Acta Crystallographica Section C 59(7) (2003) m271-m274

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/35/2013502.cif $ #-------------------------------------------------------------------...

2,013,503

10.0096

0.0004

7.1396

0.0002

24.2841

0.0008

90

null

90

null

90

null

1,735.45

0.1

150

1

150

1

null

5

C m c m

-C 2c 2

63

Hexamethylenetetramine‒ferrocene-1,1'-dicarboxylic acid (1/1)

- C18 H22 Fe N4 O4 -

- C72 H88 Fe4 N16 O16 -

4

0.25

SK1641

Zakaria, Choudhury M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher

Adducts of hexamethylenetetramine with ferrocenecarboxylic acid and ferrocene-1,1'-dicarboxylic acid: multiple disorder in space groups Fmm2 and Cmcm

Acta Crystallographica Section C

2,003

59

7

m271

m274

10.1107/S010827010301031X

0.71073

MoKα

0.0454

0.0316

null

0.0663

0.0729

null

1.128

null

has coordinates,has disorder,has Fobs

Zakaria, Choudhury M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher Adducts of hexamethylenetetramine with ferrocenecarboxylic acid and ferrocene-1,1'-dicarboxylic acid: multiple disorder in space groups Fmm2 and Cmcm Acta Crystallographica Section C 59(7) (2003) m271-m274

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/35/2013503.cif $ #-------------------------------------------------------------------...

2,013,504

6.9572

0.0005

8.1499

0.0007

10.4564

0.001

99.8

0.002

101.05

0.002

99.54

0.002

561.21

0.08

293

2

293

2

null

5

P -1

-P 1

2

2-amino-5-(2,5-dimethoxyphenyl)-1,3-thiazol-4(5H)-one

- C11 H12 N2 O3 S -

- C22 H24 N4 O6 S2 -

2

1

SK1642

Toplak, Renata; Lah, Nina; Volmajer, Julija; Leban, Ivan; Majcen Le Marechal, Alenka

2-Aminothiazole and 2-aminothiazolinone derivatives

Acta Crystallographica Section C

2,003

59

9

o502

o505

10.1107/S0108270103015580

0.71073

MoKα

0.0316

0.0293

null

0.0752

0.0777

null

1.045

null

has coordinates,has Fobs

Toplak, Renata; Lah, Nina; Volmajer, Julija; Leban, Ivan; Majcen Le Marechal, Alenka 2-Aminothiazole and 2-aminothiazolinone derivatives Acta Crystallographica Section C 59(9) (2003) o502-o505

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$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/2/01/35/2013504.cif $ #-------------------------------------------------------------------...

2,013,505

8.174

0.0005

22.8266

0.0012

9.03

0.0005

90

null

116.444

0.001

90

null

1,508.57

0.15

293

2

293

2

null

5

P 1 21 1

P 2yb

4

ethyl 2-amino-5-(2,5-dimethoxyphenyl)-1,3-thiazole-4-carboxylate

- C14 H16 N2 O4 S -

- C56 H64 N8 O16 S4 -

4

2

SK1642

Toplak, Renata; Lah, Nina; Volmajer, Julija; Leban, Ivan; Majcen Le Marechal, Alenka

2-Aminothiazole and 2-aminothiazolinone derivatives

Acta Crystallographica Section C

2,003

59

9

o502

o505

10.1107/S0108270103015580

0.71073

MoKα

0.0646

0.0527

null

0.129

0.1389

null

1.036

null

has coordinates,has Fobs

Toplak, Renata; Lah, Nina; Volmajer, Julija; Leban, Ivan; Majcen Le Marechal, Alenka 2-Aminothiazole and 2-aminothiazolinone derivatives Acta Crystallographica Section C 59(9) (2003) o502-o505

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$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/2/01/35/2013505.cif $ #-------------------------------------------------------------------...

2,013,506

13.0678

0.0003

8.7475

0.0002

17.6106

0.0005

90

null

90.513

0.0011

90

null

2,013

0.09

150

1

150

1

null

5

P 1 21/n 1

-P 2yn

14

1,4,8,11-Tetraazoniacyclotetradecane tetrakis-phenylphosphonate dihydrate

- C34 H56 N4 O14 P4 -

- C68 H112 N8 O28 P8 -

2

0.5

SK1643

Bowes, Katharine F.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher

1,4,8,11-Tetraazoniacyclotetradecane tetrakis(phenylphosphonate) dihydrate forms hydrogen-bonded sheets

Acta Crystallographica Section C

2,003

59

8

o461

o463

10.1107/S010827010301182X

0.71073

MoKα

0.0415

0.0328

null

0.0802

0.0852

null

1.043

null

has coordinates,has Fobs

Bowes, Katharine F.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher 1,4,8,11-Tetraazoniacyclotetradecane tetrakis(phenylphosphonate) dihydrate forms hydrogen-bonded sheets Acta Crystallographica Section C 59(8) (2003) o461-o463

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$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/2/01/35/2013506.cif $ #-------------------------------------------------------------------...

2,013,507

27.366

0.002

32.347

0.002

4.8818

0.0003

90

null

90

null

90

null

4,321.4

0.5

150

1

150

1

null

5

F d d 2

F 2 -2d

43

4,4'-Trimethylenedipyridinium bis[carboxymethylphosphonate(1-)]

- C17 H24 N2 O10 P2 -

- C136 H192 N16 O80 P16 -

8

0.5

SK1644

Bowes, Katharine F.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher

4,4'-Trimethylenedipyridinium bis[carboxymethylphosphonate(1‒)]: a three-dimensional framework structure built from O—H···O, N—H···O and C—H···O hydrogen bonds

Acta Crystallographica Section C

2,003

59

8

o464

o466

10.1107/S0108270103011818

0.71073

MoKα

0.0715

0.0441

null

0.0905

0.1027

null

1.049

null

has coordinates,has Fobs

Bowes, Katharine F.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher 4,4'-Trimethylenedipyridinium bis[carboxymethylphosphonate(1‒)]: a three-dimensional framework structure built from O—H···O, N—H···O and C—H···O hydrogen bonds Acta Crystallographica Section C 59(8) (2003) o464-o466

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/35/2013507.cif $ #-------------------------------------------------------------------...

2,013,508

8.501

0.004

8.369

0.004

15.403

0.006

90

null

92.463

0.006

90

null

1,094.8

0.8

193.15

null

193.15

null

4

P 1 21/n 1

-P 2yn

14

catena-poly[[bis(dicyanamido)zinc(II)]-di-μ-bis(1,2,4-triazol-1-yl)ethane- κ~4~N4:N4']

- C16 H16 N18 Zn -

- C32 H32 N36 Zn2 -

2

0.5

SK1645

Baolong Li; Baozong Li; Xia Zhu; Liming Zhu; Yong Zhang

The infinite double-stranded chain polymer catena-poly[[bis(dicyanamido)zinc(II)]-di-μ-1,2-bis(1,2,4-triazol-1-yl)ethane-κ^4^N^4^:N^4'^]

Acta Crystallographica Section C

2,003

59

9

m350

m351

10.1107/S0108270103012435

0.7107

MoKα

0.0302

0.0275

null

0.0614

0.0627

null

1.038

null

has coordinates,has Fobs

Baolong Li; Baozong Li; Xia Zhu; Liming Zhu; Yong Zhang The infinite double-stranded chain polymer catena-poly[[bis(dicyanamido)zinc(II)]-di-μ-1,2-bis(1,2,4-triazol-1-yl)ethane-κ^4^N^4^:N^4'^] Acta Crystallographica Section C 59(9) (2003) m350-m351

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/35/2013508.cif $ #-------------------------------------------------------------------...

2,013,509

9.8769

0.0001

24.8789

0.0003

5.7335

0.0001

90

null

90

null

90

null

1,408.87

0.03

160

2

160

2

null

4

P n a 21

P 2c -2n

33

N-(2-naphthyloxymethylcarbonyl)piperidine

- C17 H19 N O2 -

- C68 H76 N4 O8 -

4

1

SK1646

Thamotharan, S.; Parthasarathi, V.; Malik, R.; Jindal, D. P.; Piplani, P.; Linden, Anthony

2-(2-Naphthyloxy)acetate derivatives. I. A new class of antiamnesic agents

Acta Crystallographica Section C

2,003

59

8

o422

o425

10.1107/S0108270103012332

0.71073

MoKα

0.0474

0.0352

null

0.0838

0.0898

null

1.079

null

has coordinates,has Fobs

Thamotharan, S.; Parthasarathi, V.; Malik, R.; Jindal, D. P.; Piplani, P.; Linden, Anthony 2-(2-Naphthyloxy)acetate derivatives. I. A new class of antiamnesic agents Acta Crystallographica Section C 59(8) (2003) o422-o425

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$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/2/01/35/2013509.cif $ #-------------------------------------------------------------------...

