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

2,011,960

10.556

0.004

9.191

0.001

12.536

0.006

90

null

114.28

0.05

90

null

1,108.7

0.8

293

null

293

null

4

P 1 21 1

P 2yb

4

- C18 H24 N2 O11 -

- C36 H48 N4 O22 -

2

1

DA1176

Renaudet, Olivier; Dumy, Pascal; Philouze, Christian; Averbuch-Pouchot, Marie-Thérèse

N-(2-Acetamido-3,4,6-tri-O-acetyl-2-deoxy-α-D-galactopyranosyloxy)succinimide

Acta Crystallographica Section C

2,001

57

5

649

650

10.1107/S0108270101003377

0.71073

MoKα

0.069

null

0.055

null

0.055

null

1.939

null

1.939

null

has coordinates,has Fobs

Renaudet, Olivier; Dumy, Pascal; Philouze, Christian; Averbuch-Pouchot, Marie-Thérèse N-(2-Acetamido-3,4,6-tri-O-acetyl-2-deoxy-α-D-galactopyranosyloxy)succinimide Acta Crystallographica Section C 57(5) (2001) 649-650

301,798

2025-08-19

6:41:48

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2,011,961

7.995

0.002

9.261

0.002

18.062

0.002

98.29

0.01

94.47

0.01

101.21

0.01

1,290.4

0.5

293

2

293

2

null

5

P 1

1

- C10 H13.5 N4 O3.75 S -

- C40 H54 N16 O15 S4 -

4

DE1134

Mazumder, G.; De, M.; Mazumder, S. K.; Mukhopadhyay, A.; Das, A. K.; Van Aerschot, A.

9(R)-[6(R)-Hydroxymethyl-1-oxa-4-thiacyclohexan-2-yl]hypoxanthine–water (4/3), a nucleoside analogue

Acta Crystallographica Section C

2,001

57

5

560

561

10.1107/S0108270100010799

0.71069

MoKα

0.0725

0.0715

null

0.1545

0.1535

null

0.958

1.135

null

has coordinates

Mazumder, G.; De, M.; Mazumder, S. K.; Mukhopadhyay, A.; Das, A. K.; Van Aerschot, A. 9(R)-[6(R)-Hydroxymethyl-1-oxa-4-thiacyclohexan-2-yl]hypoxanthine–water (4/3), a nucleoside analogue Acta Crystallographica Section C 57(5) (2001) 560-561

301,798

2025-08-19

6:41:48

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2,011,962

10.8871

0.0002

13.4187

0.0003

17.9641

0.0004

68.7915

0.0012

83.8241

0.001

87.0651

0.0011

2,432.23

0.09

200

2

200

2

null

6

P -1

-P 1

2

Chloro(2-pyridinecarboxaldehyde)(2,2':6',2"-terpyridine)ruthenium(II) Perchlorate, Chloro(2-pyridinecarboxylic acid)(2,2':6',2"-terpyridine)ruthenium(II) Perchlorate, Chloroform, Hydrate (1.8/0.2/1/1)

- C43 H35 Cl7 N8 O11.2 Ru2 -

- C43 H34.799 Cl7 N8 O11.201 Ru2 -

- C86 H69.598 Cl14 N16 O22.402 Ru4 -

2

1

FG1610

Kelson, Eric P.; Phengsy, Proma P.; Arif, Atta M.

A chloro(2-pyridinecarboxaldehyde)(2,2':6',2''-terpyridine)ruthenium(II) complex

Acta Crystallographica Section C

2,001

57

5

517

519

10.1107/S0108270101001305

0.71073

MoKα

0.0867

0.0486

null

0.1162

null

1.017

null

has coordinates,has disorder,has Fobs

Kelson, Eric P.; Phengsy, Proma P.; Arif, Atta M. A chloro(2-pyridinecarboxaldehyde)(2,2':6',2''-terpyridine)ruthenium(II) complex Acta Crystallographica Section C 57(5) (2001) 517-519

176,760

2020-10-21

18:00:00

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2,011,963

13.144

0.003

7.75

0.002

22.415

0.005

90

null

100.87

0.01

90

null

2,242.4

0.9

293

2

293

2

null

3

C 1 2 1

C 2y

5

(-)-3,6-Dioxo-5β-cholanic acid

- C24 H37 O4.5 -

- C24 H36.5 O4.5 -

- C96 H146 O18 -

4

1

FR1302

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

({-})-3,6-Dioxo-5β-cholanic acid: hydrogen bonding in the hemihydrate of a steroidal diketo acid

Acta Crystallographica Section C

2,001

57

5

632

633

10.1107/S0108270101002980

0.71073

MoKα

0.113

0.05

null

0.109

null

1.02

null

has coordinates

Thompson, Hugh W.; Lalancette, Roger A.; Brunskill, Andrew P. J. ({-})-3,6-Dioxo-5β-cholanic acid: hydrogen bonding in the hemihydrate of a steroidal diketo acid Acta Crystallographica Section C 57(5) (2001) 632-633

176,760

2020-10-21

18:00:00

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2,011,964

9.1947

0.0013

11.24

0.003

13.1995

0.0013

95.874

0.013

91.525

0.01

102.63

0.02

1,322.5

0.4

293

2

293

2

null

5

P -1

-P 1

2

Rhodamine-6g

9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)- 2,7-dimethylxanthylium chloride monohydrate

- C28 H33 Cl N2 O4 -

- C28 H31 Cl N2 O4 -

- C56 H62 Cl2 N4 O8 -

2

1

FR1307

Adhikasavalu, D. N.; Mastropaolo, Donald; Camerman, Arthur; Camerman, Norman

Two rhodamine derivatives: 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthylium chloride monohydrate and 3,6-diamino-9-[2-(methoxycarbonyl)phenyl]xanthylium chloride trihydrate

Acta Crystallographica Section C

2,001

57

5

657

659

10.1107/S0108270101003675

0.71073

MoKα

0.0937

0.067

null

0.217

null

1.032

null

has coordinates,has Fobs

Adhikasavalu, D. N.; Mastropaolo, Donald; Camerman, Arthur; Camerman, Norman Two rhodamine derivatives: 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthylium chloride monohydrate and 3,6-diamino-9-[2-(methoxycarbonyl)phenyl]xanthylium chloride trihydrate Acta Crystallographica Section C 57(5) (2001) 6...

176,760

2020-10-21

18:00:00

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2,011,965

13.5624

0.0014

21.468

0.003

15.427

0.003

90

null

95.409

0.012

90

null

4,471.7

1.2

293

2

293

2

null

5

C 1 2/c 1

-C 2yc

15

Rhodamine-123

9-[2-(methoxycarbonyl)phenyl]-3,6-diamio- xanthylium chloride trihydrate

- C21 H23 Cl N2 O6 -

- C21 H21 Cl N2 O6 -

- C168 H168 Cl8 N16 O48 -

8

1

FR1307

Adhikasavalu, D. N.; Mastropaolo, Donald; Camerman, Arthur; Camerman, Norman

Two rhodamine derivatives: 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthylium chloride monohydrate and 3,6-diamino-9-[2-(methoxycarbonyl)phenyl]xanthylium chloride trihydrate

Acta Crystallographica Section C

2,001

57

5

657

659

10.1107/S0108270101003675

0.71073

MoKα

0.1202

0.0715

null

0.2683

null

1.045

null

has coordinates,has Fobs

Adhikasavalu, D. N.; Mastropaolo, Donald; Camerman, Arthur; Camerman, Norman Two rhodamine derivatives: 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthylium chloride monohydrate and 3,6-diamino-9-[2-(methoxycarbonyl)phenyl]xanthylium chloride trihydrate Acta Crystallographica Section C 57(5) (2001) 6...

176,760

2020-10-21

18:00:00

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2,011,966

7.1995

0.0005

12.6309

0.0014

3.7913

0.0003

90.805

0.009

99.905

0.007

94.116

0.008

338.63

0.05

296

2

296

2

null

4

P -1

-P 1

2

- C8 H5 N O2 -

- C16 H10 N2 O4 -

2

1

FR1319

Kubo, Kanji; Yamamoto, Emi; Mori, Akira

5-Cyanotropolone and 5-nitrotropolone

Acta Crystallographica Section C

2,001

57

5

611

613

10.1107/S0108270101002463

0.71073

MoKα

0.0502

0.0361

null

0.1063

null

1.033

null

has coordinates,has Fobs

Kubo, Kanji; Yamamoto, Emi; Mori, Akira 5-Cyanotropolone and 5-nitrotropolone Acta Crystallographica Section C 57(5) (2001) 611-613

301,798

2025-08-19

6:41:48

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2,011,967

7.5701

0.001

14.496

0.003

6.4945

0.0007

90.751

0.014

104.796

0.008

94.41

0.013

686.61

0.19

296

2

296

2

null

4

P -1

-P 1

2

- C7 H5 N O4 -

- C28 H20 N4 O16 -

4

2

FR1319

Kubo, Kanji; Yamamoto, Emi; Mori, Akira

5-Cyanotropolone and 5-nitrotropolone

Acta Crystallographica Section C

2,001

57

5

611

613

10.1107/S0108270101002463

0.71073

MoKα

0.0616

0.0388

null

0.1191

null

1.026

null

has coordinates,has Fobs

Kubo, Kanji; Yamamoto, Emi; Mori, Akira 5-Cyanotropolone and 5-nitrotropolone Acta Crystallographica Section C 57(5) (2001) 611-613

301,798

2025-08-19

6:41:48

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2,011,968

10.221

0.002

12.325

0.003

3.7951

0.0009

97.24

0.02

98.49

0.02

67.649

0.018

436.04

0.18

296

2

296

2

null

4

P -1

-P 1

2

bis(4-pyridinium)acetylene bis(hydrogen squarate)

- C20 H12 N2 O8 -

1

0.5

GD1134

Zaman, Md. Badruz; Tomura, Masaaki; Yamashita, Yoshiro

Linear hydrogen-bonded molecular tapes in the cocrystals of squaric acid with 4,4'-dipyridylacetylene and 1,2-bis(4-pyridyl)ethylene

Acta Crystallographica Section C

2,001

57

5

621

624

10.1107/S0108270101003833

0.71069

MoKα

0.197

0.045

null

0.141

null

0.915

null

has coordinates,has Fobs

Zaman, Md. Badruz; Tomura, Masaaki; Yamashita, Yoshiro Linear hydrogen-bonded molecular tapes in the cocrystals of squaric acid with 4,4'-dipyridylacetylene and 1,2-bis(4-pyridyl)ethylene Acta Crystallographica Section C 57(5) (2001) 621-624

176,760

2020-10-21

18:00:00

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2,011,969

10.2606

0.0009

12.2942

0.0017

3.7749

0.0013

97.845

0.017

98.444

0.013

67.259

0.008

432.75

0.17

296

2

296

2

null

4

P -1

-P 1

2

1,2-bis(4-pyridinium)ethylene bis(hydrogen squarate)

- C20 H14 N2 O8 -

1

0.5

GD1134

Zaman, Md. Badruz; Tomura, Masaaki; Yamashita, Yoshiro

Linear hydrogen-bonded molecular tapes in the cocrystals of squaric acid with 4,4'-dipyridylacetylene and 1,2-bis(4-pyridyl)ethylene

Acta Crystallographica Section C

2,001

57

5

621

624

10.1107/S0108270101003833

1.54178

CuKα

0.055

0.044

null

0.133

null

1.018

null

has coordinates,has Fobs

Zaman, Md. Badruz; Tomura, Masaaki; Yamashita, Yoshiro Linear hydrogen-bonded molecular tapes in the cocrystals of squaric acid with 4,4'-dipyridylacetylene and 1,2-bis(4-pyridyl)ethylene Acta Crystallographica Section C 57(5) (2001) 621-624

176,760

2020-10-21

18:00:00

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2,011,970

10.702

0.002

10.702

0.002

8.703

0.002

90

null

90

null

120

null

863.2

0.3

10

2

10

2

null

5

P 63

P 6c

173

- H4 N O4 P Zn -

- H32 N8 O32 P8 Zn8 -

8

1.33333

GD1138

Harrison, William T. A.; Sobolev, Alexandr N.; Phillips, Mark L. F.