2,013,510

20.9438

0.0004

20.9438

0.0004

13.9169

0.0002

90

null

90

null

90

null

6,104.55

0.19

160

2

160

2

null

4

I 41 c d

I 4bw -2c

110

3-Methyl-N-(2-naphthyloxymethylcarbonyl)piperidine

- C18 H21 N O2 -

- C288 H336 N16 O32 -

16

1

SK1646

Thamotharan, S.; Parthasarathi, V.; Malik, R.; Jindal, D. P.; Piplani, P.; Linden, Anthony

2-(2-Naphthyloxy)acetate derivatives. I. A new class of antiamnesic agents

Acta Crystallographica Section C

2,003

59

8

o422

o425

10.1107/S0108270103012332

0.71073

MoKα

0.0361

0.031

null

0.0809

0.0845

null

1.061

null

has coordinates,has disorder,has Fobs

Thamotharan, S.; Parthasarathi, V.; Malik, R.; Jindal, D. P.; Piplani, P.; Linden, Anthony 2-(2-Naphthyloxy)acetate derivatives. I. A new class of antiamnesic agents Acta Crystallographica Section C 59(8) (2003) o422-o425

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$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/2/01/35/2013510.cif $ #-------------------------------------------------------------------...

2,013,511

10.5594

0.0002

9.2956

0.0002

14.1012

0.0003

90

null

109.092

0.0009

90

null

1,307.99

0.05

160

2

160

2

null

4

P 1 21/n 1

-P 2yn

14

4-(2-Naphthyloxymethylcarbonyl)morpholine

- C16 H17 N O3 -

- C64 H68 N4 O12 -

4

1

SK1649

Thamotharan, S.; Parthasarathi, V.; Gupta, P.; Jindal, D.P.; Piplani, P.; Linden, Anthony

2-(2-Naphthyloxy)acetate derivatives. II. A new class of antiamnesic agents

Acta Crystallographica Section C

2,003

59

8

o467

o469

10.1107/S0108270103013258

0.71073

MoKα

0.0833

0.0509

null

0.1289

0.1475

null

1.026

null

has coordinates,has Fobs

Thamotharan, S.; Parthasarathi, V.; Gupta, P.; Jindal, D.P.; Piplani, P.; Linden, Anthony 2-(2-Naphthyloxy)acetate derivatives. II. A new class of antiamnesic agents Acta Crystallographica Section C 59(8) (2003) o467-o469

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$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/2/01/35/2013511.cif $ #-------------------------------------------------------------------...

2,013,512

13.756

0.0003

12.7389

0.0002

8.5031

0.0002

90

null

90

null

90

null

1,490.05

0.05

160

2

160

2

null

4

P c a 21

P 2c -2ac

29

1-(2-Naphthyloxymethylcarbonyl)-4-methylpiperazine

- C17 H20 N2 O2 -

- C68 H80 N8 O8 -

4

1

SK1649

Thamotharan, S.; Parthasarathi, V.; Gupta, P.; Jindal, D.P.; Piplani, P.; Linden, Anthony

2-(2-Naphthyloxy)acetate derivatives. II. A new class of antiamnesic agents

Acta Crystallographica Section C

2,003

59

8

o467

o469

10.1107/S0108270103013258

0.71073

MoKα

0.0532

0.0393

null

0.0885

0.0951

null

1.062

null

has coordinates,has Fobs

Thamotharan, S.; Parthasarathi, V.; Gupta, P.; Jindal, D.P.; Piplani, P.; Linden, Anthony 2-(2-Naphthyloxy)acetate derivatives. II. A new class of antiamnesic agents Acta Crystallographica Section C 59(8) (2003) o467-o469

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$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/2/01/35/2013512.cif $ #-------------------------------------------------------------------...

2,013,513

7.7235

0.0005

19.0625

0.0009

13.8907

0.0013

90

null

90

null

90

null

2,045.1

0.3

293

2

293

2

null

3

P 21 21 21

P 2ac 2ab

19

Teuctosin

- C22 H28 O8 -

- C88 H112 O32 -

4

1

SK1651

S.Soundarya Devi; R.Malathi; S.S.Rajan; S.Arvind; G.N.Krishnakumari; K.Ravikumar

A new clerodane diterpene with antifeedant activity from Teucrium tomentosum

Acta Crystallographica Section C

2,003

59

9

o530

o532

10.1107/S0108270103017050

0.71073

MoKα

0.0451

0.0407

null

0.1107

0.1152

null

1.037

null

has coordinates,has Fobs

S.Soundarya Devi; R.Malathi; S.S.Rajan; S.Arvind; G.N.Krishnakumari; K.Ravikumar A new clerodane diterpene with antifeedant activity from Teucrium tomentosum Acta Crystallographica Section C 59(9) (2003) o530-o532

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$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/2/01/35/2013513.cif $ #-------------------------------------------------------------------...

2,013,514

14.7434

0.0005

8.1274

0.0002

13.2487

0.0004

90

null

106.712

0.0012

90

null

1,520.48

0.08

120

2

120

2

null

5

P 1 21/c 1

-P 2ybc

14

4-Iodoanilinium 3-nitrophthalate(1-)

- C14 H11 I N2 O6 -

- C56 H44 I4 N8 O24 -

4

1

SK1653

Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.

4-Iodoanilinium 3-nitrophthalate(1–): tripartite sheets built from O—H···O and N—H···O hydrogen bonds

Acta Crystallographica Section C

2,003

59

9

o509

o511

10.1107/S0108270103014434

0.71073

MoKα

0.0405

0.0294

null

0.0633

0.0677

null

1.034

null

has coordinates,has Fobs

Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L. 4-Iodoanilinium 3-nitrophthalate(1–): tripartite sheets built from O—H···O and N—H···O hydrogen bonds Acta Crystallographica Section C 59(9) (2003) o509-o511

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$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/2/01/35/2013514.cif $ #-------------------------------------------------------------------...

2,013,515

8.0029

0.001

5.4952

0.0005

10.928

0.0015

90

null

96.84

0.005

90

null

477.17

0.1

293

2

200

2

null

4

P 1 21 1

P 2yb

4

4-aminopyridinium hydrogen maleate

- C9 H10 N2 O4 -

- C18 H20 N4 O8 -

2

1

SK1655

Lah, Nina; Leban, Ivan

4-Aminopyridinium hydrogen maleate

Acta Crystallographica Section C

2,003

59

9

o537

o538

10.1107/S010827010301727X

0.71073

MoKα

0.029

0.026

null

0.056

0.058

null

1.067

null

has coordinates,has Fobs

Lah, Nina; Leban, Ivan 4-Aminopyridinium hydrogen maleate Acta Crystallographica Section C 59(9) (2003) o537-o538

201,957

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-10-13 03:48:21 +0300 (Fri, 13 Oct 2017) $ #$Revision: 201957 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/35/2013515.cif $ #-------------------------------------------------------------------...

2,013,516

5.2813

0.0001

8.7367

0.0002

12.9843

0.0003

80.4656

0.0014

81.4302

0.0012

83.883

0.001

582.17

0.02

160

2

160

2

null

4

P -1

-P 1

2

1-[2-(4-Nitrophenoxy)acetyl]pyrrolidin-2-one

- C12 H12 N2 O5 -

- C24 H24 N4 O10 -

2

1

SK1656

Thamotharan, S.; Parthasarathi, V.; Malik, R.; Jindal, D.P.; Piplani, P.; Linden, Anthony

1-[2-(4-Nitrophenoxy)acetyl]pyrrolidin-2-one: an antiamnesic agent

Acta Crystallographica Section C

2,003

59

9

o514

o515

10.1107/S0108270103014823

0.71073

MoKα

0.0558

0.0427

null

0.116

0.1262

null

1.056

null

has coordinates,has Fobs

Thamotharan, S.; Parthasarathi, V.; Malik, R.; Jindal, D.P.; Piplani, P.; Linden, Anthony 1-[2-(4-Nitrophenoxy)acetyl]pyrrolidin-2-one: an antiamnesic agent Acta Crystallographica Section C 59(9) (2003) o514-o515

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$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/2/01/35/2013516.cif $ #-------------------------------------------------------------------...

2,013,517

11.825

0.011

8.195

0.008

20.097

0.011

90

null

95.16

0.003

90

null

1,940

3

293

2

293

2

null

5

P 1 21/n 1

-P 2yn

14

poly[hexa(nicotinato)tricadmium(II) tetrahydrate]

- C36 H32 Cd3 N6 O16 -

- C72 H64 Cd6 N12 O32 -

2

0.5

SK1659

Chen Hong-Ji

Polymeric hexa-μ-nicotinato-tricadmium(II) tetrahydrate

Acta Crystallographica Section C

2,003

59

9

m371

m372

10.1107/S0108270103016731

0.71073

MoKα

0.0531

0.0486

null

0.1309

0.1349

null

1.094

null

has coordinates,has Fobs

Chen Hong-Ji Polymeric hexa-μ-nicotinato-tricadmium(II) tetrahydrate Acta Crystallographica Section C 59(9) (2003) m371-m372

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/35/2013517.cif $ #-------------------------------------------------------------------...

2,013,518

12.897

0.001

12.897

0.001

8.0078

0.0008

90

null

90

null

90

null

1,332

0.2

293

2

293

2

null

4

P 42 b c

P 4c -2ab

106

2-Nitrimino-1-nitroimidazolidine

- C3 H5 N5 O4 -

- C24 H40 N40 O32 -

8

1

SK1660

Vasiliev, Alexander D.; Astachov, Alexander M.; Molokeev, Maxim S.; Kruglyakova, Ludmila A.; Stepanov, Rudolf S.

2-Nitrimino-1-nitroimidazolidine

Acta Crystallographica Section C

2,003

59

9

o499

o501

10.1107/S0108270103015671

1.5418

CuKα

0.033

0.0285

null

0.076

0.0786

null

1.008

null

has coordinates,has Fobs

Vasiliev, Alexander D.; Astachov, Alexander M.; Molokeev, Maxim S.; Kruglyakova, Ludmila A.; Stepanov, Rudolf S. 2-Nitrimino-1-nitroimidazolidine Acta Crystallographica Section C 59(9) (2003) o499-o501

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$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/2/01/35/2013518.cif $ #-------------------------------------------------------------------...

2,013,519

9.3994

0.001

14.4249

0.0015

14.8129

0.0015

90

null

90

null

90

null

2,008.4

0.4

293

2

293

2

null

4

P 21 21 21

P 2ac 2ab

19

Rotenone α-oxime

1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)- [1]benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6H)-one oxime

- C23 H23 N O6 -

- C92 H92 N4 O24 -

4

1

SQ1014

Yang, Shi-Ping; Yu, Xi-Bin; Huang, Ji-Guang; Xu, Han-Hong

Rotenone α-oxime

Acta Crystallographica Section C

2,003

59

7

o392

o393

10.1107/S010827010301117X

0.71073

MoKα

0.1001

0.0643

null

0.1585

0.176

null

0.915

null

has coordinates,has Fobs

Yang, Shi-Ping; Yu, Xi-Bin; Huang, Ji-Guang; Xu, Han-Hong Rotenone α-oxime Acta Crystallographica Section C 59(7) (2003) o392-o393

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/35/2013519.cif $ #-------------------------------------------------------------------...

2,013,520

19.01

0.09

7.694

0.016

8.72

0.02

90.04

0.003

90.003

0.005

89.994

0.005

1,275

7

105

2

105

2

null

6

P 1

1

baryum nitroprusside trihydrate

- C5 H6 Ba Fe N6 O4 -

- C20 H24 Ba4 Fe4 N24 O16 -

4

SQ1015

G. Chevrier; J.M. Kiat; J. Guida; A. Navaza

An ordered low-temperature phase of barium nitroprusside trihydrate studied by neutron diffraction

Acta Crystallographica Section C

2,003

59

7

i59

i62

10.1107/S0108270103010199

neutron

1.548

neutron

0.0843

0.0782

null

0.087

0.0874

null

3.748

null

has coordinates

G. Chevrier; J.M. Kiat; J. Guida; A. Navaza An ordered low-temperature phase of barium nitroprusside trihydrate studied by neutron diffraction Acta Crystallographica Section C 59(7) (2003) i59-i62

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/2/01/35/2013520.cif $ #-------------------------------------------------------------------...

2,013,521

11.6693

0.0015

7.979

0.0008

17.5818

0.0013

90

null

90.673

0.009

90

null

1,636.9

0.3

293

2

293

2

null

3

P 1 21/n 1

-P 2yn

14

(E)-1-(2-hydroxy-4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethene

- C18 H20 O5 -

- C72 H80 O20 -

4

1

SQ1018

Jianxing Zhang; Shou-Feng Chen; Kevin K. Klausmeyer; Robert R. Kane

(E)-1-(2-Hydroxy-4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethene

Acta Crystallographica Section C

2,003

59

7

o381

o382

10.1107/S0108270103010667

0.71073

MoKα

0.0574

0.0502

null

0.1335

null

0.1281

null

1.103

null

1.159

null

has coordinates,has Fobs

Jianxing Zhang; Shou-Feng Chen; Kevin K. Klausmeyer; Robert R. Kane (E)-1-(2-Hydroxy-4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethene Acta Crystallographica Section C 59(7) (2003) o381-o382

301,798

2025-08-19

6:42:14

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2,013,522

12.502

0.0002

17.204

0.0003

21.34

0.0003

90

null

93.094

0.0011

90

null

4,583.21

0.13

130

2

130

2

null

8

P 1 21/n 1

-P 2yn

14

[Co^II^~3~(DADIT)~3~](Cl)(PF~6~)~2~

- C30 H63 Cl Co3 F12 N6 P2 S3 -

- C120 H252 Cl4 Co12 F48 N24 P8 S12 -

4

1

SQ1019

Shearer, Jason; Kaminsky, Werner; Kovacs, Julie, A.

A chloride ion contained in a cobalt `claw': [Co~3~(DADIT)~3~]Cl(PF~6~)~2~

Acta Crystallographica Section C

2,003

59

9

m379

m380

10.1107/S0108270103013593

0.7107

MoKα

0.0569

0.0386

null

0.0955

0.1036

null

1.014

null

has coordinates

Shearer, Jason; Kaminsky, Werner; Kovacs, Julie, A. A chloride ion contained in a cobalt `claw': [Co~3~(DADIT)~3~]Cl(PF~6~)~2~ Acta Crystallographica Section C 59(9) (2003) m379-m380

301,798

2025-08-19

6:42:14

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2,013,523

10.3816

0.0003

18.6749

0.0006

14.8264

0.0004

90

null

94.517

0.002

90

null

2,865.55

0.15

293

2

293

2

null

5

C 1 2/c 1

-C 2yc

15

[Zn~3~(H~2~O)~2~(C~9~H~4~O~6~)~2~(C~10~H~8~N~2~)]

- C28 H18 N2 O14 Zn3 -

- C112 H72 N8 O56 Zn12 -

4

0.5

SQ1022

Shi, Zhan; Hou, Ying; Hua, Jia; Li, Guanghua; Feng, Shouhua

Polymeric diaquabis[μ~4~-1,3,5-benzenetricarboxylato(3‒)](μ-4,4'-bipyridine)trizinc(II)

Acta Crystallographica Section C

2,003

59

8

m337

m338

10.1107/S0108270103014252

0.71073

MoKα

0.0451

0.0281

null

0.0667

0.0684

null

0.91

null

has coordinates,has Fobs

Shi, Zhan; Hou, Ying; Hua, Jia; Li, Guanghua; Feng, Shouhua Polymeric diaquabis[μ~4~-1,3,5-benzenetricarboxylato(3‒)](μ-4,4'-bipyridine)trizinc(II) Acta Crystallographica Section C 59(8) (2003) m337-m338

176,760

2020-10-21

18:00:00

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2,013,524

8.4499

0.0001

9.2595

0.0002

16.2911

0.0004

90

null

100.339

0.0008

90

null

1,253.95

0.04

298

2

298

2

null

4

P 1 21/n 1

-P 2yn

14

erbium mellitate

catena-Poly[[bis[pentaaquaerbium(III)]-μ-benzenehexacarboxylato] tetrahydrate]