Hexagonal ammonium zinc phosphate, (NH~4~)ZnPO~4~, at 10K

Acta Crystallographica Section C

2,001

57

5

508

509

10.1107/S0108270101002992

0.71073

MoKα

0.0128

0.0125

null

0.0312

null

1.146

null

has coordinates,has Fobs

Harrison, William T. A.; Sobolev, Alexandr N.; Phillips, Mark L. F. Hexagonal ammonium zinc phosphate, (NH~4~)ZnPO~4~, at 10K Acta Crystallographica Section C 57(5) (2001) 508-509

176,760

2020-10-21

18:00:00

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2,011,971

12.4526

0.0004

12.6673

0.0005

12.6426

0.0005

90

null

114.39

0.03

90

null

1,816.3

0.4

150

1

150

1

null

6

P 1 21/n 1

-P 2yn

14

- C45 H23 F8 Fe N4 O -

- C90 H46 F16 Fe2 N8 O2 -

2

0.5

GG1037

Kim, Youngmee; Nam, Wonwoo; Lim, Mi Hee; Jin, Sook-Won; Lough, Alan J.; Kim, Sung-Jin

Methoxy[meso-5,10,15,20-tetrakis(2,6-difluorophenyl)porphyrinato]iron(III), [Fe(TDFPP)(OCH~3~)]

Acta Crystallographica Section C

2,001

57

5

556

557

10.1107/S0108270101003006

0.71073

MoKα

0.12

0.079

null

0.207

null

1.067

null

has coordinates,has disorder

Kim, Youngmee; Nam, Wonwoo; Lim, Mi Hee; Jin, Sook-Won; Lough, Alan J.; Kim, Sung-Jin Methoxy[meso-5,10,15,20-tetrakis(2,6-difluorophenyl)porphyrinato]iron(III), [Fe(TDFPP)(OCH~3~)] Acta Crystallographica Section C 57(5) (2001) 556-557

176,760

2020-10-21

18:00:00

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2,011,972

6.94

0.001

17.755

0.001

13.829

0.002

90

null

104.18

0.01

90

null

1,652.1

0.4

150

2

150

2

null

5

P 1 21/n 1

-P 2yn

14

protopine hydrochloride

5,6,8,14-tetrahydro-14a-hydroxy-7-methyl-1,3-benzodioxolo[5,6-a] -1,3-benzodioxolo[4,5-g]quinolizinium chloride

- C20 H20 Cl N O5 -

- C80 H80 Cl4 N4 O20 -

4

1

GG1038

Dostál, Jiří; Žák, Zdirad; Nečas, Marek; Slavík, Jiří; Potáček, Milan

Protopine hydrochloride

Acta Crystallographica Section C

2,001

57

5

651

652

10.1107/S0108270101003249

0.71073

MoKα

0.046

0.039

null

0.102

null

1.16

null

has coordinates,has Fobs

Dostál, Jiří; Žák, Zdirad; Nečas, Marek; Slavík, Jiří; Potáček, Milan Protopine hydrochloride Acta Crystallographica Section C 57(5) (2001) 651-652

301,798

2025-08-19

6:41:48

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2,011,973

6.8189

0.0002

16.1505

0.0004

9.6257

0.0003

90

null

100.761

0.0013

90

null

1,041.42

0.05

150

2

150

2

null

4

P 1 21/n 1

-P 2yn

14

Methyl 4-amino-1,3-dioxo-2,3-dihydro-6-methoxy-1H- pyrrolo[3,4-c]pyridine-7-carboxylate

- C10 H9 N3 O5 -

- C40 H36 N12 O20 -

4

1

GG1042

Low, John N.; Cobo, Justo; Garcìa, Celeste; Melguizo, Manuel; Nogueras, Manuel; Sánchez, Adolfo; Glidewell, Christopher

Methyl 4-amino-2,3-dihydro-6-methoxy-1,3-dioxo-1H-pyrrolo[3,4-c]pyridine-7-carboxylate forms hydrogen-bonded sheets built from R~2~^2^(8) and R~6~^6^(42) rings

Acta Crystallographica Section C

2,001

57

5

597

599

10.1107/S0108270101002359

0.71073

MoKα

0.052

0.041

null

0.113

null

1.05

null

has coordinates,has Fobs

Low, John N.; Cobo, Justo; Garcìa, Celeste; Melguizo, Manuel; Nogueras, Manuel; Sánchez, Adolfo; Glidewell, Christopher Methyl 4-amino-2,3-dihydro-6-methoxy-1,3-dioxo-1H-pyrrolo[3,4-c]pyridine-7-carboxylate forms hydrogen-bonded sheets built from R~2~^2^(8) and R~6~^6...

301,798

2025-08-19

6:41:48

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2,011,974

21.4179

0.0006

11.1466

0.0002

14.9649

0.0003

90

null

133.428

0.0006

90

null

2,594.61

0.1

150

2

150

2

null

4

C 1 2 1

C 2y

5

N-(2-amino-1,6-dihydro-5-nitroso-6-oxopyrimidin-4-yl)-L- isoleucine‒water (4/1)

- C20 H31 N10 O8.5 -

- C80 H124 N40 O34 -

4

1

GG1043

Low, John N.; Cannon, Debbie; Quesada, Antonio; Marchal, Antonio; Melguizo, Manuel; Nogueras, Manuel; Sánchez, Adolfo; Glidewell, Christopher

N-(2-Amino-1,6-dihydro-5-nitroso-6-oxopyrimidin-4-yl)-L-isoleucine‒water (4/1): interplay of molecular and supramolecular structures

Acta Crystallographica Section C

2,001

57

5

604

607

10.1107/S0108270101002475

0.71073

MoKα

0.06

0.042

null

0.098

null

1.04

null

has coordinates,has Fobs

Low, John N.; Cannon, Debbie; Quesada, Antonio; Marchal, Antonio; Melguizo, Manuel; Nogueras, Manuel; Sánchez, Adolfo; Glidewell, Christopher N-(2-Amino-1,6-dihydro-5-nitroso-6-oxopyrimidin-4-yl)-L-isoleucine‒water (4/1): interplay of molecular and supramolecular structures Acta Crystallographica ...

201,957

2020-10-21

18:00:00

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2,011,975

4.0413

0.0002

16.6702

0.001

14.0749

0.0008

90

null

97.183

0.001

90

null

940.77

0.09

295

2

295

2

null

5

P 1 21/n 1

-P 2yn

14

Methyl 2,4-dinitrobenzenesulfenate

- C7 H6 N2 O5 S -

- C28 H24 N8 O20 S4 -

4

1

GG1044

Cannon, Debbie; Low, John N.; McWilliam, Susan A.; Skakle, Janet M. S.; Wardell, James L.; Glidewell, Christopher

Soft C—H···O hydrogen bonds in methyl 2,4-dinitrobenzenesulfenate: sheets built from R~2~^2^(10) and R~6~^6^(42) rings

Acta Crystallographica Section C

2,001

57

5

600

603

10.1107/S0108270101002852

0.71073

MoKα

0.087

0.049

null

0.141

null

0.9

null

has coordinates,has Fobs

Cannon, Debbie; Low, John N.; McWilliam, Susan A.; Skakle, Janet M. S.; Wardell, James L.; Glidewell, Christopher Soft C—H···O hydrogen bonds in methyl 2,4-dinitrobenzenesulfenate: sheets built from R~2~^2^(10) and R~6~^6^(42) rings Acta Crystallographica Section C 57(5) (2001)...

301,798

2025-08-19

6:41:48

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2,011,976

8.8926

0.0002

10.2539

0.0002

10.85

0.0004

62.2233

0.001

82.4797

0.001

69.105

0.0014

817.03

0.04

150

2

150

2

null

5

P -1

-P 1

2

Methyl 7-hydroxy-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropteridine-6-carboxylate– dimethyl sulfoxide (1/1)

- C13 H18 N4 O6 S -

- C26 H36 N8 O12 S2 -

2

1

GG1046

Cannon, Debbie; Low, John N.; Cobo, Justo; Molina, Sebastián; Nogueras, Manuel; Sánchez, Adolfo; Glidewell, Christopher

Methyl 7-hydroxy-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropteridine-6-carboxylate–dimethyl sulfoxide (1/1) forms chains containing O—H···O and C—H···O hydrogen bonds and aromatic π–π-stacking interactions

Acta Crystallographica Section C

2,001

57

5

608

610

10.1107/S0108270101003250

0.71073

MoKα

0.061

0.045

null

0.121

null

1.05

null

has coordinates,has Fobs

Cannon, Debbie; Low, John N.; Cobo, Justo; Molina, Sebastián; Nogueras, Manuel; Sánchez, Adolfo; Glidewell, Christopher Methyl 7-hydroxy-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropteridine-6-carboxylate–dimethyl sulfoxide (1/1) forms chains containing O—H···O and C—H···O hydrogen bonds and aromatic π–π-stacking interact...

301,798

2025-08-19

6:41:48

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2,011,977

12.4228

0.0011

12.63

0.003

5.101

0.003

90

null

90

null

90

null

800.3

0.5

293

2

293

2

null

3

P b a m

-P 2 2ab

55

tribarium diantimonide oxide

- Ba3 O Sb2 -

- Ba12 O4 Sb8 -

4

0.5

IZ1006

Boss, Michael; Pickhard, Frank; Zumdick, Markus; Röhr, Caroline

Barium antimonide oxide, Ba~3~Sb~2~O

Acta Crystallographica Section C

2,001

57

5

503

504

10.1107/S0108270101002785

0.7107

MoKα

0.039

0.034

null

0.078

null

1.228

null

has coordinates,has Fobs

Boss, Michael; Pickhard, Frank; Zumdick, Markus; Röhr, Caroline Barium antimonide oxide, Ba~3~Sb~2~O Acta Crystallographica Section C 57(5) (2001) 503-504

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/2/01/19/2011977.cif $ #-------------------------------------------------------------------...

2,011,978

13.1476

0.0015

22.6558

0.0016

16.9355

0.0019

90

null

90.221

0.014

90

null

5,044.5

0.9

110

2

110

2

null

5

P 1 21 1

P 2yb

4

hexa-μ~2~-isopropoxy-1:2κ^4^O;1:3κ^4^O;1:4κ^4^O-hexaisopropoxy- 2κ^2^O,3κ^2^O,4κ^2^O-trialuminium(III)neodymium(III)

- C36 H84 Al3 Nd O12 -

- C144 H336 Al12 Nd4 O48 -

4

2

JZ1432

Moustiakimov, Marat; Kritikos, Mikael; Westin, Gunnar

Nd[Al(^i^PrO)~4~]~3~, a novel tetranuclear alkoxide forming merohedrally twinned crystals

Acta Crystallographica Section C

2,001

57

5

515

516

10.1107/S0108270101000750

0.71073

MoKα

0.039

0.031

null

0.069

null

1.034

null

has coordinates,has disorder,has Fobs

Moustiakimov, Marat; Kritikos, Mikael; Westin, Gunnar Nd[Al(^i^PrO)~4~]~3~, a novel tetranuclear alkoxide forming merohedrally twinned crystals Acta Crystallographica Section C 57(5) (2001) 515-516

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/2/01/19/2011978.cif $ #-------------------------------------------------------------------...

2,011,979

9.509

0.001

12.824

0.001

12.635

0.001

90

null

99.78

0.008

90

null

1,518.4

0.2

296.2

null

296.2

null

6

P 1 21/n 1

-P 2yn

14

- C6 H22 Co N7 O6 S -

- C24 H88 Co4 N28 O24 S4 -

4

1

JZ1442

Konno, Takumi; Yoshimura, Takashi; Hirotsu, Masakazu

(2-Aminoethanethiolato-N,S)bis(ethylenediamine-N,N')cobalt(III) dinitrate

Acta Crystallographica Section C

2,001

57

5

538

539

10.1107/S0108270101002773

0.7107

MoKα

0.039

0.031

null

0.041

null

1.11

null

has coordinates,has Fobs

Konno, Takumi; Yoshimura, Takashi; Hirotsu, Masakazu (2-Aminoethanethiolato-N,S)bis(ethylenediamine-N,N')cobalt(III) dinitrate Acta Crystallographica Section C 57(5) (2001) 538-539

176,760

2020-10-21

18:00:00

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2,011,980

6.959

0.001

8.564

0.001

18.734

0.003

90

null

90

null

90

null

1,116.5

0.3

293

2

293

2

null

4

P 21 21 21

P 2ac 2ab

19

8-Aza-1,3dideaza-2'-deoxyadenosine

4-amino-1-(2-deoxy-β-D-erythro-pentofuranosyl) -1H-benzotriazole

- C11 H14 N4 O3 -

- C44 H56 N16 O12 -

4

1

JZ1443

Seela, Frank; He, Yang; Reuter, Hans; Heithoff, Eva-Maria

The high-anti conformation of 8-aza-1,3-dideaza-2'-deoxyadenosine

Acta Crystallographica Section C

2,001

57

5

660

662

10.1107/S0108270101004152

0.71073

MoKα

0.0455

0.0412

null

0.1126

null

1.098

null

has coordinates,has disorder

Seela, Frank; He, Yang; Reuter, Hans; Heithoff, Eva-Maria The high-anti conformation of 8-aza-1,3-dideaza-2'-deoxyadenosine Acta Crystallographica Section C 57(5) (2001) 660-662

301,798

2025-08-19

6:41:48

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2,011,981

16.116

0.0001

12.8286

0.0002

17.593

0.0003

90

null

90

null

90

null

3,637.28

0.09

293

2

293

2

null

6

P b c a

-P 2ac 2ab

61

Diphenyldithiophosphinato-tetracarbonylrhenium(I)

- C16 H10 O4 P Re S2 -

- C128 H80 O32 P8 Re8 S16 -

8

1

JZ1448

García Fontán, Soledad; Lamas Castro, Elvira; Rodríguez Seoane, Pilar; Vázquez-López, Ezequiel M.

Tetracarbonyl(diphenyldithiophosphinato-S,S')rhenium(I)

Acta Crystallographica Section C

2,001

57

5

532

533

10.1107/S0108270101002190

0.71073

MoKα

0.0592

0.0412

null

0.0976

null

0.977

null

has coordinates,has Fobs

García Fontán, Soledad; Lamas Castro, Elvira; Rodríguez Seoane, Pilar; Vázquez-López, Ezequiel M. Tetracarbonyl(diphenyldithiophosphinato-S,S')rhenium(I) Acta Crystallographica Section C 57(5) (2001) 532-533

176,760

2020-10-21

18:00:00

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2,011,982

8.3162

0.0002

11.2384

0.0003

20.408

0.0005

90

null

90

null

90

null

1,907.35

0.08

293

2

293

2

null

5

P 21 21 21

P 2ac 2ab

19

N-(1-Phenylsulfonylindol-2-yl-methyl)-N-methylaniline

- C22 H20 N2 O2 S -

- C88 H80 N8 O8 S4 -

4

1

NA1496

Sankaranarayanan, R.; Velmurugan, D.; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Narasinga Rao, S.; Kannadasan, S.; Srinivasan, P.C.