- C12 H28 Er2 O26 -

- C12 Er2 O26 -

- C24 Er4 O52 -

2

0.5

TA1398

Deluzet, André; Guillou, Olivier

catena-Poly[[bis[pentaaquaerbium(III)]-μ-benzenehexacarboxylato] tetrahydrate]

Acta Crystallographica Section C

2,003

59

7

m277

m279

10.1107/S010827010300341X

0.71073

MoKα

0.053

0.037

null

0.085

0.093

null

1.031

null

has coordinates,has Fobs

Deluzet, André; Guillou, Olivier catena-Poly[[bis[pentaaquaerbium(III)]-μ-benzenehexacarboxylato] tetrahydrate] Acta Crystallographica Section C 59(7) (2003) m277-m279

176,760

2020-10-21

18:00:00

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2,013,525

5.062

0.0002

5.223

0.0003

16.006

0.0009

90

null

90

null

90

null

423.18

0.04

293

2

293

2

null

4

P m c 21

P 2c -2

26

caesium lithium sulfate

- Cs1.15 Li2.85 O8 S2 -

- Cs2.3 Li5.7 O16 S4 -

2

0.5

TA1399

Lima, Ricardo J. C.; Sasaki, Jose M.; Ayala, Alejandro P.; Freire, Paulo T. C.; Mendes-Filho, Josue; Melo, Francisco E. A.; Ellena, Javier; Santos-Jr, Sauli

New crystals in the lithium sulfate family

Acta Crystallographica Section C

2,003

59

7

i67

i70

10.1107/S0108270103004785

0.71073

MoKα

0.0445

0.0444

null

0.1324

0.1325

null

1.069

null

has coordinates

Lima, Ricardo J. C.; Sasaki, Jose M.; Ayala, Alejandro P.; Freire, Paulo T. C.; Mendes-Filho, Josue; Melo, Francisco E. A.; Ellena, Javier; Santos-Jr, Sauli New crystals in the lithium sulfate family Acta Crystallographica Section C 59(7) (2003) i67-i70

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/35/2013525.cif $ #-------------------------------------------------------------------...

2,013,526

5.053

0.0002

5.199

0.0004

15.984

0.0008

90

null

90.297

0.003

90

null

419.9

0.04

293

2

293

2

null

5

P 1 c 1

P -2yc

7

caesium lithium rubidium sulfate

- Cs0.9 Li2.88 O8 Rb0.22 S2 -

- Cs1.8 Li5.76 O16 Rb0.44 S4 -

2

1

TA1399

Lima, Ricardo J. C.; Sasaki, Jose M.; Ayala, Alejandro P.; Freire, Paulo T. C.; Mendes-Filho, Josue; Melo, Francisco E. A.; Ellena, Javier; Santos-Jr, Sauli

New crystals in the lithium sulfate family

Acta Crystallographica Section C

2,003

59

7

i67

i70

10.1107/S0108270103004785

0.71073

MoKα

0.0264

0.025

null

0.0673

0.0825

null

1.216

null

has coordinates,has Fobs

Lima, Ricardo J. C.; Sasaki, Jose M.; Ayala, Alejandro P.; Freire, Paulo T. C.; Mendes-Filho, Josue; Melo, Francisco E. A.; Ellena, Javier; Santos-Jr, Sauli New crystals in the lithium sulfate family Acta Crystallographica Section C 59(7) (2003) i67-i70

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/2/01/35/2013526.cif $ #-------------------------------------------------------------------...

2,013,527

7.4019

0.0011

12.762

0.003

14.2535

0.0011

90

null

90

null

90

null

1,346.4

0.4

293

2

293

2

null

7

C m c m

-C 2c 2

63

- C6 H4 Ho K N6 O2 Ru -

- C6 H8 Ho K N6 O4 Ru -

- C24 H32 Ho4 K4 N24 O16 Ru4 -

4

0.25

TA1406

Kautz, Jason A.; Symes, R. Cameron

Polymeric potassium diaquahexa-μ-cyano-holmium(III)ruthenium(II) dihydrate

Acta Crystallographica Section C

2,003

59

9

i89

i91

10.1107/S0108270103013350

0.71073

MoKα

0.0215

0.018

null

0.0401

0.041

null

1.106

null

has coordinates,has Fobs

Kautz, Jason A.; Symes, R. Cameron Polymeric potassium diaquahexa-μ-cyano-holmium(III)ruthenium(II) dihydrate Acta Crystallographica Section C 59(9) (2003) i89-i91

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/35/2013527.cif $ #-------------------------------------------------------------------...

2,013,528

12.264

0.003

10.111

0.002

22.65

0.005

90

null

96.89

0.03

90

null

2,788.3

1.1

293

2

293

2

null

5

P 1 2/c 1

-P 2yc

13

di-μ-fumatato-bis(o-phenanthroline)dicobalt(II)

- C32 H20 Co2 N4 O8 -

- C128 H80 Co8 N16 O32 -

4

1

TA1410

Jian-Fang Ma; Jin Yang; Jing-Fu Liu

A novel cobalt(II) coordination polymer containing the fumarate anion and o-phenanthroline

Acta Crystallographica Section C

2,003

59

8

m304

m306

10.1107/S0108270103012101

0.71073

MoKα

0.0336

0.0275

null

0.0769

0.0858

null

1.073

null

has coordinates,has Fobs

Jian-Fang Ma; Jin Yang; Jing-Fu Liu A novel cobalt(II) coordination polymer containing the fumarate anion and o-phenanthroline Acta Crystallographica Section C 59(8) (2003) m304-m306

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/35/2013528.cif $ #-------------------------------------------------------------------...

2,013,529

10.406

0.001

14.479

0.002

21.421

0.003

90

null

90

null

90

null

3,227.5

0.7

150

2

150

2

null

5

P 21 21 21

P 2ac 2ab

19

- C12 H18 Al3 Br9 N6 -

- C48 H72 Al12 Br36 N24 -

4

1

TA1411

Junk, Peter C.; Skelton, Brian W.; White, Allan H.

Pentaacetonitrilebromoaluminium(III) bis[tetrabromoaluminium(III)] acetonitrile solvate

Acta Crystallographica Section C

2,003

59

7

m289

m290

10.1107/S0108270103011429

0.71073

MoKα

0.058

0.029

null

0.032

null

0.027

null

0.966

null

0.986

null

has coordinates,has Fobs

Junk, Peter C.; Skelton, Brian W.; White, Allan H. Pentaacetonitrilebromoaluminium(III) bis[tetrabromoaluminium(III)] acetonitrile solvate Acta Crystallographica Section C 59(7) (2003) m289-m290

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/2/01/35/2013529.cif $ #-------------------------------------------------------------------...

2,013,530

13.774

0.002

11.233

0.002

24.595

0.004

90

null

99.792

0.002

90

null

3,750

1.1

153

2

153

2

null

3

C 1 c 1

C -2yc

9

- C22 H22 O5 -

- C176 H176 O40 -

8

2

TA1412

Rozek, Tomas; Bowie, John H.; Skelton, Brian W.; White, Allan H.

11-Hydroxy-3,3-dimethyl-7,12-dioxo-3,4,6,6a,7,12,12a,12b-octahydrobenz[a]anthracen-1-yl acetate

Acta Crystallographica Section C

2,003

59

8

o431

o432

10.1107/S0108270103013374

0.71073

MoKα

0.053

0.044

null

0.047

null

0.046

null

1.069

null

1.113

null

has coordinates

Rozek, Tomas; Bowie, John H.; Skelton, Brian W.; White, Allan H. 11-Hydroxy-3,3-dimethyl-7,12-dioxo-3,4,6,6a,7,12,12a,12b-octahydrobenz[a]anthracen-1-yl acetate Acta Crystallographica Section C 59(8) (2003) o431-o432

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$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/2/01/35/2013530.cif $ #-------------------------------------------------------------------...