N-Methyl-N-(1-phenylsulfonylindol-2-ylmethyl)aniline

Acta Crystallographica Section C

2,001

57

5

569

571

10.1107/S010827010100097X

0.71073

MoKα

0.0644

0.0405

null

0.1186

null

0.91

null

has coordinates,has Fobs

Sankaranarayanan, R.; Velmurugan, D.; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Narasinga Rao, S.; Kannadasan, S.; Srinivasan, P.C. N-Methyl-N-(1-phenylsulfonylindol-2-ylmethyl)aniline Acta Crystallographica Section C 57(5) (2001) 569-571

301,798

2025-08-19

6:41:48

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2,011,983

10.505

0.003

14.213

0.002

18.822

0.003

90

null

92.77

0.02

90

null

2,807

1

293

2

293

2

null

6

C 1 2/c 1

-C 2yc

15

trans diaqua [tetrakis(3,5-dimethylopyrazole- N^2^)] nickel (II) dichloride

- C20 H36 Cl2 N8 Ni O2 -

- C80 H144 Cl8 N32 Ni4 O8 -

4

0.5

NA1497

Małecka, Magdalena; Rybarczyk, Agnieszka; Olszak, Tomasz A.; Malinowska, Katarzyna; Ochocki, Justyn

trans-Diaquatetrakis(3,5-dimethylpyrazole-N^2^)nickel(II) dichloride

Acta Crystallographica Section C

2,001

57

5

513

514

10.1107/S0108270100020746

0.71069

MoKα

0.1222

0.0567

null

0.1706

null

1.05

null

has coordinates,has Fobs

Małecka, Magdalena; Rybarczyk, Agnieszka; Olszak, Tomasz A.; Malinowska, Katarzyna; Ochocki, Justyn trans-Diaquatetrakis(3,5-dimethylpyrazole-N^2^)nickel(II) dichloride Acta Crystallographica Section C 57(5) (2001) 513-514

301,798

2025-08-19

6:41:48

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2,011,984

11.1188

0.0001

7.6413

0.0001

27.4773

0.0001

90

null

99.065

0.001

90

null

2,305.37

0.04

293

2

293

2

null

6

P 1 21/c 1

-P 2ybc

14

3,3'-[2,2'-(ethylenedioxy)dibenzylidene]bis(S-methyl dithiocarbazate) nickel(II)

- C20 H20 N4 Ni O2 S4 -

- C80 H80 N16 Ni4 O8 S16 -

4

1

NA1503

Wu, Jie-Ying; Chantrapromma, Suchada; Chen, Dong-Wen; Tian, Yu-Peng; Yang, Ping; Fun, Hoong-Kun

{3,3'-[2,2'-(Ethylenedioxy)dibenzylidene]bis(S-methyl dithiocarbazate)}nickel(II)

Acta Crystallographica Section C

2,001

57

5

523

525

10.1107/S0108270101001585

0.71073

MoKα

0.044

0.033

null

0.08

null

1.05

null

has coordinates,has Fobs

Wu, Jie-Ying; Chantrapromma, Suchada; Chen, Dong-Wen; Tian, Yu-Peng; Yang, Ping; Fun, Hoong-Kun {3,3'-[2,2'-(Ethylenedioxy)dibenzylidene]bis(S-methyl dithiocarbazate)}nickel(II) Acta Crystallographica Section C 57(5) (2001) 523-525

176,760

2020-10-21

18:00:00

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2,011,985

7.444

0.0004

7.4642

0.0004

13.5136

0.0006

80.3701

0.0017

76.0568

0.0018

68.6413

0.0014

676.06

0.06

150

2

150

null

5

P -1

-P 1

2

Aqua-[N-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)glycyl- glycinato]potassium

- C9 H13 K N6 O6 -

- C18 H26 K2 N12 O12 -

2

1

NA1505

Low, John N.; Arranz, Paloma; Cobo, Justo; Fontecha, M. Angeles; Godino, M. Luz; López, Rafael; Glidewell, Christopher

[N-(6-Amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)glycylglycinato]aquapotassium, a three-dimensional coordination polymer

Acta Crystallographica Section C

2,001

57

5

534

537

10.1107/S0108270101002670

0.71073

MoKα

0.067

0.045

null

0.113

null

1.072

null

has coordinates,has disorder

Low, John N.; Arranz, Paloma; Cobo, Justo; Fontecha, M. Angeles; Godino, M. Luz; López, Rafael; Glidewell, Christopher [N-(6-Amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)glycylglycinato]aquapotassium, a three-dimensional coordination polymer Acta Crystallographica Section C 57(5) (2001) 534-537

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/2/01/19/2011985.cif $ #-------------------------------------------------------------------...

2,011,986

9.555

0.002

6.287

0.002

17.295

0.002

90

null

99.99

0.01

90

null

1,023.2

0.4

293

null

293

2

null

4

P 1 21/n 1

-P 2yn

14

trans-stilbene - 2,2'-(2,3,5,6-tetrafluorobenzene-1,4-diylidene)- propanedinitrile (1/1)

- C26 H12 F4 N4 -

- C52 H24 F8 N8 -

2

0.5

OA1110

Sato, Akane; Okada, Mizuho; Saito, Kazuya; Sorai, Michio

The charge-transfer complex trans-STB–TCNQF~4~

Acta Crystallographica Section C

2,001

57

5

564

565

10.1107/S0108270100019454

0.71073

MoKα

0.087

0.04

null

0.1238

null

1.029

2,011,987

null

has coordinates

Sato, Akane; Okada, Mizuho; Saito, Kazuya; Sorai, Michio The charge-transfer complex trans-STB–TCNQF~4~ Acta Crystallographica Section C 57(5) (2001) 564-565

301,798

2025-08-19

6:41:49

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2,011,987

9.555

0.002

6.287

0.002

17.295

0.002

90

null

99.99

0.01

90

null

1,023.2

0.4

293

null

293

2

null

4

P 1 21/n 1

-P 2yn

14

trans-stilbene - 2,2'-(2,3,5,6-tetrafluorobenzene-1,4-diylidene)- propanedinitrile (1/1)

- C26 H12 F4 N4 -

- C52 H24 F8 N8 -

2

0.5

Sato, Akane; Okada, Mizuho; Saito, Kazuya; Sorai, Michio

The charge-transfer complex trans-STB–TCNQF4

Acta Crystallographica Section C Crystal Structure Communications

2,001

57

5

564

565

10.1107/S0108270100019454

0.71073

MoKα

0.087

0.04

null

0.1238

null

1.029

null

has coordinates

Sato, Akane; Okada, Mizuho; Saito, Kazuya; Sorai, Michio The charge-transfer complex trans-STB–TCNQF4 Acta Crystallographica Section C Crystal Structure Communications 57(5) (2001) 564-565

301,798

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2,011,988

4.8574

0.001

7.3046

0.001

23.1846

0.001

91.61

0.01

95.66

0.01

90.99

0.01

818.1

0.2

293

2

293

2

null

4

P -1

-P 1

2

lead heptanoate

catena-poly[[(heptanoato-O,O')lead(II)]-μ-heptanoato-O,O':O]

- C14 H26 O4 Pb -

- C28 H52 O8 Pb2 -

2

1

Lacouture, Françoise; François, Michel; Didierjean, Claude; Rivera, Jean-Pierre; Rocca, Emmanuel; Steinmetz, Jean

Anhydrous lead(II) heptanoate

Acta Crystallographica Section C Crystal Structure Communications

2,001

57

5

530

531

10.1107/S0108270101001615

0.71073

MoKα

0.053

0.042

null

0.132

null

1.034

null

has coordinates

Lacouture, Françoise; François, Michel; Didierjean, Claude; Rivera, Jean-Pierre; Rocca, Emmanuel; Steinmetz, Jean Anhydrous lead(II) heptanoate Acta Crystallographica Section C Crystal Structure Communications 57(5) (2001) 530-531

301,798

2025-08-19

6:41:49

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2,011,989

12.5921

0.0015

12.5921

0.0015

73.721

0.007

90

null

90

null

120

null

10,123

2

293

2

293

2

null

7

R -3 c :H

-R 3 2"c

167

Triaqua-hexakis-(μ-betaine)-μ~3~-oxo- triiron(III) trichloride bis(tetrachloromanganate) hexahydrate

- C30 H84 Cl11 Fe3 Mn2 N6 O22 -

- C180 H504 Cl66 Fe18 Mn12 N36 O132 -

6

0.166667

SK1445

Ramos Silva, M.; Matos Beja, A.; Paixão, J. A.; Alte da Veiga, L.; Martin-Gil, J.

An oxo-centred trinuclear Fe^III^ complex: triaquahexakis(μ~2~-betaine-O:O')-μ~3~-oxo-triiron(III) bis(tetrachloromanganate) trichloride hexahydrate

Acta Crystallographica Section C

2,001

57

5

542

545

10.1107/S0108270101002876

0.71073

MoKα

0.1193

0.0399

null

0.1121

null

0.996

null

has coordinates,has Fobs

Ramos Silva, M.; Matos Beja, A.; Paixão, J. A.; Alte da Veiga, L.; Martin-Gil, J. An oxo-centred trinuclear Fe^III^ complex: triaquahexakis(μ~2~-betaine-O:O')-μ~3~-oxo-triiron(III) bis(tetrachloromanganate) trichloride hexahydrate Acta Crystallographica Section C 57(5) (2001) 542-545

176,760

2020-10-21

18:00:00

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2,011,990

10.69

0.001

12.822

0.003

16.485

0.002

85.24

0.01

71.24

0.01

85.87

0.01

2,129.7

0.6

293

2

293

2

null

5

P -1

-P 1

2

tetrakis(benzoato-O,O')bis(2,6-diaminopyridine-N)dicopper(II)acetonitrile solvat

- C42 H40 Cu2 N8 O8 -

- C84 H80 Cu4 N16 O16 -

2

1

SK1448

Lah, Nina; Giester, Gerald; Šegedin, Primož; Murn, Anica; Podlipnik, Katja; Leban, Ivan

Two dimeric Cu^II^ benzoate derivatives solvated with acetonitrile

Acta Crystallographica Section C

2,001

57

5

546

548

10.1107/S0108270101003183

0.71073

MoKα

0.1466

0.056

null

0.154

null

0.991

null

has coordinates,has Fobs

Lah, Nina; Giester, Gerald; Šegedin, Primož; Murn, Anica; Podlipnik, Katja; Leban, Ivan Two dimeric Cu^II^ benzoate derivatives solvated with acetonitrile Acta Crystallographica Section C 57(5) (2001) 546-548

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$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/2/01/19/2011990.cif $ #-------------------------------------------------------------------...

2,011,991

9.875

0.001

10.707

0.001

18.046

0.002

75.86

0.01

79.69

0.01

68.28

0.01

1,710.5

0.3

150

2

150

2

null

5

P -1

-P 1

2

tetrakis(ν-benzoato)bis(acetonitrile)dicopper(II) 1.5 acetonitrile solvat

- C35 H30.5 Cu2 N3.5 O8 -

- C70 H61 Cu4 N7 O16 -

1

0.5

SK1448

Lah, Nina; Giester, Gerald; Šegedin, Primož; Murn, Anica; Podlipnik, Katja; Leban, Ivan

Two dimeric Cu^II^ benzoate derivatives solvated with acetonitrile

Acta Crystallographica Section C

2,001

57

5

546

548

10.1107/S0108270101003183

0.71073

MoKα

0.0299

0.0249

null

0.0794

null

1.113

null

has coordinates,has disorder,has Fobs

Lah, Nina; Giester, Gerald; Šegedin, Primož; Murn, Anica; Podlipnik, Katja; Leban, Ivan Two dimeric Cu^II^ benzoate derivatives solvated with acetonitrile Acta Crystallographica Section C 57(5) (2001) 546-548

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/2/01/19/2011991.cif $ #-------------------------------------------------------------------...

2,011,992

11.6335

0.0001

5.6309

0.0001

14.8578

0.0002

90

null

121.091

0.001

90

null

833.48

0.02

293

2

293

2

null

5

P 1 c 1

P -2yc

7

Catena-[m-1,2-bis(4-pyridyl)ethane-bis-thiocyanato)Lead(II)]

- C14 H12 N4 Pb S2 -

- C28 H24 N8 Pb2 S4 -

2

1

SK1453

Niu, Yun-Yin; Hou, Hong-Wei; Zhang, Qian-Feng; Xin, Xin-Quan; Fun, Hoong-Kun; Chantrapromma, Suchada; Razak, Ibrahim Abdul

catena-Poly[[bis(thiocyanato-N)lead(II)]-μ-1,2-bis(4-pyridyl)ethane-N:N']

Acta Crystallographica Section C

2,001

57

5

526

527

10.1107/S0108270101002888

0.71073

MoKα

0.0398

0.0375

null

0.0885

null

0.923

null

has coordinates,has Fobs

Niu, Yun-Yin; Hou, Hong-Wei; Zhang, Qian-Feng; Xin, Xin-Quan; Fun, Hoong-Kun; Chantrapromma, Suchada; Razak, Ibrahim Abdul catena-Poly[[bis(thiocyanato-N)lead(II)]-μ-1,2-bis(4-pyridyl)ethane-N:N'] Acta Crystallographica Section C 57(5) (2001) 526-527

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/2/01/19/2011992.cif $ #-------------------------------------------------------------------...

2,011,993

13.5686

0.0009

16.0982

0.0018

19.615

0.003

90

null

91.086

0.012

90

null

4,283.7

0.9

204

2

204

2

null

3

P 1 21/c 1

-P 2ybc

14

dimethyl 2,3-bis(tricyclo[3.3.1.1^3,7^]dec-2-ylidene)butanedioate

- C26 H34 O4 -

- C208 H272 O32 -

8

2

SK1459

Bats, Jan W.; Grundl, Marc A.; Hashmi, A. Stephen K.

Pseudosymmetry and phase transition in dimethyl 2,3-bis(tricyclo[3.3.1.1^3,7^]dec-2-ylidene)butanedioate

Acta Crystallographica Section C

2,001

57

5

653

656

10.1107/S0108270101003845

0.71073

MoKα

0.101

0.059

null

0.159

null

1.138

null

has coordinates,has Fobs

Bats, Jan W.; Grundl, Marc A.; Hashmi, A. Stephen K. Pseudosymmetry and phase transition in dimethyl 2,3-bis(tricyclo[3.3.1.1^3,7^]dec-2-ylidene)butanedioate Acta Crystallographica Section C 57(5) (2001) 653-656

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$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/2/01/19/2011993.cif $ #-------------------------------------------------------------------...

2,011,994

13.5304

0.0015

16.005

0.002

39.089

0.007

90

null

91.147

0.012

90

null

8,463

2

142

2

142

2

null

3

P 1 21/n 1

-P 2yn

14

dimethyl 2,3-bis(tricyclo[3.3.1.1^3,7^]dec-2-ylidene)butanedioate

- C26 H34 O4 -

- C416 H544 O64 -

16

4

SK1459

Bats, Jan W.; Grundl, Marc A.; Hashmi, A. Stephen K.

Pseudosymmetry and phase transition in dimethyl 2,3-bis(tricyclo[3.3.1.1^3,7^]dec-2-ylidene)butanedioate

Acta Crystallographica Section C

2,001

57

5

653

656

10.1107/S0108270101003845

0.71073

MoKα

0.176

0.1

null

0.246

null

1.156

null

has coordinates,has Fobs

Bats, Jan W.; Grundl, Marc A.; Hashmi, A. Stephen K. Pseudosymmetry and phase transition in dimethyl 2,3-bis(tricyclo[3.3.1.1^3,7^]dec-2-ylidene)butanedioate Acta Crystallographica Section C 57(5) (2001) 653-656

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$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/2/01/19/2011994.cif $ #-------------------------------------------------------------------...

2,011,995

5.699

0.002

10.347

0.003

11.327

0.004

67.51

0.02

80.38

0.03

80.35

0.03

604.5

0.4

173

1

173

1

null

4

P -1

-P 1

2

6-benzyl-3,3-dimethylmorpholine-2,5-dione

- C13 H15 N O3 -

- C26 H30 N2 O6 -

2

1

SK1460

Linden, Anthony; Ghorbani-Salman Pour, Fatemeh; Breitenmoser, Roland A.; Heimgartner, Heinz

(±)-6-Benzyl-3,3-dimethylmorpholine-2,5-dione and its 5-monothio and 2,5-dithio derivatives

Acta Crystallographica Section C

2,001

57

5

634

637

10.1107/S0108270101003195

0.71069

MoKα

0.0913

0.0469

null

0.1302

null

1.018

null

has coordinates,has Fobs

Linden, Anthony; Ghorbani-Salman Pour, Fatemeh; Breitenmoser, Roland A.; Heimgartner, Heinz (±)-6-Benzyl-3,3-dimethylmorpholine-2,5-dione and its 5-monothio and 2,5-dithio derivatives Acta Crystallographica Section C 57(5) (2001) 634-637

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$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/2/01/19/2011995.cif $ #-------------------------------------------------------------------...

2,011,996

13.901

0.004

5.843

0.006

16.559

0.005

90

null

112.7

0.02

90

null

1,240.8

1.4

173

1

173

1

null

5

P 1 21/n 1

-P 2yn

14

6-benzyl-3,3-dimethyl-5-thioxomorpholin-2-one

- C13 H15 N O2 S -

- C52 H60 N4 O8 S4 -

4

1

SK1460

Linden, Anthony; Ghorbani-Salman Pour, Fatemeh; Breitenmoser, Roland A.; Heimgartner, Heinz

(±)-6-Benzyl-3,3-dimethylmorpholine-2,5-dione and its 5-monothio and 2,5-dithio derivatives

Acta Crystallographica Section C

2,001

57

5

634

637

10.1107/S0108270101003195

0.71069

MoKα

0.0988

0.0524

null

0.151

null

1.04

null

has coordinates,has Fobs

Linden, Anthony; Ghorbani-Salman Pour, Fatemeh; Breitenmoser, Roland A.; Heimgartner, Heinz (±)-6-Benzyl-3,3-dimethylmorpholine-2,5-dione and its 5-monothio and 2,5-dithio derivatives Acta Crystallographica Section C 57(5) (2001) 634-637

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$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/2/01/19/2011996.cif $ #-------------------------------------------------------------------...

2,011,997

8.6915

0.0013

11.896

0.003

13.661

0.004

75.62

0.02

76.211

0.016

84.971

0.018

1,328.2

0.6

173

1

173

1

null

5

P -1

-P 1

2

6-benzyl-3,3-dimethylmorpholine-2,5-dithione

- C13 H15 N O S2 -

- C52 H60 N4 O4 S8 -

4

2

SK1460

Linden, Anthony; Ghorbani-Salman Pour, Fatemeh; Breitenmoser, Roland A.; Heimgartner, Heinz

(±)-6-Benzyl-3,3-dimethylmorpholine-2,5-dione and its 5-monothio and 2,5-dithio derivatives

Acta Crystallographica Section C

2,001

57

5

634

637

10.1107/S0108270101003195

0.71069

MoKα

0.0802

0.0487

null

0.1421

null

1.051

null

has coordinates,has Fobs

Linden, Anthony; Ghorbani-Salman Pour, Fatemeh; Breitenmoser, Roland A.; Heimgartner, Heinz (±)-6-Benzyl-3,3-dimethylmorpholine-2,5-dione and its 5-monothio and 2,5-dithio derivatives Acta Crystallographica Section C 57(5) (2001) 634-637

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$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/2/01/19/2011997.cif $ #-------------------------------------------------------------------...

2,011,998

34.792

0.005

10.0951

0.0017

11.6821

0.0017

90

null

102.962

0.012

90

null

3,998.5

1.1

296

null

296

null

3

C 1 2/c 1

-C 2yc

15

1,1-Di-9-fluorenylethanol

- C28 H22 O -

- C224 H176 O8 -

8

1

SX1118

Meyers, Cal Y.; Lutfi, Hisham G.; Hou, Yuqing; Robinson, Paul D.

1,1-Di(9-fluorenyl)ethanol, a by-product from the acetylation of 9-fluorenyllithium

Acta Crystallographica Section C

2,001

57

5

580

581

10.1107/S0108270101001846

0.71069

MoKα

0.177

0.037

null

0.138

null

0.968

null

has coordinates

Meyers, Cal Y.; Lutfi, Hisham G.; Hou, Yuqing; Robinson, Paul D. 1,1-Di(9-fluorenyl)ethanol, a by-product from the acetylation of 9-fluorenyllithium Acta Crystallographica Section C 57(5) (2001) 580-581

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$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/2/01/19/2011998.cif $ #-------------------------------------------------------------------...

2,011,999

13.211

0.003

19.044

0.003

9.5505

0.0012

98.852

0.011

108.115

0.014

74.565

0.014

2,194.7

0.7

296

null

296

null

3

P -1

-P 1

2

1,1-Di(9-fluorenyl)ethyl Acetate

- C30 H24 O2 -

- C120 H96 O8 -

4

2

SX1121

Robinson, Paul D.; Lutfi, Hisham G.; Hou, Yuqing; Meyers, Cal Y.

1,1-Di(9-fluorenyl)ethyl acetate, a by-product from the acetylation of 9-fluorenyllithium

Acta Crystallographica Section C

2,001

57

5

582

584

10.1107/S0108270101001858

0.71069

MoKα

0.21

0.043

null

0.14

null

0.972

null

has coordinates

Robinson, Paul D.; Lutfi, Hisham G.; Hou, Yuqing; Meyers, Cal Y. 1,1-Di(9-fluorenyl)ethyl acetate, a by-product from the acetylation of 9-fluorenyllithium Acta Crystallographica Section C 57(5) (2001) 582-584

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$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/2/01/19/2011999.cif $ #-------------------------------------------------------------------...

2,012,000

7.595

0.0007

9.9731

0.0009

13.7266

0.0009

90

null

98.967

0.006

90

null

1,027.02

0.15

293

2

293

2

null

3

P 1 21 1

P 2yb

4

16α,17α-Epoxy-20-oxopregn-5-en-3β-yl acetate

- C23 H32 O4 -

- C46 H64 O8 -

2

1

SX1123

Andrade, L. C. R.; Paixão, J. A.; de Almeida, M. J. M.; Martins, R. M. L. M.; Soares, H. I. M.; Morais, G. J. R.; Moreno, M. J. S. M.; Sá e Melo, M. L.; Campos Neves, A. S.

16α,17α-Epoxy-20-oxopregn-5-en-3β-yl acetate

Acta Crystallographica Section C

2,001

57

5

587

589

10.1107/S0108270101002311

0.71073

MoKα

0.059

0.037

null

0.101

null

1.022

null

has coordinates,has Fobs

Andrade, L. C. R.; Paixão, J. A.; de Almeida, M. J. M.; Martins, R. M. L. M.; Soares, H. I. M.; Morais, G. J. R.; Moreno, M. J. S. M.; Sá e Melo, M. L.; Campos Neves, A. S. 16α,17α-Epoxy-20-oxopregn-5-en-3β-yl acetate Acta Crystallographica Section C 57(5) (2001) 587-589

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$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/2/01/20/2012000.cif $ #-------------------------------------------------------------------...

2,012,001

12.0263

0.0017

6.0321

0.0009

5.829

0.002

90

0.12

90

0.03

90

0.03

422.86

0.17

293

2

293

2

null

4

P n a 21

P 2c -2n

33

DL-alanine

DL-Alanine

- C3 H7 N O2 -

- C12 H28 N4 O8 -

4

1

VJ1132

Subha Nandhini, M.; Krishnakumar, R.V.; Natarajan, S.

DL-Alanine

Acta Crystallographica Section C

2,001

57

5

614

615

10.1107/S010827010100261X

1.5418

CuKα

0.0254

0.0252

null

0.0719

null

1.089

null

has coordinates

Subha Nandhini, M.; Krishnakumar, R.V.; Natarajan, S. DL-Alanine Acta Crystallographica Section C 57(5) (2001) 614-615

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$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/2/01/20/2012001.cif $ #-------------------------------------------------------------------...

2,012,002

7.6058

0.0008

10.378

0.0002

10.695

0.001

90

null

119.635

0.007

90

null

733.76

0.12

293

2

293

3

null

4

P 1 21/c 1

-P 2ybc

14

meso-N,N'-oxalyl-bis-valine

- C12 H20 N2 O6 -

- C24 H40 N4 O12 -

2

0.5

AV1074

Perić, Berislav; Kojić-Prodić, Biserka; Makarević, Janja; Jokić, Milan; Žinić, Mladen

meso-N,N'-Oxalyldivaline

Acta Crystallographica Section C

2,001

57

6

747

748

10.1107/S0108270101004590

1.54178

CuKα

0.0841

0.0626

null

0.1944

null

1.06

null

has coordinates,has Fobs

Perić, Berislav; Kojić-Prodić, Biserka; Makarević, Janja; Jokić, Milan; Žinić, Mladen meso-N,N'-Oxalyldivaline Acta Crystallographica Section C 57(6) (2001) 747-748

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$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/2/01/20/2012002.cif $ #-------------------------------------------------------------------...

2,012,003

7.8579

0.0001

23.7627

0.0005

15.3423

0.0002

90

null

94.765

0.001

90

null

2,854.89

0.08

293

2

293

2

null

3

P 1 21/c 1

-P 2ybc

14

3-amino-2,4 dicyano-5-ethyl-4'- methyl Biphenyl

- C17 H15 N3 -

- C136 H120 N24 -

8

2

BJ1022

Subbiah Pandi, A.; Velmurugan, D.; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Raghukumar, V.; Ramakrishnan, V.T.

3-Amino-4'-methyl-5-ethylbiphenyl-2,4-dicarbonitrile and 3-amino-4'-(N,N-diethylamino)-5-ethylbiphenyl-2,4-dicarbonitrile

Acta Crystallographica Section C

2,001

57

6

723

725

10.1107/S0108270101002128

0.71073

MoKα

0.162

0.0667

null

0.1733

null

0.97

null

has coordinates,has Fobs

Subbiah Pandi, A.; Velmurugan, D.; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Raghukumar, V.; Ramakrishnan, V.T. 3-Amino-4'-methyl-5-ethylbiphenyl-2,4-dicarbonitrile and 3-amino-4'-(N,N-diethylamino)-5-ethylbiphenyl-2,4-dicarbonitrile Acta Crystallographica Section C 57(6) (2001) 723-725

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$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/2/01/20/2012003.cif $ #-------------------------------------------------------------------...

2,012,004

10.8918

0.0002

10.3458

0.0002

16.5707

0.0002

90

null

101.496

0.001

90

null

1,829.8

0.05

293

2

293

2

null

3

P 1 21/c 1

-P 2ybc

14

3-amino-2,4 dicyano-5-ethyl-4'- N,N diethyl amino Biphenyl

- C20 H22 N4 -

- C80 H88 N16 -

4

1

BJ1022

Subbiah Pandi, A.; Velmurugan, D.; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Raghukumar, V.; Ramakrishnan, V.T.