2,013,531

9.882

0.011

10.705

0.006

41.553

0.017

90

null

90

null

90

null

4,396

6

293

2

293

2

null

4

P 21 21 21

P 2ac 2ab

19

(N-benzhydrylamino)carbonylmethyl N-benzyloxycarbonyl-α-aminoisobutyrylprolylvalinate monohydrate

- C43 H57 N5 O9 -

- C172 H228 N20 O36 -

4

1

TR1055

Geßmann,Renate; Norbert Schiemann; Brückner,Hans; Petratos, Kyriacos

The tetrapeptide Z-Leu-Aib-Pro-Val-OBg monohydrate

Acta Crystallographica Section C

2,003

59

8

o413

o415

10.1107/S0108270103010291

1.54178

CuKα

0.1055

0.0613

null

0.1566

0.184

null

1.077

null

has coordinates,has Fobs

Geßmann,Renate; Norbert Schiemann; Brückner,Hans; Petratos, Kyriacos The tetrapeptide Z-Leu-Aib-Pro-Val-OBg monohydrate Acta Crystallographica Section C 59(8) (2003) o413-o415

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$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/2/01/35/2013531.cif $ #-------------------------------------------------------------------...

2,013,532

12.6929

0.0012

6.1566

0.0006

7.8385

0.0007

90

null

104.419

0.002

90

null

593.25

0.1

100

2

100

2

null

5

P 1 21/c 1

-P 2ybc

14

silver xanthate

(O-ethyl dithiocarbonato)silver(I)

- C3 H5 Ag O S2 -

- C12 H20 Ag4 O4 S8 -

4

1

TR1062

Ara, Irene; El Bahij, Fatima; Lachkar, Mohamed

Polymeric (O-ethyl dithiocarbonato)silver(I)

Acta Crystallographica Section C

2,003

59

7

m265

m267

10.1107/S0108270103010175

0.71073

MoKα

0.0442

0.0386

null

0.0892

0.0917

null

1.033

null

has coordinates

Ara, Irene; El Bahij, Fatima; Lachkar, Mohamed Polymeric (O-ethyl dithiocarbonato)silver(I) Acta Crystallographica Section C 59(7) (2003) m265-m267

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/35/2013532.cif $ #-------------------------------------------------------------------...

2,013,533

15.24

0.003

11.424

0.002

7.667

0.0015

90

null

96.79

0.03

90

null

1,325.5

0.4

298.4

0.2

298.4

0.2

null

5

P 1 21/c 1

-P 2ybc

14

catena-poly[[diaquapyridinenickel(II)]- μ-pyridine-2,3-dicarboxylato-κ^3^N,O^2^:O^3^]

- C12 H12 N2 Ni O6 -

- C48 H48 N8 Ni4 O24 -

4

1

TR1063

Zhang, Hong-Tao; Chen, Ya-Qing; Xu, Li; You, Xiao-Zeng

A one-dimensional zigzag coordination polymer: catena-poly[[diaquapyridinenickel(II)]-μ-pyridine-2,3-dicarboxylato-κ^3^N,O^2^:O^3^]

Acta Crystallographica Section C

2,003

59

9

m373

m375

10.1107/S0108270103014422

0.71073

MoKα

0.121

0.0447

null

0.0841

0.1029

null

1

null

has coordinates,has Fobs

Zhang, Hong-Tao; Chen, Ya-Qing; Xu, Li; You, Xiao-Zeng A one-dimensional zigzag coordination polymer: catena-poly[[diaquapyridinenickel(II)]-μ-pyridine-2,3-dicarboxylato-κ^3^N,O^2^:O^3^] Acta Crystallographica Section C 59(9) (2003) m373-m375

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/35/2013533.cif $ #-------------------------------------------------------------------...

2,013,534

8.75

0.002

18.39

0.004

30.485

0.006

90

null

91.49

0.03

90

null

4,903.8

1.8

293

2

150

2

null

5

P 1 21/c 1

-P 2ybc

14

- C18 H24 Co N9 S3 -

- C144 H192 Co8 N72 S24 -

8

2

AV1141

Jaćimović, Željko K.; Tomić, Zoran D.; Gerald Giester; Leovac, Vukadin M

Tris(3,5-dimethyl-1H-pyrazole-1-thiocarboxamidato-κ^2^N^2^,N)cobalt(III)

Acta Crystallographica Section C

2,003

59

10

m381

m383

10.1107/S0108270103016755

0.71073

MoKα

null

0.0512

null

0.1414

null

1.083

null

has coordinates,has Fobs

Jaćimović, Željko K.; Tomić, Zoran D.; Gerald Giester; Leovac, Vukadin M Tris(3,5-dimethyl-1H-pyrazole-1-thiocarboxamidato-κ^2^N^2^,N)cobalt(III) Acta Crystallographica Section C 59(10) (2003) m381-m383

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$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/2/01/35/2013534.cif $ #-------------------------------------------------------------------...

2,013,535

8.3027

0.0017

24.083

0.005

8.5884

0.0017

90

null

103.92

0.03

90

null

1,666.9

0.6

293

2

293

2

null

7

P 1 21/c 1

-P 2ybc

14

Chlorotris(dimethyl sulfide-κS)platinum(II) hexafluorophosphate

- C6 H18 Cl F6 P Pt S3 -

- C24 H72 Cl4 F24 P4 Pt4 S12 -

4

1

AV1144

Hansson, Christian; Kukushkin, Vadim Yu.; Lövqvist, Karin; Yong, Shen; Oskarsson, Åke

Hexafluorophosphates of chlorotris(dimethyl sulfide)platinum(II) and bromotris(dimethyl sulfide)platinum(II)

Acta Crystallographica Section C

2,003

59

11

m432

m434

10.1107/S0108270103020225

0.71073

MoKα

0.0552

0.0323

null

0.0758

0.0807

null

1.023

null

has coordinates,has Fobs

Hansson, Christian; Kukushkin, Vadim Yu.; Lövqvist, Karin; Yong, Shen; Oskarsson, Åke Hexafluorophosphates of chlorotris(dimethyl sulfide)platinum(II) and bromotris(dimethyl sulfide)platinum(II) Acta Crystallographica Section C 59(11) (2003) m432-m434

176,760

2020-10-21

18:00:00

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2,013,536

8.5981

0.0004

23.9384

0.001

8.3852

0.0003

90

null

104.235

0.001

90

null

1,672.89

0.12

293

2

293

2

null

7

P 1 21/c 1

-P 2ybc

14

Bromotris(dimethyl sulfide-κS)platinum(II) hexafluorophosphate

- C6 H18 Br F6 P Pt S3 -

- C24 H72 Br4 F24 P4 Pt4 S12 -

4

1

AV1144

Hansson, Christian; Kukushkin, Vadim Yu.; Lövqvist, Karin; Yong, Shen; Oskarsson, Åke

Hexafluorophosphates of chlorotris(dimethyl sulfide)platinum(II) and bromotris(dimethyl sulfide)platinum(II)

Acta Crystallographica Section C

2,003

59

11

m432

m434

10.1107/S0108270103020225

0.71073

MoKα

0.0909

0.0449

null

0.0866

0.0959

null

1.011

null

has coordinates,has Fobs

Hansson, Christian; Kukushkin, Vadim Yu.; Lövqvist, Karin; Yong, Shen; Oskarsson, Åke Hexafluorophosphates of chlorotris(dimethyl sulfide)platinum(II) and bromotris(dimethyl sulfide)platinum(II) Acta Crystallographica Section C 59(11) (2003) m432-m434

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/35/2013536.cif $ #-------------------------------------------------------------------...

2,013,537

8.4717

0.0006

17.0289

0.001

8.5571

0.0007

90

null

112.784

0.006

90

null

1,138.15

0.15

150

1

150

1

null

6

P 1 21/n 1

-P 2yn

14

Dichlorobis(imidazolidin-2-one-κO)zinc(II)

Zinc(II) dichloro bis(2-imidazolidinone)

- C6 H12 Cl2 N4 O2 Zn -

- C24 H48 Cl8 N16 O8 Zn4 -

4

1

AV1145

Larry R. Falvello; Eva M. Miqueleiz; Tatiana Soler; Milagros Tomás

Dichlorobis(imidazolidin-2-one-κO)zinc(II) at 150K

Acta Crystallographica Section C

2,003

59

11

m442

m445

10.1107/S0108270103020195

0.71073

MoKα

0.0387

0.0291

null

0.063

0.0668

null

1.042

null

has coordinates,has Fobs

Larry R. Falvello; Eva M. Miqueleiz; Tatiana Soler; Milagros Tomás Dichlorobis(imidazolidin-2-one-κO)zinc(II) at 150K Acta Crystallographica Section C 59(11) (2003) m442-m445

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/35/2013537.cif $ #-------------------------------------------------------------------...