3-Amino-4'-methyl-5-ethylbiphenyl-2,4-dicarbonitrile and 3-amino-4'-(N,N-diethylamino)-5-ethylbiphenyl-2,4-dicarbonitrile

Acta Crystallographica Section C

2,001

57

6

723

725

10.1107/S0108270101002128

0.71073

MoKα

0.1397

0.0605

null

0.1449

null

1

null

has coordinates,has Fobs

Subbiah Pandi, A.; Velmurugan, D.; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Raghukumar, V.; Ramakrishnan, V.T. 3-Amino-4'-methyl-5-ethylbiphenyl-2,4-dicarbonitrile and 3-amino-4'-(N,N-diethylamino)-5-ethylbiphenyl-2,4-dicarbonitrile Acta Crystallographica Section C 57(6) (2001) 723-725

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$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/2/01/20/2012004.cif $ #-------------------------------------------------------------------...

2,012,005

8.3887

0.0006

6.0883

0.0005

16.8795

0.001

90

null

90

null

90

null

862.09

0.11

298

2

298

2

null

4

P c a 21

P 2c -2ac

29

Aqua isophthalato zinc(II)

poly[[aquazinc(II)]-μ-benzene-1,3-dicarboxylato]

- C8 H6 O5 Zn -

- C32 H24 O20 Zn4 -

4

1

BK1593

Otto, Thomas J.; Wheeler, Kraig A.

Aqua(benzene-1,3-dicarboxylato)zinc(II)

Acta Crystallographica Section C

2,001

57

6

704

705

10.1107/S0108270101004772

0.71073

MoKα

0.037

0.034

null

0.085

null

1.18

null

has coordinates,has Fobs

Otto, Thomas J.; Wheeler, Kraig A. Aqua(benzene-1,3-dicarboxylato)zinc(II) Acta Crystallographica Section C 57(6) (2001) 704-705

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/2/01/20/2012005.cif $ #-------------------------------------------------------------------...

2,012,006

7.2662

0.0003

5.4568

0.0005

5.7092

0.0006

97.596

0.002

91.83

0.002

103.493

0.002

217.73

0.03

100

2

100

2

null

5

P -1

-P 1

2

chromous hydrazine sulfate

Dihydraziniumchromium(II) sulfate

- Cr H10 N4 O8 S2 -

1

0.5

BM1427

Parkins, Adrian W.; Prince, Paul D.; Smith, Robert A. L.; Steed, Jonathan W.

Chromous hydrazine sulfate

Acta Crystallographica Section C

2,001

57

6

670

671

10.1107/S0108270101000919

0.71073

MoKα

0.027

0.025

null

0.074

null

1.178

null

has coordinates

Parkins, Adrian W.; Prince, Paul D.; Smith, Robert A. L.; Steed, Jonathan W. Chromous hydrazine sulfate Acta Crystallographica Section C 57(6) (2001) 670-671

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/2/01/20/2012006.cif $ #-------------------------------------------------------------------...

2,012,007

13.601

0.003

10.981

0.003

17.973

0.004

90

null

102.598

0.006

90

null

2,619.7

1.1

301

2

301

2

null

7

C 1 2 1

C 2y

5

- C27 H25 F Mo N O4 P -

- C108 H100 F4 Mo4 N4 O16 P4 -

4

1

BM1444

McElroy, Liam; Nieuwenhuyzen, Mark; Saunders, Graham C.

cis-Tetracarbonyl[(4-fluorophenyl)diphenylphosphine-P](piperidine-N)molybdenum(0)

Acta Crystallographica Section C

2,001

57

6

678

679

10.1107/S0108270101003614

0.71073

MoKα

0.0392

0.0331

null

0.0675

null

1

null

has coordinates,has disorder,has Fobs

McElroy, Liam; Nieuwenhuyzen, Mark; Saunders, Graham C. cis-Tetracarbonyl[(4-fluorophenyl)diphenylphosphine-P](piperidine-N)molybdenum(0) Acta Crystallographica Section C 57(6) (2001) 678-679

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$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/2/01/20/2012007.cif $ #-------------------------------------------------------------------...

2,012,008

13.0758

0.0002

18.3961

0.0003

13.0405

0.0002

90

null

104.694

0.0012

90

null

3,034.22

0.08

150

2

150

2

null

6

P 1 21/c 1

-P 2ybc

14

Bis(hydridotris-{3-cyclohexylpyrazol-1-yl}borato)copper(II) bis(dichloromethane) solvate

- C56 H84 B2 Cl4 Cu N12 -

- C112 H168 B4 Cl8 Cu2 N24 -

2

0.5

BM1451

Halcrow, Malcolm A.; Kilner, Colin A.; Thornton-Pett, Mark

Bis[tris(3-cyclohexylpyrazol-1-yl)hydridoborato]copper(II) dichloromethane disolvate

Acta Crystallographica Section C

2,001

57

6

711

713

10.1107/S0108270101005510

0.71073

MoKα

0.0722

0.0578

null

0.1726

null

1.037

null

has coordinates,has disorder,has Fobs

Halcrow, Malcolm A.; Kilner, Colin A.; Thornton-Pett, Mark Bis[tris(3-cyclohexylpyrazol-1-yl)hydridoborato]copper(II) dichloromethane disolvate Acta Crystallographica Section C 57(6) (2001) 711-713

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/2/01/20/2012008.cif $ #-------------------------------------------------------------------...

2,012,009

14.2774

0.0007

6.6398

0.0004

10.2465

0.0006

90

null

122.224

0.001

90

null

821.74

0.08

293

null

293

null

3

C 1 2/c 1

-C 2yc

15

Lutetium silicate

Dilutetium silicon pentaoxide

- Lu2 O5 Si -

- Lu16 O40 Si8 -

8

1

BR1287

Gustafsson, T.; Klintenberg, M.; Derenzo, S. E.; Weber, M. J.; Thomas, J. O.

Lu~2~SiO~5~ by single-crystal X-ray and neutron diffraction

Acta Crystallographica Section C

2,001

57

6

668

669

10.1107/S0108270101005352

neutron

1.207

neutron

0.035

null

0.078

null

0.078

null

2.91

null

has coordinates,has Fobs

Gustafsson, T.; Klintenberg, M.; Derenzo, S. E.; Weber, M. J.; Thomas, J. O. Lu~2~SiO~5~ by single-crystal X-ray and neutron diffraction Acta Crystallographica Section C 57(6) (2001) 668-669

190,524

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-01-14 23:12:24 +0200 (Sat, 14 Jan 2017) $ #$Revision: 190524 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/20/2012009.cif $ #-------------------------------------------------------------------...

2,012,010

9.8354

0.0001

7.5648

0.0001

31.1172

0.0004

90

null

94.4628

0.0004

90

null

2,308.19

0.05

123

2

123

2

null

5

P 1 21/c 1

-P 2ybc

14

4,7-diphenyl-1,10-phenanthrolinetetracarbonylmolybdenum

- C28 H16 Mo N2 O4 -

- C112 H64 Mo4 N8 O16 -

4

1

BR1317

Xie, Xiang-Jin; Jin, Xiang-Lin; Tang, Ka-Luo

A molybdenum complex with 4,7-diphenyl-1,10-phenanthroline

Acta Crystallographica Section C

2,001

57

6

696

697

10.1107/S0108270101004164

0.71073

MoKα

0.0381

0.0233

null

0.0536

null

0.931

null

has coordinates,has Fobs

Xie, Xiang-Jin; Jin, Xiang-Lin; Tang, Ka-Luo A molybdenum complex with 4,7-diphenyl-1,10-phenanthroline Acta Crystallographica Section C 57(6) (2001) 696-697

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/2/01/20/2012010.cif $ #-------------------------------------------------------------------...

2,012,011

5.0976

0.0003

5.0976

0.0003

8.3441

0.0004

90

null

90

null

120

null

187.77

0.02

593

null

593

null

3

P 63 m c

P 6c -2c

186

- Al O4 P -

- Al2 O8 P2 -

2

0.166667

Graetsch, Heribert A.

Hexagonal high-temperature form of AlPO~4~ tridymite, from X-ray powder data

Acta Crystallographica, Section C

2,001

57

665

667

10.1107/S0108270101005133

null

has coordinates

Graetsch, Heribert A. Hexagonal high-temperature form of AlPO~4~ tridymite, from X-ray powder data Acta Crystallographica, Section C 57 (2001) 665-667

277,836

2022-09-14

17:02:02

#------------------------------------------------------------------------------ #$Date: 2022-09-14 20:01:49 +0300 (Wed, 14 Sep 2022) $ #$Revision: 277836 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/20/2012011.cif $ #-------------------------------------------------------------------...

2,012,012

5.0976

0.0003

5.0976

0.0003

8.3441

0.0004

90

null

90

null

120

null

187.77

0.02

593

null

593

null

3

P 63 m c

P 6c -2c

186

- Al O4 P -

- Al O4.00008 P -

- Al2 O8.00016 P2 -

2

0.166667

Graetsch, Heribert A.

Hexagonal high-temperature form of AlPO~4~ tridymite, from X-ray powder data

Acta Crystallographica, Section C

2,001

57

665

667

10.1107/S0108270101005133

null

has coordinates

Graetsch, Heribert A. Hexagonal high-temperature form of AlPO~4~ tridymite, from X-ray powder data Acta Crystallographica, Section C 57 (2001) 665-667

277,836

2022-09-14

17:02:02

#------------------------------------------------------------------------------ #$Date: 2022-09-14 20:01:49 +0300 (Wed, 14 Sep 2022) $ #$Revision: 277836 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/20/2012012.cif $ #-------------------------------------------------------------------...

2,012,013

13.487

0.003

3.647

0.001

13.506

0.003

90

null

102.33

0.03

90

null

649

0.3

203

2

203

2

null

3

P 1 2/n 1

-P 2yac

13

1,2,4,5-Tetrahydroxybenzene monohydrate

- C6 H8 O5 -

- C24 H32 O20 -

4

1

DA1173

Jene, Paul G.; Pernin, Christopher G.; Ibers, James A.

Comparison of conventional and synchrotron X-ray structure determinations of the adduct 1,2,4,5-tetrahydroxybenzene–2,5-dihydroxy-1,4-benzoquinone (1/1) and a conventional X-ray structure determination of 1,2,4,5-tetrahydroxybenzene monohydrate

Acta Crystallographica Section C

2,001

57

6

730

734

10.1107/S0108270101003353

0.71073

MoKα

0.055

0.045

null

0.149

null

1.22

null

has coordinates,has Fobs

Jene, Paul G.; Pernin, Christopher G.; Ibers, James A. Comparison of conventional and synchrotron X-ray structure determinations of the adduct 1,2,4,5-tetrahydroxybenzene–2,5-dihydroxy-1,4-benzoquinone (1/1) and a conventional X-ray structure determination of 1,2,4,5-tetrahydroxybenzene monohydrate Acta Crystallographi...

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$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/2/01/20/2012013.cif $ #-------------------------------------------------------------------...

2,012,014

7.387

0.003

6.06

0.001

12.198

0.002

90

null

105.78

0.02

90

null

525.5

0.3

163

2

163

3

null

3

P 1 21/n 1

-P 2yn

14

1,2,4,5-Tetrahydroxybenzene-2,5-Dihydroxy-1,4-benzoquinone (1/1)

- C12 H10 O8 -

- C24 H20 O16 -

2

0.5

DA1173

Jene, Paul G.; Pernin, Christopher G.; Ibers, James A.

Comparison of conventional and synchrotron X-ray structure determinations of the adduct 1,2,4,5-tetrahydroxybenzene–2,5-dihydroxy-1,4-benzoquinone (1/1) and a conventional X-ray structure determination of 1,2,4,5-tetrahydroxybenzene monohydrate

Acta Crystallographica Section C

2,001

57

6

730

734

10.1107/S0108270101003353

1.54178

CuKα

0.038

0.035

null

0.114

null

1.14

null

has coordinates,has Fobs

Jene, Paul G.; Pernin, Christopher G.; Ibers, James A. Comparison of conventional and synchrotron X-ray structure determinations of the adduct 1,2,4,5-tetrahydroxybenzene–2,5-dihydroxy-1,4-benzoquinone (1/1) and a conventional X-ray structure determination of 1,2,4,5-tetrahydroxybenzene monohydrate Acta Crystallographi...

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$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/2/01/20/2012014.cif $ #-------------------------------------------------------------------...

2,012,015

7.382

0.001

6.065

0.001

12.197

0.001

90

null

105.778

0.001

90

null

525.51

0.12

110

2

110

2

null

3

P 1 21/n 1

-P 2yn

14

1,2,4,5-Tetrahydroxybenzene-2,5-Dihydroxy-1,4-benzoquinone (1/1)

- C12 H10 O8 -

- C24 H20 O16 -

2

0.5

DA1173

Jene, Paul G.; Pernin, Christopher G.; Ibers, James A.

Comparison of conventional and synchrotron X-ray structure determinations of the adduct 1,2,4,5-tetrahydroxybenzene–2,5-dihydroxy-1,4-benzoquinone (1/1) and a conventional X-ray structure determination of 1,2,4,5-tetrahydroxybenzene monohydrate

Acta Crystallographica Section C

2,001

57

6

730

734

10.1107/S0108270101003353

0.354

synchrotron

0.036

0.031

null

0.113

null

1.04

null

has coordinates,has Fobs

Jene, Paul G.; Pernin, Christopher G.; Ibers, James A. Comparison of conventional and synchrotron X-ray structure determinations of the adduct 1,2,4,5-tetrahydroxybenzene–2,5-dihydroxy-1,4-benzoquinone (1/1) and a conventional X-ray structure determination of 1,2,4,5-tetrahydroxybenzene monohydrate Acta Crystallographi...