2,013,538

13.069

0.003

25.602

0.005

22.991

0.005

90

null

92.66

0.03

90

null

7,684

3

293

2

200

2

null

7

C 1 c 1

C -2yc

9

Tris(μ~2~-chloro)-bis(tripod)-diruthenium(II) hexafluorophosphate ethanol solvate

Tri-μ-chloro-bis{[1,1,1-tris(diphenylphosphinomethyl)ethane- κ^3^P,P',P'']ruthenium(II)} hexafluorophosphate ethanol solvate

- C84 H84 Cl3 F6 O P7 Ru2 -

- C336 H336 Cl12 F24 O4 P28 Ru8 -

4

1

AV1146

Seok, Won K.; Zhang, Li J.; Karaghiosoff, Konstantin; Klapötke, Thomas M.; Mayer, Peter

A trichloro-bridged binuclear ruthenium complex with 1,1,1-tris(diphenylphosphinomethyl)ethane

Acta Crystallographica Section C

2,003

59

11

m439

m441

10.1107/S0108270103020432

0.71073

MoKα

0.046

0.033

null

0.055

0.057

null

0.887

null

has coordinates,has Fobs

Seok, Won K.; Zhang, Li J.; Karaghiosoff, Konstantin; Klapötke, Thomas M.; Mayer, Peter A trichloro-bridged binuclear ruthenium complex with 1,1,1-tris(diphenylphosphinomethyl)ethane Acta Crystallographica Section C 59(11) (2003) m439-m441

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/35/2013538.cif $ #-------------------------------------------------------------------...

2,013,539

16.4

0.003

10.174

0.002

17.016

0.003

90

null

95.5

0.03

90

null

2,826.1

0.9

293

2

293

2

null

7

P 1 21/c 1

-P 2ybc

14

tetrakis(5-methyl-1H-imidazole-κN^3^)copper(II) trifluoromethanesulfonate

- C18 H24 Cu F6 N8 O6 S2 -

- C72 H96 Cu4 F24 N32 O24 S8 -

4

1

AV1148

Wang, Hai-Ying; Liu, Shyh-Jiun; Wang, Ru-Ji; Su, Chan-Cheng

The effects of substitution on tetrakis(substituted imidazole)copper(II) trifluoromethanesulfonates

Acta Crystallographica Section C

2,003

59

12

m512

m515

10.1107/S0108270103021061

0.71073

MoKα

0.1068

0.0411

null

0.0862

0.1027

null

1.026

null

has coordinates,has Fobs

Wang, Hai-Ying; Liu, Shyh-Jiun; Wang, Ru-Ji; Su, Chan-Cheng The effects of substitution on tetrakis(substituted imidazole)copper(II) trifluoromethanesulfonates Acta Crystallographica Section C 59(12) (2003) m512-m515

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$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/2/01/35/2013539.cif $ #-------------------------------------------------------------------...

2,013,540

15.408

0.003

12.627

0.003

20.38

0.004

90

null

104.37

0.03

90

null

3,841

1.5

293

2

293

2

null

7

P 1 21/c 1

-P 2ybc

14

aquatetrakis(2-ethyl-5-methyl-1H-imidazole-κN^3^)copper(II) trifluoromethanesulfonate

- C26 H42 Cu F6 N8 O7 S2 -

- C104 H168 Cu4 F24 N32 O28 S8 -

4

1

AV1148

Wang, Hai-Ying; Liu, Shyh-Jiun; Wang, Ru-Ji; Su, Chan-Cheng

The effects of substitution on tetrakis(substituted imidazole)copper(II) trifluoromethanesulfonates

Acta Crystallographica Section C

2,003

59

12

m512

m515

10.1107/S0108270103021061

0.71073

MoKα

0.1777

0.0635

null

0.1229

0.155

null

1.018

null

has coordinates,has disorder,has Fobs

Wang, Hai-Ying; Liu, Shyh-Jiun; Wang, Ru-Ji; Su, Chan-Cheng The effects of substitution on tetrakis(substituted imidazole)copper(II) trifluoromethanesulfonates Acta Crystallographica Section C 59(12) (2003) m512-m515

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$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/2/01/35/2013540.cif $ #-------------------------------------------------------------------...

2,013,541

7.6488

0.0015

18.732

0.004

8.6668

0.0017

90

null

112.11

0.03

90

null

1,150.4

0.5

293

2

293

2

null

5

P 1 21/n 1

-P 2yn

14

poly[[dichlorocadmium(II)]-di-μ-1,1'-(1,4-butanediyl)diimidazole]

- C20 H28 Cd Cl2 N8 -

- C40 H56 Cd2 Cl4 N16 -

2

0.5

AV1149

Ma, Jian-Fang; Yang, Jin; Liu, Jing-Fu

A novel Cd^II^ coordination polymer with 1,1'-(1,4-butanediyl)diimidazole

Acta Crystallographica Section C

2,003

59

11

m482

m483

10.1107/S0108270103022443

0.71073

MoKα

0.031

0.022

null

0.064

0.066

null

1.021

null

has coordinates,has Fobs

Ma, Jian-Fang; Yang, Jin; Liu, Jing-Fu A novel Cd^II^ coordination polymer with 1,1'-(1,4-butanediyl)diimidazole Acta Crystallographica Section C 59(11) (2003) m482-m483

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/35/2013541.cif $ #-------------------------------------------------------------------...

2,013,542

6.6855

0.0002

13.2221

0.0003

9.9254

0.0003

90

null

102.543

0.0008

90

null

856.43

0.04

293

2

null

6

P 1 21/c 1

-P 2ybc

14

- C12 H12 Cl2 Cu N4 O6 -

- C24 H24 Cl4 Cu2 N8 O12 -

2

0.5

AV1150

Xuan, Richeng; Li, Meichao; Wan, Yuehua

Bis(2-chloro-5-methylpyridine-κN)bis(nitrato-κ^2^O,O')copper(II)

Acta Crystallographica Section C

2,003

59

11

m462

m464

10.1107/S010827010302198X

0.71073

MoKα

null

0.028

null

0.072

null

1.076

null

has coordinates,has Fobs

Xuan, Richeng; Li, Meichao; Wan, Yuehua Bis(2-chloro-5-methylpyridine-κN)bis(nitrato-κ^2^O,O')copper(II) Acta Crystallographica Section C 59(11) (2003) m462-m464

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$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/2/01/35/2013542.cif $ #-------------------------------------------------------------------...

2,013,543

7.743

0.001

14.94

0.003

6.523

0.001

90

null

90

null

90

null

754.6

0.2

293

2

293

2

null

5

P b c m

-P 2c 2b

57

2-Chloro-4,6-dimethoxy-1,3,5-triazine

- C5 H6 Cl N3 O2 -

- C20 H24 Cl4 N12 O8 -

4

0.5

AV1154

Natalya Fridman; Moshe Kapon; Menahem Kaftory

2-Chloro-4,6-dimethoxy-1,3,5-triazine

Acta Crystallographica Section C

2,003

59

12

o685

o686

10.1107/S0108270103024569

0.71073

MoKα

0.0526

0.0305

null

0.0712

0.0748

null

0.894

null

has coordinates,has Fobs

Natalya Fridman; Moshe Kapon; Menahem Kaftory 2-Chloro-4,6-dimethoxy-1,3,5-triazine Acta Crystallographica Section C 59(12) (2003) o685-o686

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/35/2013543.cif $ #-------------------------------------------------------------------...

2,013,544

10.244

0.002

9.208

0.003

11.615

0.003

90

null

99.7

0.03

90

null

1,079.9

0.5

293

2

293

2

null

4

P 1 21/n 1

-P 2yn

14

4-(4,6-dimethoxy-1,3,5-triazin-2-yl)morpholine

- C9 H14 N4 O3 -

- C36 H56 N16 O12 -

4

1

AV1155

Natalya Fridman; Moshe Kapon; Menahem Kaftory

Derivatives of 2,4-dimethoxy-1,3,5-triazine

Acta Crystallographica Section C

2,003

59

12

o687

o689

10.1107/S0108270103024570

0.71073

MoKα

0.148

0.0632

null

0.1351

0.1588

null

0.977

null

has coordinates,has Fobs

Natalya Fridman; Moshe Kapon; Menahem Kaftory Derivatives of 2,4-dimethoxy-1,3,5-triazine Acta Crystallographica Section C 59(12) (2003) o687-o689

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$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/2/01/35/2013544.cif $ #-------------------------------------------------------------------...

2,013,545

7.386

0.002

9.718

0.002

9.868

0.002

108.73

0.02

93.36

0.02

109.67

0.02

620.5

0.3

293

2

293

2

null

4

P -1

-P 1

2

3-(4,6-dimethoxy-1,3,5-triazin-2-yloxy)-2-methylphenol

- C12 H13 N3 O4 -

- C24 H26 N6 O8 -

2

1

AV1155

Natalya Fridman; Moshe Kapon; Menahem Kaftory

Derivatives of 2,4-dimethoxy-1,3,5-triazine

Acta Crystallographica Section C

2,003

59

12

o687

o689

10.1107/S0108270103024570

0.7107

MoKα

0.0669

0.0418

null

0.1189

0.1287

null

1.029

null

has coordinates,has Fobs

Natalya Fridman; Moshe Kapon; Menahem Kaftory Derivatives of 2,4-dimethoxy-1,3,5-triazine Acta Crystallographica Section C 59(12) (2003) o687-o689

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$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/2/01/35/2013545.cif $ #-------------------------------------------------------------------...

2,013,546

32.61

0.006

13.757

0.003

15.904

0.003

90

null

111.56

0.02

90

null

6,636

2

293

2

293

2

null

4

C 1 2/c 1

-C 2yc

15

4-(4,6-Dimethoxy-1,3,5-triazin-2-yloxy)phenyl phenyl ketone

- C18 H15 N3 O4 -

- C288 H240 N48 O64 -

16

2

AV1155

Natalya Fridman; Moshe Kapon; Menahem Kaftory

Derivatives of 2,4-dimethoxy-1,3,5-triazine

Acta Crystallographica Section C

2,003

59

12

o687

o689

10.1107/S0108270103024570

0.71073

MoKα

0.081

0.0385

null

0.0928

0.1

null

0.854

null

has coordinates,has Fobs

Natalya Fridman; Moshe Kapon; Menahem Kaftory Derivatives of 2,4-dimethoxy-1,3,5-triazine Acta Crystallographica Section C 59(12) (2003) o687-o689

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$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/2/01/35/2013546.cif $ #-------------------------------------------------------------------...

2,013,547

9.4424

0.00005

9.4424

0.00005

110.079

0.0007

90

null

90

null

120

null

8,499.63

0.08

293

2

293

2

null

3

R -3 c :H

-R 3 2"c

167

- Cs6 Mo27 S31 -

- Cs36 Mo162 S186 -

6

0.166667

BC1009

Picard, S.; Salloum, D.; Gougeon, P.; Potel, M.

Cs~6~Mo~27~S~31~: a novel ternary reduced molybdenum sulfide containing Mo~9~ and Mo~18~ clusters

Acta Crystallographica Section C

2,003

59

11

i112

i114

10.1107/S0108270103006243

0.71069

MoKα

0.0421

0.0266

null

0.0447

0.0479

null

1.122

null

has coordinates,has Fobs

Picard, S.; Salloum, D.; Gougeon, P.; Potel, M. Cs~6~Mo~27~S~31~: a novel ternary reduced molybdenum sulfide containing Mo~9~ and Mo~18~ clusters Acta Crystallographica Section C 59(11) (2003) i112-i114

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/2/01/35/2013547.cif $ #-------------------------------------------------------------------...

2,013,548

12.2692

0.0012

20.057

0.002

12.282

0.0013

90

null

113.803

0.011

90

null

2,765.3

0.5

293

2

null

5

P 1 21/n 1

-P 2yn

14

- Cd3 Cl9 H30 O15 Yb -

- Cd12 Cl36 H120 O60 Yb4 -

4

1

BC1020

Yahyaoui, Samia; Ben Hassen, Rached; Donnadieu, Bruno; Daran, Jean Claude; Ben Salah, Abdelhamid

[Yb(H~2~O)~8~][Cd~3~Cl~9~(H~2~O)]·6H~2~O

Acta Crystallographica Section C

2,003

59

11

i109

i111

10.1107/S0108270103015877

0.71073

MoKα

0.027

0.0268

null

0.064

0.0641

null

1.292

null

has coordinates,has Fobs

Yahyaoui, Samia; Ben Hassen, Rached; Donnadieu, Bruno; Daran, Jean Claude; Ben Salah, Abdelhamid [Yb(H~2~O)~8~][Cd~3~Cl~9~(H~2~O)]·6H~2~O Acta Crystallographica Section C 59(11) (2003) i109-i111

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/35/2013548.cif $ #-------------------------------------------------------------------...

2,013,549

6.8691

0.0016

8.96

0.002

4.7168

0.0011

90

null

101.73

0.018

90

null

284.24

0.11

280

1

null

3

C 1 2/m 1

-C 2y

12

diyttrium disilicate

- O7 Si2 Y2 -

- O14 Si4 Y4 -

2

0.25

BC1023

Redhammer, Günther J.; Roth, Georg; .

β-Y~2~Si~2~O~7~, a new thortveitite-type compound, determined at 100 and 280K

Acta Crystallographica Section C

2,003

59

10

i103

i106

10.1107/S0108270103018869

0.71073

MoKα

null

0.019

null

0.045

null

1.171

null

has coordinates,has Fobs

Redhammer, Günther J.; Roth, Georg; . β-Y~2~Si~2~O~7~, a new thortveitite-type compound, determined at 100 and 280K Acta Crystallographica Section C 59(10) (2003) i103-i106

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/35/2013549.cif $ #-------------------------------------------------------------------...

2,013,550

6.8667

0.0016

8.959

0.002

4.7167

0.0011

90

null

101.724

0.018

90

null

284.11

0.11

100

1

null

3

C 1 2/m 1

-C 2y

12

- O7 Si2 Y2 -

- O14 Si4 Y4 -

2

0.25

BC1023

Redhammer, Günther J.; Roth, Georg; .

β-Y~2~Si~2~O~7~, a new thortveitite-type compound, determined at 100 and 280K

Acta Crystallographica Section C

2,003

59

10

i103

i106

10.1107/S0108270103018869

0.71073

MoKα

null

0.021

null

0.048

null

1.122

null

has coordinates,has Fobs

Redhammer, Günther J.; Roth, Georg; . β-Y~2~Si~2~O~7~, a new thortveitite-type compound, determined at 100 and 280K Acta Crystallographica Section C 59(10) (2003) i103-i106

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/35/2013550.cif $ #-------------------------------------------------------------------...

2,013,551

4.1537

0.0007

4.1537

0.0007

6.862

0.002

90

null

90

null

120

null

102.53

0.04

150

2

150

2

null

2

P -3 m 1

-P 3 2"

164

- I2 Mg -

1

0.083333

BC1028

Brogan, Michael A.; Blake, Alexander J.; Wilson, Claire; Gregory, Duncan H.

Magnesium diiodide, MgI~2~

Acta Crystallographica Section C

2,003

59

12

i136

i138

10.1107/S0108270103025769

0.71073

MoKα

0.0209

0.0208

null

0.0627

0.0628

null

1.13

null

has coordinates,has Fobs

Brogan, Michael A.; Blake, Alexander J.; Wilson, Claire; Gregory, Duncan H. Magnesium diiodide, MgI~2~ Acta Crystallographica Section C 59(12) (2003) i136-i138

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$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/2/01/35/2013551.cif $ #-------------------------------------------------------------------...

2,013,552

15.3857

0.0003

5.8668

0.0001

11.954

0.0003

90

null

104.985

0.002

90

null

1,042.33

0.04

120

2

null

4

P 1 21/c 1

-P 2ybc

14

- C13 H9 Cl O2 -

- C52 H36 Cl4 O8 -

4

1

BM1540

Cox, Philip J.; MacManus, Stephen M.

5-Chloro-2-hydroxybenzophenone, featuring O—H···O, C—H···O, C—H···π and π–π interactions

Acta Crystallographica Section C

2,003

59

10

o603

o604

10.1107/S0108270103019656

0.71073

MoKα

null

0.034

null

0.092

null

1.031

null

has coordinates,has Fobs

Cox, Philip J.; MacManus, Stephen M. 5-Chloro-2-hydroxybenzophenone, featuring O—H···O, C—H···O, C—H···π and π–π interactions Acta Crystallographica Section C 59(10) (2003) o603-o604

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$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/2/01/35/2013552.cif $ #-------------------------------------------------------------------...