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$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/2/01/20/2012015.cif $ #-------------------------------------------------------------------...

2,012,016

7.2603

0.0016

10.777

0.002

15.197

0.003

73.544

0.004

77.338

0.004

83.827

0.004

1,111.3

0.4

295

2

295

2

null

5

P -1

-P 1

2

(dimethylquinoxalineH)2CuBr3

Bis(dimethylquinoxalinium)tribrocuprate(I)

- C20 H22 Br3 Cu N4 -

- C40 H44 Br6 Cu2 N8 -

2

1

DA1178

Willett, Roger D.; Twamley, Brendan

Bis(2,3-dimethylquinoxalinium) tribromocuprate(I)

Acta Crystallographica Section C

2,001

57

6

706

708

10.1107/S0108270101005017

0.71073

MoKα

0.0537

0.0307

null

0.0718

null

0.994

null

has coordinates,has Fobs

Willett, Roger D.; Twamley, Brendan Bis(2,3-dimethylquinoxalinium) tribromocuprate(I) Acta Crystallographica Section C 57(6) (2001) 706-708

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/2/01/20/2012016.cif $ #-------------------------------------------------------------------...

2,012,017

9.2884

0.0008

6.7527

0.0006

10.6582

0.0009

90

null

96.5141

0.0014

90

null

664.19

0.1

193

2

193

2

null

5

P 1 21 1

P 2yb

4

2,4-Difluoro-(E)-5-(2-iodovinyl)-1-(2'-deoxy-β-D-ribofuranosyl)benzene

- C13 H13 F2 I O3 -

- C26 H26 F4 I2 O6 -

2

1

DA1180

Mark, Brian L.; Parrish, Jonathan C.; Wang, Zhi-Xian; Wiebe, Leonard I.; Knaus, Edward E.; James, Michael N. G.

(E)-1-(2'-Deoxy-β-D-ribofuranosyl)-2,4-difluoro-5-(2-iodovinyl)benzene

Acta Crystallographica Section C

2,001

57

6

758

760

10.1107/S0108270101005029

0.71073

MoKα

0.0394

0.0372

null

0.0953

null

1.021

null

has coordinates

Mark, Brian L.; Parrish, Jonathan C.; Wang, Zhi-Xian; Wiebe, Leonard I.; Knaus, Edward E.; James, Michael N. G. (E)-1-(2'-Deoxy-β-D-ribofuranosyl)-2,4-difluoro-5-(2-iodovinyl)benzene Acta Crystallographica Section C 57(6) (2001) 758-760

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$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/2/01/20/2012017.cif $ #-------------------------------------------------------------------...

2,012,018

12.487

0.002

7.5477

0.0013

17.513

0.003

90

null

105.22

0.02

90

null

1,592.7

0.5

296

2

296

2

null

4

P 1 21/a 1

-P 2yab

14

4,7-bis[(4-pyridyl)ethynyl]-2,1,3-benzothiadiazole

- C20 H10 N4 S -

- C80 H40 N16 S4 -

4

1

DE1167

Akhtaruzzaman, Md.; Tomura, Masaaki; Yamashita, Yoshiro

4,7-Bis(4-pyridylethynyl)-2,1,3-benzothiadiazole and its dipyridinium diperchlorate

Acta Crystallographica Section C

2,001

57

6

751

753

10.1107/S0108270101004802

1.54178

CuKα

0.1282

0.0682

null

0.2092

null

1.065

null

has coordinates

Akhtaruzzaman, Md.; Tomura, Masaaki; Yamashita, Yoshiro 4,7-Bis(4-pyridylethynyl)-2,1,3-benzothiadiazole and its dipyridinium diperchlorate Acta Crystallographica Section C 57(6) (2001) 751-753

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$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/2/01/20/2012018.cif $ #-------------------------------------------------------------------...

2,012,019

5.1097

0.0003

24.4522

0.0016

17.8489

0.0013

90

null

92.281

0.005

90

null

2,228.3

0.3

296

2

296

2

null

6

P 1 21/c 1

-P 2ybc

14

4,7-bis[(4-pyridinium)ethynyl]-2,1,3-benzothiadiazole diperchlorate

- C20 H12 Cl2 N4 O8 S -

- C80 H48 Cl8 N16 O32 S4 -

4

1

DE1167

Akhtaruzzaman, Md.; Tomura, Masaaki; Yamashita, Yoshiro

4,7-Bis(4-pyridylethynyl)-2,1,3-benzothiadiazole and its dipyridinium diperchlorate

Acta Crystallographica Section C

2,001

57

6

751

753

10.1107/S0108270101004802

1.54178

CuKα

0.1236

0.0606

null

0.2045

null

0.999

null

has coordinates,has Fobs

Akhtaruzzaman, Md.; Tomura, Masaaki; Yamashita, Yoshiro 4,7-Bis(4-pyridylethynyl)-2,1,3-benzothiadiazole and its dipyridinium diperchlorate Acta Crystallographica Section C 57(6) (2001) 751-753

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$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/2/01/20/2012019.cif $ #-------------------------------------------------------------------...

2,012,020

5.604

0.009

25.9

0.05

8.427

0.012

90

null

96.4

0.14

90

null

1,216

4

293

2

293

2

null

5

P 1 21/n 1

-P 2yn

14

aminomalononitrile p-toluenesulfonate

Ammonio-malononitrile p-toluenesulfonate

- C10 H11 N3 O3 S -

- C40 H44 N12 O12 S4 -

4

1

DE1169

Steiner, Thomas

The C—H···O hydrogen bond in (dicyanomethyl)ammonium p-toluenesulfonate

Acta Crystallographica Section C

2,001

57

6

775

776

10.1107/S0108270101005789

0.71073

MoKα

0.0604

0.0451

null

0.126

null

1.025

null

has coordinates,has Fobs

Steiner, Thomas The C—H···O hydrogen bond in (dicyanomethyl)ammonium p-toluenesulfonate Acta Crystallographica Section C 57(6) (2001) 775-776

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$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/2/01/20/2012020.cif $ #-------------------------------------------------------------------...

2,012,021

8.538

0.002

14.114

0.002

15.648

0.004

106.04

0.014

93.59

0.02

104.964

0.016

1,732.5

0.7

298

null

298

null

7

P -1

-P 1

2

- C33 H33 Cl3 Fe I N4 O4 -

- C66 H66 Cl6 Fe2 I2 N8 O8 -

2

1

FG1624

Ohgo, Yoshiki; Neya, Saburo; Funasaki, Noriaki; Nakamura, Mikio

(12,17-Diethoxycarbonyl-2,3,6,7,11,18-hexamethylcorrphycenato-κ^4^N)iodoiron(III) chloroform solvate

Acta Crystallographica Section C

2,001

57

6

694

695

10.1107/S0108270101003985

0.71069

MoKα

0.084

0.0479

null

0.15

null

1.089

null

has coordinates,has disorder

Ohgo, Yoshiki; Neya, Saburo; Funasaki, Noriaki; Nakamura, Mikio (12,17-Diethoxycarbonyl-2,3,6,7,11,18-hexamethylcorrphycenato-κ^4^N)iodoiron(III) chloroform solvate Acta Crystallographica Section C 57(6) (2001) 694-695

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/2/01/20/2012021.cif $ #-------------------------------------------------------------------...

2,012,022

29.2399

0.0004

12.5188

0.0002

23.8447

0.0004

90

null

119.649

0.0006

90

null

7,585.5

0.2

150

2

150

2

null

6

C 1 2/c 1

-C 2yc

15

- C39.5 H48 Cl2 N2 O2 Zr -

- C39.5 H47 Cl2 N2 O2 Zr -

- C316 H376 Cl16 N16 O16 Zr8 -

8

1

GD1128

Henderson, Kenneth W.; Kennedy, Alan R.; McKeown, Arlene E.; Mulvey, Robert E.

Dichlorobis(dibenzylamino)bis(tetrahydrofuran)zirconium(IV) toluene hemisolvate

Acta Crystallographica Section C

2,001

57

6

674

675

10.1107/S0108270101003559

0.71073

MoKα

0.1104

0.0502

null

0.1059

null

0.965

null

has coordinates,has disorder,has Fobs

Henderson, Kenneth W.; Kennedy, Alan R.; McKeown, Arlene E.; Mulvey, Robert E. Dichlorobis(dibenzylamino)bis(tetrahydrofuran)zirconium(IV) toluene hemisolvate Acta Crystallographica Section C 57(6) (2001) 674-675

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/2/01/20/2012022.cif $ #-------------------------------------------------------------------...

2,012,023

10.899

0.005

12.211

0.004

7.775

0.003

102.23

0.02

92.21

0.03

96.64

0.03

1,002.4

0.7

296.2

null

296.2

null

6

P -1

-P 1

2

- C22 H17 Cl2 N O3 S -

- C44 H34 Cl4 N2 O6 S2 -

2

1

GD1131

Chaudhuri, Gopeswar; Helliwell, Madeleine; Kundu, Nitya G.

(Z)-7-Chloro-3-[(3-chlorophenyl)methylidene]-4-p-tosyl-3,4-dihydro-2H-1,4-benzoxazine

Acta Crystallographica Section C

2,001

57

6

740

741

10.1107/S0108270101004036

0.7107

MoKα

0.0935

0.0491

null

0.1178

null

1.089

null

has coordinates

Chaudhuri, Gopeswar; Helliwell, Madeleine; Kundu, Nitya G. (Z)-7-Chloro-3-[(3-chlorophenyl)methylidene]-4-p-tosyl-3,4-dihydro-2H-1,4-benzoxazine Acta Crystallographica Section C 57(6) (2001) 740-741

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/2/01/20/2012023.cif $ #-------------------------------------------------------------------...

2,012,024

11.525

0.005

14.465

0.006

9.761

0.003

90

null

92.82

0.04

90

null

1,625.3

1.1

293

2

293

2

null

4

P 1 21/c 1

-P 2ybc

14

3-Phenylazo-2-(4-methoxyphenylamino)-2-penten-4-one

- C18 H19 N3 O2 -

- C72 H76 N12 O8 -

4

1

GD1141

Kettmann, Viktor; Lokaj, Jan; Petr Šimunek; Vladimír Macháček

4-(4-Methoxyphenylamino)-3-phenylazo-3-penten-2-one

Acta Crystallographica Section C

2,001

57

6

737

739

10.1107/S0108270101004851

0.71073

MoKα

0.153

0.0695

null

0.1394

null

0.932

null

has coordinates,has Fobs

Kettmann, Viktor; Lokaj, Jan; Petr Šimunek; Vladimír Macháček 4-(4-Methoxyphenylamino)-3-phenylazo-3-penten-2-one Acta Crystallographica Section C 57(6) (2001) 737-739

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/2/01/20/2012024.cif $ #-------------------------------------------------------------------...

2,012,025

7.153

0.003

8.961

0.004

13.156

0.007

92.69

0.05

106.83

0.05

96.79

0.04

798.6

0.7

293

2

293

2

null

4

P -1

-P 1

2

cis-6-Phenyl-4bH,6H,11H,13H-isoindolo[1,2-c]benz[2,4]oxazepin-13-one

- C22 H17 N O2 -

- C44 H34 N2 O4 -

2

1

GD1142

Lokaj, Jan; Kettmann, Viktor; Marchalin, Stefan; Sikoraiova, Jana

cis-6-Phenyl-4bH,6H,11H,13H-isoindolo[1,2-c]benz[2,4]oxazepin-13-one

Acta Crystallographica Section C

2,001

57

6

735

736

10.1107/S0108270101003870

0.71073

MoKα

0.061

0.047

null

0.133

null

1.099

null

has coordinates,has Fobs

Lokaj, Jan; Kettmann, Viktor; Marchalin, Stefan; Sikoraiova, Jana cis-6-Phenyl-4bH,6H,11H,13H-isoindolo[1,2-c]benz[2,4]oxazepin-13-one Acta Crystallographica Section C 57(6) (2001) 735-736

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$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/2/01/20/2012025.cif $ #-------------------------------------------------------------------...

2,012,026

11.414

0.003

10.769

0.003

17.863

0.005

90

null

93.303

0.006

90

null

2,192

1

150

2

150

2

null

7

P 1 21 1

P 2yb

4

μ-Oxo-bis[(η^5^-1,2-dicarbaundecaborato)bis(N,N-dimethylacetamidinato) tantalum] dichloromethane hemisolvate

- C20.5 H59 B18 Cl N8 O Ta2 -

- C41 H118 B36 Cl2 N16 O2 Ta4 -

2

1

GD1146

Goeta, Andrès E.; Hughes, Andrew K.; Malget, John M.

μ-Oxo-bis[(η^5^-1,2-dicarbaundecaborato)bis(N,N-dimethylacetamidinato)tantalum] dichloromethane hemisolvate

Acta Crystallographica Section C

2,001

57

6

702

703

10.1107/S010827010100436X

0.71073

MoKα

0.048

0.035

null

0.095

null

1.095

null

has coordinates,has Fobs

Goeta, Andrès E.; Hughes, Andrew K.; Malget, John M. μ-Oxo-bis[(η^5^-1,2-dicarbaundecaborato)bis(N,N-dimethylacetamidinato)tantalum] dichloromethane hemisolvate Acta Crystallographica Section C 57(6) (2001) 702-703

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/2/01/20/2012026.cif $ #-------------------------------------------------------------------...

2,012,027

7.108

0.001

17.598

0.004

7.246

0.001

90

null

90.33

0.03

90

null

906.4

0.3

293

2

293

2

null

4

P 1 21/c 1

-P 2ybc

14

1-Methyl-4-nitraminopyridinium nitrate

- C6 H8 N4 O5 -

- C24 H32 N16 O20 -

4

1

GD1147

Zaleski, Jacek; Daszkiewicz, Zdzisław; Kyzioł, Janusz B.

1-Methyl-4-nitraminopyridinium nitrate and 4-nitraminopyridinium methanesulfonate

Acta Crystallographica Section C

2,001

57

6

754

757

10.1107/S0108270101004784

0.71073

MoKα

0.075

0.043

null

0.141

null

1.028

null

has coordinates,has Fobs

Zaleski, Jacek; Daszkiewicz, Zdzisław; Kyzioł, Janusz B. 1-Methyl-4-nitraminopyridinium nitrate and 4-nitraminopyridinium methanesulfonate Acta Crystallographica Section C 57(6) (2001) 754-757

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$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/2/01/20/2012027.cif $ #-------------------------------------------------------------------...

2,012,028

11.824

0.002

8.138

0.002

20.125

0.004

90

null

97.36

0.03

90

null

1,920.5

0.7

293

2

293

2

null

5

P 1 21/n 1

-P 2yn

14

4-Nitraminopyridinium methanesulphonate

- C6 H9 N3 O5 S -

- C48 H72 N24 O40 S8 -

8

2

GD1147

Zaleski, Jacek; Daszkiewicz, Zdzisław; Kyzioł, Janusz B.

1-Methyl-4-nitraminopyridinium nitrate and 4-nitraminopyridinium methanesulfonate

Acta Crystallographica Section C

2,001

57

6

754

757

10.1107/S0108270101004784

0.71073

MoKα

0.038

0.033

null

0.099

null

1.083

null

has coordinates,has Fobs

Zaleski, Jacek; Daszkiewicz, Zdzisław; Kyzioł, Janusz B. 1-Methyl-4-nitraminopyridinium nitrate and 4-nitraminopyridinium methanesulfonate Acta Crystallographica Section C 57(6) (2001) 754-757

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$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/2/01/20/2012028.cif $ #-------------------------------------------------------------------...

2,012,029

12.4551

0.0014

7.9901

0.0008

13.035

0.0019

90

null

105.983

0.005

90

null

1,247.1

0.3

150

2

150

2

null

5

I 1 2 1

I 2y

5

Dichloro[1,2-bis(diphenylphosphino)ethane]nickel(II) (form C at 150 K)

- C26 H24 Cl2 Ni P2 -

- C52 H48 Cl4 Ni2 P4 -

2

0.5

GG1036

Davison, Jo C.; Foreman, Mark R. St.-J.; Howie, R. Alan; Plater, M. John; Skakle, Janet M.S.

A new polymorph, form C, of [1,2-bis(diphenylphosphino)ethane]dichloronickel(II)

Acta Crystallographica Section C

2,001

57

6

690

693

10.1107/S0108270101003961

0.71073

MoKα

0.084

0.05

null

0.105

null

1.04

null

has coordinates,has Fobs

Davison, Jo C.; Foreman, Mark R. St.-J.; Howie, R. Alan; Plater, M. John; Skakle, Janet M.S. A new polymorph, form C, of [1,2-bis(diphenylphosphino)ethane]dichloronickel(II) Acta Crystallographica Section C 57(6) (2001) 690-693

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/2/01/20/2012029.cif $ #-------------------------------------------------------------------...

2,012,030

12.5688

0.0015

8.0208

0.0008

13.0871

0.0009

90

null

105.531

0.004

90

null

1,271.2

0.2

293

2

293

2

null

5

I 1 2 1

I 2y

5

Dichloro[1,2-bis(diphenylphosphino)ethane]nickel(II) (form C at 293 K)

- C26 H24 Cl2 Ni P2 -

- C52 H48 Cl4 Ni2 P4 -

2

0.5

GG1036

Davison, Jo C.; Foreman, Mark R. St.-J.; Howie, R. Alan; Plater, M. John; Skakle, Janet M.S.

A new polymorph, form C, of [1,2-bis(diphenylphosphino)ethane]dichloronickel(II)

Acta Crystallographica Section C

2,001

57

6

690

693

10.1107/S0108270101003961

0.71073

MoKα

0.132

0.049

null

0.1

null

0.952

null

has coordinates,has Fobs

Davison, Jo C.; Foreman, Mark R. St.-J.; Howie, R. Alan; Plater, M. John; Skakle, Janet M.S. A new polymorph, form C, of [1,2-bis(diphenylphosphino)ethane]dichloronickel(II) Acta Crystallographica Section C 57(6) (2001) 690-693

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/2/01/20/2012030.cif $ #-------------------------------------------------------------------...

2,012,031

11.2779

0.0003

13.3386

0.0004

15.8739

0.0005

90

null

98.7953

0.0016

90

null

2,359.85

0.12

150

2

150

2

null

5

P 1 21/c 1

-P 2ybc

14

Dichloro[1,2-bis(diphenylphosphino)ethane]nickel(II) - form A at 150 K

- C26 H24 Cl2 Ni P2 -

- C104 H96 Cl8 Ni4 P8 -

4

1

GG1036

Davison, Jo C.; Foreman, Mark R. St.-J.; Howie, R. Alan; Plater, M. John; Skakle, Janet M.S.

A new polymorph, form C, of [1,2-bis(diphenylphosphino)ethane]dichloronickel(II)

Acta Crystallographica Section C

2,001

57

6

690

693

10.1107/S0108270101003961

0.71073

MoKα

0.059

0.042

null

0.117

null

1.058

null

has coordinates,has Fobs

Davison, Jo C.; Foreman, Mark R. St.-J.; Howie, R. Alan; Plater, M. John; Skakle, Janet M.S. A new polymorph, form C, of [1,2-bis(diphenylphosphino)ethane]dichloronickel(II) Acta Crystallographica Section C 57(6) (2001) 690-693

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/2/01/20/2012031.cif $ #-------------------------------------------------------------------...

2,012,032

12.7815

0.0007

7.701

0.0007

26.271

0.002

90

null

96.418

0.005

90

null

2,569.7

0.3

150

2

150

2

null

5

C 1 2/c 1

-C 2yc

15

Triaqua-bis[N-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2- yl)glycylglycinato]calcium

- C18 H28 Ca N12 O13 -

- C72 H112 Ca4 N48 O52 -

4

0.5

GG1048

Low, John N.; Arranz, Paloma; Cobo, Justo; Fontecha, M. Angeles; Godino, M. Luz; López, Rafael; Cannon, Debbie; Quesada, Antonio; Glidewell, Christopher

Bis[N-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)glycylglycinato]triaquacalcium: coordination polymer chains linked by hydrogen bonds

Acta Crystallographica Section C

2,001

57

6

680

682

10.1107/S0108270101004267

0.71073

MoKα

0.096

0.049

null

0.135

null

1

null

has coordinates,has Fobs

Low, John N.; Arranz, Paloma; Cobo, Justo; Fontecha, M. Angeles; Godino, M. Luz; López, Rafael; Cannon, Debbie; Quesada, Antonio; Glidewell, Christopher Bis[N-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)glycylglycinato]triaquacalcium: coordination polymer chains linked by hydrogen bonds Acta Crys...

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/2/01/20/2012032.cif $ #-------------------------------------------------------------------...

2,012,033

7.6037

0.0003

33.9046

0.0014

11.9404

0.0006

90

null

93.058

0.002

90

null

3,073.9

0.2

150

2

150

2

null

5

P 1 21/c 1

-P 2ybc

14

N,N'-Dithiodiphthalimide

- C16 H8 N2 O4 S2 -

- C128 H64 N16 O32 S16 -

8

2

GG1049

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

Solvated and solvent-free forms of N,N'-dithiodiphthalimide

Acta Crystallographica Section C

2,001

57

6

742

746

10.1107/S0108270101004279

0.71073

MoKα

0.249

0.061

null

0.115

null

0.86

null

has coordinates

Skakle, Janet M. S.; Wardell, James L.; Low, John N.; Glidewell, Christopher Solvated and solvent-free forms of N,N'-dithiodiphthalimide Acta Crystallographica Section C 57(6) (2001) 742-746

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$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/2/01/20/2012033.cif $ #-------------------------------------------------------------------...

2,012,034

14.3782

0.0013

16.0723

0.0014

7.791

0.0007

90

null

93.256

0.002

90

null

1,797.5

0.3

295

2

295

2

null

5

C 1 2/c 1

-C 2yc

15

N,N'-Dithiodiphthalimide

- C16 H8 N2 O4 S2 -

- C64 H32 N8 O16 S8 -

4

0.5

GG1049

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

Solvated and solvent-free forms of N,N'-dithiodiphthalimide

Acta Crystallographica Section C

2,001

57

6

742

746

10.1107/S0108270101004279

0.71073

MoKα

0.096

0.043

null

0.079

null

1.005

null

has coordinates

Skakle, Janet M. S.; Wardell, James L.; Low, John N.; Glidewell, Christopher Solvated and solvent-free forms of N,N'-dithiodiphthalimide Acta Crystallographica Section C 57(6) (2001) 742-746

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$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/2/01/20/2012034.cif $ #-------------------------------------------------------------------...

2,012,035

14.8129

0.0011

15.928

0.0013

7.6616

0.0006

90

null

91.671

0.002

90

null

1,806.9

0.2

150

2

150

2

null

5

C 1 2/c 1

-C 2yc

15

N,N'-Dithiodiphthalimide

- C16 H8 N2 O4 S2 -

- C64 H32 N8 O16 S8 -

4

0.5

GG1049

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

Solvated and solvent-free forms of N,N'-dithiodiphthalimide

Acta Crystallographica Section C

2,001

57

6

742

746

10.1107/S0108270101004279

0.71073

MoKα

0.14

0.062

null

0.184

null

0.92

null

has coordinates

Skakle, Janet M. S.; Wardell, James L.; Low, John N.; Glidewell, Christopher Solvated and solvent-free forms of N,N'-dithiodiphthalimide Acta Crystallographica Section C 57(6) (2001) 742-746

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$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/2/01/20/2012035.cif $ #-------------------------------------------------------------------...

2,012,036

9.5208

0.0001

9.5208

0.0001

37.5113

0.0005

90

null

90

null

120

null

2,944.69

0.06

293

2

293

2

null

3

P 63/m

-P 6c

176

pentarubidium heptacosamolybdenum hentriacontaselenium

- Mo27 Rb5 Se31 -

- Mo54 Rb10 Se62 -

2

0.166667

JZ1447

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

Rb~5~Mo~27~Se~31~, a novel ternary reduced molybdenum selenide containing Mo~12~ and Mo~15~ clusters

Acta Crystallographica Section C

2,001

57

6

663

664

10.1107/S0108270101003389

0.71069

MoKα

0.127

0.047

null

0.12

null

1.052

null

has coordinates,has Fobs

Picard, S.; Gougeon, P.; Potel, M. Rb~5~Mo~27~Se~31~, a novel ternary reduced molybdenum selenide containing Mo~12~ and Mo~15~ clusters Acta Crystallographica Section C 57(6) (2001) 663-664

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/2/01/20/2012036.cif $ #-------------------------------------------------------------------...

2,012,037

13.009

0.003

9.333

0.005

15.162

0.005

90

null

113.24

0.02

90

null

1,691.5

1.2

293

2

293

2

null

5

P 1 21/n 1

-P 2yn

14

[Mn(vanpa)(benzoato)]~2~

bis(μ-benzoato-O:O')-bis(2-(6-methoxy)salicylideneamino -3-propanolato-N,O'',O''':O''')-dimanganese(III)

- C36 H36 Mn2 N2 O10 -

- C72 H72 Mn4 N4 O20 -

2

0.5

JZ1457

Zhang, Cungen; Janiak, Christoph

A carboxylato-supported alkoxo-bridged dimanganese(III) complex: bis(μ-benzoato-O:O')bis[3-(3-methoxysalicylideneamino)propanolato-O,N,O':O']dimanganese(III)

Acta Crystallographica Section C

2,001

57

6

719

720

10.1107/S0108270101005790

0.71073

MoKα

0.0805

0.0466

null

0.116

null

1.06

null

has coordinates,has Fobs

Zhang, Cungen; Janiak, Christoph A carboxylato-supported alkoxo-bridged dimanganese(III) complex: bis(μ-benzoato-O:O')bis[3-(3-methoxysalicylideneamino)propanolato-O,N,O':O']dimanganese(III) Acta Crystallographica Section C 57(6) (2001) 719-720

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$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/2/01/20/2012037.cif $ #-------------------------------------------------------------------...

2,012,038

9.37

0.0004

13.033

0.0005

17.521

0.0006

90

null

90

null

90

null

2,139.65

0.14

123

2

123

2

null

4

P b c a

-P 2ac 2ab

61

4-Biphenylylurea

- C13 H12 N2 O -

- C104 H96 N16 O8 -

8

1

JZ1458

George, Sumod; Nangia, Ashwini; Lynch, Vincent M.