2,013,553

11.3902

0.0002

13.9774

0.0001

18.0502

0.0002

90

null

104.134

0.001

90

null

2,786.69

0.06

150

2

150

2

null

6

P 1 21/c 1

-P 2ybc

14

- C56 H64 Cl6 N2 O6 Zr -

- C112 H128 Cl12 N4 O12 Zr2 -

2

0.5

BM1541

Nielson, Alastair J.; Shen, Chaohong; Waters, Joyce M.

A zirconium zwitterion containing a caged amine H atom

Acta Crystallographica Section C

2,003

59

11

m494

m496

10.1107/S0108270103022595

0.71073

MoKα

0.055

0.041

null

0.105

0.115

null

1.04

null

has coordinates,has Fobs

Nielson, Alastair J.; Shen, Chaohong; Waters, Joyce M. A zirconium zwitterion containing a caged amine H atom Acta Crystallographica Section C 59(11) (2003) m494-m496

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$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/2/01/35/2013553.cif $ #-------------------------------------------------------------------...

2,013,554

7.6066

0.0009

8.7846

0.0009

9.3316

0.0011

99.918

0.004

95.556

0.004

101.534

0.005

596.23

0.12

123

2

123

2

null

5

P -1

-P 1

2

- C20 H16 Cl6 N4 O4 -

1

0.5

BM1542

Kennedy, Alan R.; Waterson, Fraser R. N.

4,4'-(Azinodimethylene)dipyridinium chloranilate dichloromethane disolvate

Acta Crystallographica Section C

2,003

59

11

o613

o615

10.1107/S010827010302050X

0.71073

MoKα

0.136

0.0582

null

0.121

0.151

null

0.98

null

has coordinates,has Fobs

Kennedy, Alan R.; Waterson, Fraser R. N. 4,4'-(Azinodimethylene)dipyridinium chloranilate dichloromethane disolvate Acta Crystallographica Section C 59(11) (2003) o613-o615

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$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/2/01/35/2013554.cif $ #-------------------------------------------------------------------...

2,013,555

31.548

0.002

11.8574

0.0009

15.6654

0.0011

90

null

112.364

0.002

90

null

5,419.3

0.7

150

2

150

2

null

5

C 1 2 1

C 2y

5

- C16 H20.8 N3 O5.9 S -

- C16 H16.3 N3 O5.90533 S -

- C192 H195.6 N36 O70.864 S12 -

12

3

BM1543

Kennedy, Alan R.; Okoth, Maurice O.; Sheen, David B.; Sherwood, John N.; Teat, Simon J.; Vrcelj, Ranko M.

Cephalexin: a channel hydrate

Acta Crystallographica Section C

2,003

59

11

o650

o652

10.1107/S0108270103022649

0.6891

Synchrotron

0.0984

0.074

null

0.1825

0.1929

null

1.01

null

has coordinates,has Fobs

Kennedy, Alan R.; Okoth, Maurice O.; Sheen, David B.; Sherwood, John N.; Teat, Simon J.; Vrcelj, Ranko M. Cephalexin: a channel hydrate Acta Crystallographica Section C 59(11) (2003) o650-o652

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/35/2013555.cif $ #-------------------------------------------------------------------...

2,013,556

3.6204

0.0011

5.7446

0.0017

8.775

0.003

90.271

0.005

91.97

0.005

105.776

0.005

175.5

0.1

150

2

150

2

null

4

P -1

-P 1

2

Poly[sodium(I)-μ~6~-hydrogen benzene-1,4-dicarboxylato]

- C8 H5 Na O4 -

1

0.5

BM1544

Dale, Sophie H.; Elsegood, Mark R. J.

Poly[sodium(I)-μ~6~-hydrogen benzene-1,4-dicarboxylato]

Acta Crystallographica Section C

2,003

59

11

m475

m477

10.1107/S0108270103022509

0.71073

MoKα

0.031

0.028

null

0.083

0.085

null

1.08

null

has coordinates,has disorder,has Fobs

Dale, Sophie H.; Elsegood, Mark R. J. Poly[sodium(I)-μ~6~-hydrogen benzene-1,4-dicarboxylato] Acta Crystallographica Section C 59(11) (2003) m475-m477

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/35/2013556.cif $ #-------------------------------------------------------------------...

2,013,557

36.706

0.003

4.913

0.0004

12.364

0.005

90

null

98.808

0.004

90

null

2,203.4

0.9

120

2

null

5

C 1 c 1

C -2yc

9

- C26 H18 N4 O6 S -

- C104 H72 N16 O24 S4 -

4

1

BM1545

Cox, Philip J.; Wardell, James L.

4,4'-Sulfonylbis[N-(4-nitrophenylmethylene)benzenamine]: whole-molecule disorder

Acta Crystallographica Section C

2,003

59

12

o706

o708

10.1107/S0108270103025149

0.6934

synchrotron

null

0.0416

null

0.1066

null

1.008

null

has coordinates,has disorder,has Fobs

Cox, Philip J.; Wardell, James L. 4,4'-Sulfonylbis[N-(4-nitrophenylmethylene)benzenamine]: whole-molecule disorder Acta Crystallographica Section C 59(12) (2003) o706-o708

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$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/2/01/35/2013557.cif $ #-------------------------------------------------------------------...

2,013,558

11.619

0.003

7.342

0.002

18.124

0.003

90

null

92.202

0.019

90

null

1,545

0.6

293

2

293

2

null

3

P 1 21/c 1

-P 2ybc

14

5-amino-1-phenyltetrazole

- C7 H7 N5 -

- C56 H56 N40 -

8

2

BM1546

Lyakhov, Alexander S.; Vorobiov, Andrey N.; Gaponik, Pavel N.; Ivashkevich, Ludmila S.; Matulis, Vadim E.; Ivashkevich, Oleg A.

Two derivatives of 5-aminotetrazole: 5-amino-1-phenyltetrazole and 5-amino-1-(1-naphthyl)tetrazole

Acta Crystallographica Section C

2,003

59

12

o690

o693

10.1107/S0108270103024442

0.71073

MoKα

0.0634

0.0465

null

0.1272

0.1447

null

1.046

null

has coordinates,has Fobs

Lyakhov, Alexander S.; Vorobiov, Andrey N.; Gaponik, Pavel N.; Ivashkevich, Ludmila S.; Matulis, Vadim E.; Ivashkevich, Oleg A. Two derivatives of 5-aminotetrazole: 5-amino-1-phenyltetrazole and 5-amino-1-(1-naphthyl)tetrazole Acta Crystallographica Section C 59(12) (2003) o690-o693

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$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/2/01/35/2013558.cif $ #-------------------------------------------------------------------...

2,013,559

12.176

0.005

7.3611

0.0018

11.699

0.003

90

null

93.85

0.03

90

null

1,046.2

0.6

293

2

293

2

null

3

P 1 21/c 1

-P 2ybc

14

5-amino-1-(1-naphthyl)tetrazole

- C11 H9 N5 -

- C44 H36 N20 -

4

1

BM1546

Lyakhov, Alexander S.; Vorobiov, Andrey N.; Gaponik, Pavel N.; Ivashkevich, Ludmila S.; Matulis, Vadim E.; Ivashkevich, Oleg A.

Two derivatives of 5-aminotetrazole: 5-amino-1-phenyltetrazole and 5-amino-1-(1-naphthyl)tetrazole

Acta Crystallographica Section C

2,003

59

12

o690

o693

10.1107/S0108270103024442

0.71073

MoKα

0.0812

0.0617

null

0.1785

0.2069

null

1.028

null

has coordinates,has Fobs

Lyakhov, Alexander S.; Vorobiov, Andrey N.; Gaponik, Pavel N.; Ivashkevich, Ludmila S.; Matulis, Vadim E.; Ivashkevich, Oleg A. Two derivatives of 5-aminotetrazole: 5-amino-1-phenyltetrazole and 5-amino-1-(1-naphthyl)tetrazole Acta Crystallographica Section C 59(12) (2003) o690-o693

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$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/2/01/35/2013559.cif $ #-------------------------------------------------------------------...