N-(4-Biphenylyl)urea

Acta Crystallographica Section C

2,001

57

6

777

778

10.1107/S0108270101005807

0.71073

MoKα

0.0543

0.0404

null

0.1044

null

0.0965

null

1.015

null

1.052

null

has coordinates,has Fobs

George, Sumod; Nangia, Ashwini; Lynch, Vincent M. N-(4-Biphenylyl)urea Acta Crystallographica Section C 57(6) (2001) 777-778

301,798

2025-08-19

6:41:49

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2,012,039

12.875

0.0002

6.996

0.0001

16.448

0.0003

90

null

111.223

0.0008

90

null

1,381.05

0.04

110

2

110

2

null

5

P 1 21/c 1

-P 2ybc

14

Bis(μ-pyrrolidine-N:N)bis(dibromoboron)

- C8 H16 B2 Br4 N2 -

- C32 H64 B8 Br16 N8 -

4

1

LN1117

Abu Ali, Hijazi; Goldberg, Israel; Srebnik, Morris

Bis(μ-pyrrolidine-N:N)bis(dibromoboron), [(Br)~2~B(pyrrolidine)~2~B(Br)~2~]

Acta Crystallographica Section C

2,001

57

6

770

771

10.1107/S0108270101005388

0.7107

MoKα

0.037

0.029

null

0.069

null

1.007

null

has coordinates,has Fobs

Abu Ali, Hijazi; Goldberg, Israel; Srebnik, Morris Bis(μ-pyrrolidine-N:N)bis(dibromoboron), [(Br)~2~B(pyrrolidine)~2~B(Br)~2~] Acta Crystallographica Section C 57(6) (2001) 770-771

301,798

2025-08-19

6:41:49

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2,012,040

9.9502

0.0002

10.368

0.0002

12.4995

0.0002

94.692

0.001

94.319

0.001

98.505

0.001

1,266.03

0.04

293

2

293

2

null

4

P -1

-P 1

2

5-Amino-4-(4-N,N-diethylaminophenyl)-2-(4'-hydroxyphenyl)-7- (pyrrolidin-1-yl)-1,6-naphthyridine-8-carbonitrile

- C29 H30 N6 O -

- C58 H60 N12 O2 -

2

1

NA1495

Sankaranarayanan, R.; Velmurugan, D.; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun

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

Acta Crystallographica Section C

2,001

57

6

726

727

10.1107/S010827010100422X

0.71073

MoKα

0.0631

0.0549

null

0.1698

null

1.009

null

has coordinates,has Fobs

Sankaranarayanan, R.; Velmurugan, D.; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun 5-Amino-4-(4-diethylaminophenyl)-2-(4-hydroxyphenyl)-7-(pyrrolidin-1-yl)-1,6-naphthyridine-8-carbonitrile Acta Crystallographica Section C 57(6) (2001) 726-727

301,798

2025-08-19

6:41:49

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2,012,041

19.27

0.004

7.2111

0.0017

10.025

0.005

90

null

90

null

90

null

1,393.1

0.8

293

2

null

5

I m a 2

I 2 -2a

46

catena-Poly[dibromozinc(II)-μ-ethylenediamine-N:N']

- C2 H8 Br2 N2 Zn -

- C16 H64 Br16 N16 Zn8 -

8

1

NA1500

Pritchard, Robin G.; Eaton, Nicola; McDonald, Stephen; Strickland, Phillip

catena-Poly[dibromozinc(II)-μ-ethylenediamine-N:N']: resolution of structural anomalies resulting from the interpretation of vibrational spectra

Acta Crystallographica Section C

2,001

57

6

672

673

10.1107/S0108270101000567

1.54178

CuKα

null

0.053

null

0.151

null

1.019

null

has coordinates,has Fobs

Pritchard, Robin G.; Eaton, Nicola; McDonald, Stephen; Strickland, Phillip catena-Poly[dibromozinc(II)-μ-ethylenediamine-N:N']: resolution of structural anomalies resulting from the interpretation of vibrational spectra Acta Crystallographica Section C 57(6) (2001) 672-673

176,760

2020-10-21

18:00:00

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2,012,042

8.238

0.008

7.498

0.006

15.016

0.008

90

null

92.81

0.05

90

null

926.4

1.3

293

2

293

2

null

5

P 1 21 1

P 2yb

4

Potassium 4-(4-bis(hydroxyethyl)amino-phenylazo)benzoate dihydrate

- C17 H22 K N3 O6 -

- C34 H44 K2 N6 O12 -

2

1

NA1508

Centore, Roberto; Tuzi, Angela

Polynuclear coordination compounds of alkali metal ions with organic chromophores

Acta Crystallographica Section C

2,001

57

6

698

701

10.1107/S0108270101004231

0.71069

MoKα

0.0626

0.0391

null

0.1035

null

1.027

null

has coordinates,has Fobs

Centore, Roberto; Tuzi, Angela Polynuclear coordination compounds of alkali metal ions with organic chromophores Acta Crystallographica Section C 57(6) (2001) 698-701

176,760

2020-10-21

18:00:00

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2,012,043

9.023

0.003

11.818

0.003

19.4

0.005

99.31

0.04

99.41

0.04

93.36

0.02

2,006.3

1.1

293

2

293

2

null

5

P -1

-P 1

2

Sodium 4-({4-[N,N-bis(2-hydroxyethyl)amino]phenyl}diazenyl)benzoate 3.5-hydrate

- C17 H25 N3 Na O7.5 -

- C68 H100 N12 Na4 O30 -

4

2

NA1508

Centore, Roberto; Tuzi, Angela

Polynuclear coordination compounds of alkali metal ions with organic chromophores

Acta Crystallographica Section C

2,001

57

6

698

701

10.1107/S0108270101004231

0.71069

MoKα

0.1215

0.0689

null

0.2091

null

0.996

null

has coordinates,has Fobs

Centore, Roberto; Tuzi, Angela Polynuclear coordination compounds of alkali metal ions with organic chromophores Acta Crystallographica Section C 57(6) (2001) 698-701

176,435

2020-10-21

18:00:00

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2,012,044

12.661

0.001

6.033

0.0008

18.494

0.0002

90

null

96.19

0.01

90

null

1,404.4

0.2

293

2

293

2

null

5

P 1 21/n 1

-P 2yn

14

- C11 H11 Cl3 O Te -

- C44 H44 Cl12 O4 Te4 -

4

1

NA1512

Zukerman-Schpector, J.; Haiduc, Ionel; Camillo, Robinson L.; Comasseto, João V.; Cunha, Rodrigo L. O. R.; Caracelli, I.

Acetonyldichloro[(Z)-2-chloro-2-phenylvinyl]tellurium(IV), helical chains of metal complexes

Acta Crystallographica Section C

2,001

57

6

749

750

10.1107/S0108270101004656

0.71073

MoKα

0.0411

0.0252

null

0.0714

null

1.044

null

has coordinates,has Fobs

Zukerman-Schpector, J.; Haiduc, Ionel; Camillo, Robinson L.; Comasseto, João V.; Cunha, Rodrigo L. O. R.; Caracelli, I. Acetonyldichloro[(Z)-2-chloro-2-phenylvinyl]tellurium(IV), helical chains of metal complexes Acta Crystallographica Section C 57(6) (2001) 749-750

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$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/2/01/20/2012044.cif $ #-------------------------------------------------------------------...

2,012,045

13.51

0.003

18.014

0.007

16.795

0.005

90

null

90

null

90

null

4,087

2

173

1

173

1

null

3

P b c n

-P 2n 2ab

60

Dispiro[fluorene-9,5'-[1,2,3,4]tetrathiane-6',9''-fluorene]

- C26 H16 S4 -

- C208 H128 S32 -

8

1

NA1515

Linden, Anthony; Gebert, Andreas; Heimgartner, Heinz

Dispiro[fluorene-9,5'-[1,2,3,4]tetrathiane-6',9''-fluorene]

Acta Crystallographica Section C

2,001

57

6

764

766

10.1107/S0108270101005248

0.71069

MoKα

0.0931

0.0422

null

0.1162

null

1.015

null

has coordinates,has Fobs

Linden, Anthony; Gebert, Andreas; Heimgartner, Heinz Dispiro[fluorene-9,5'-[1,2,3,4]tetrathiane-6',9''-fluorene] Acta Crystallographica Section C 57(6) (2001) 764-766

301,798

2025-08-19

6:41:49

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2,012,046

9.655

0.0005

20.8077

0.0008

11.0793

0.0005

90

null

102.388

0.005

90

null

2,173.99

0.18

293

2

293

2

null

4

P 1 21/c 1

-P 2ybc

14

Methyl β-carboline-3-carboxylate.

- C13 H10 N2 O2 -

- C104 H80 N16 O16 -

8

2

SK1458

Kubicki, Maciej; Codding, Penelope W.

Form II of monoclinic methyl β-carboline-3-carboxylate

Acta Crystallographica Section C

2,001

57

6

728

729

10.1107/S0108270101003171

1.54178

CuKα

0.0492

0.0391

null

0.0988

null

1.219

null

has coordinates

Kubicki, Maciej; Codding, Penelope W. Form II of monoclinic methyl β-carboline-3-carboxylate Acta Crystallographica Section C 57(6) (2001) 728-729

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/2/01/20/2012046.cif $ #-------------------------------------------------------------------...

2,012,047

17.9277

0.001

15.2675

0.0008

7.662

0.003

90

null

96.39

0.01

90

null

2,084.1

0.8

203

2

null

5

C 1 2/c 1

-C 2yc

15

N,N-Dimethylcarbamato-bis(η^2^-cyclooctene)iridium(I)

- C19 H34 Ir N S2 -

- C76 H136 Ir4 N4 S8 -

4

0.5

SK1462

Dahlenburg, Lutz; Kühnlein, Michael

Bis(η^2^-cyclooctene)(N,N-dimethyldithiocarbamato-S,S')iridium(I), the first example of a tetracoordinate Ir^I^ complex containing two π-bonded monoolefin ligands

Acta Crystallographica Section C

2,001

57

6

709

710

10.1107/S0108270101004954

0.71073

MoKα

0.0267

0.0192

null

0.0526

null

1.228

null

has coordinates,has Fobs

Dahlenburg, Lutz; Kühnlein, Michael Bis(η^2^-cyclooctene)(N,N-dimethyldithiocarbamato-S,S')iridium(I), the first example of a tetracoordinate Ir^I^ complex containing two π-bonded monoolefin ligands Acta Crystallographica Section C 57(6) (2001) 709-710

176,760

2020-10-21

18:00:00

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2,012,048

11.1819

0.0002

12.0934

0.0002

17.286

0.0002

107.693

0.001

96.349

0.001

109.896

0.001

2,033.41

0.06

293

2

293

2

null

7

P -1

-P 1

2

- C40 H36 N2 Ni O4 P2 S4 -

- C80 H72 N4 Ni2 O8 P4 S8 -

2

1

SK1464

Hao, Qingli; Fun, Hoong-Kun; Chantrapromma, Suchada; Razak, Ibrahim Abdul; Jian, Fangfang; Yang, Xujie; Lu, Lude; Wang, Xin

Bis(O,O'-di-p-tolyldithiophosphato-S,S')(1,10-phenanthroline-N,N')nickel(II)

Acta Crystallographica Section C

2,001

57

6

717

718

10.1107/S0108270101005522

0.71073

MoKα

0.0663

0.0482

null

0.1198

null

0.927

null

has coordinates,has Fobs

Hao, Qingli; Fun, Hoong-Kun; Chantrapromma, Suchada; Razak, Ibrahim Abdul; Jian, Fangfang; Yang, Xujie; Lu, Lude; Wang, Xin Bis(O,O'-di-p-tolyldithiophosphato-S,S')(1,10-phenanthroline-N,N')nickel(II) Acta Crystallographica Section C 57(6) (2001) 717-718

176,760

2020-10-21

18:00:00

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2,012,049

10.2842

0.0003

14.9172

0.0004

13.0621

0.0004

90

null

102.522

0.0011

90

null

1,956.21

0.1

150

2

150

2

null

6

P 1 21 1

P 2yb

4

μ-1,4-Benzenedicarboxylato-bis[trans-aqua(1,4,8,11-tetraazacyclotetradecane )nickel(II)] diperchlorate

- C28 H56 Cl2 N8 Ni2 O14 -

- C56 H112 Cl4 N16 Ni4 O28 -

2

1

SK1465

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

μ-1,4-Benzenedicarboxylato-bis[trans-aqua(1,4,8,11-tetraazacyclotetradecane)nickel(II)] diperchlorate forms a three-dimensional hydrogen-bonded framework

Acta Crystallographica Section C

2,001

57

6

683

686

10.1107/S0108270101003857

0.71073

MoKα

0.075

0.041

null

0.097

null

1.012

null

has coordinates,has Fobs

Zakaria, Choudhury M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher μ-1,4-Benzenedicarboxylato-bis[trans-aqua(1,4,8,11-tetraazacyclotetradecane)nickel(II)] diperchlorate forms a three-dimensional hydrogen-bonded framework Acta Crystallographica Section C 57(6) (2001) 683-686

301,798

2025-08-19

6:41:49

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2,012,050

23.822

0.0003

16.0839

0.0003

15.6819

0.0003

90

null

123.571

0.001

90

null

5,006.31

0.16

293

2

293

2

null

5

C 1 2/c 1

-C 2yc

15

- C30 H24 Fe N3 O3 -

- C240 H192 Fe8 N24 O24 -

8

1

SK1467

Jian, Fangfang; Wang, Ying; Lu, Lude; Yang, Xujie; Wang, Xin; Chantrapromma, Suchada; Fun, Hoong-Kun; Razak, Ibrahim Abdul

(2-Methylquinolin-8-olato)iron(III) and -copper(II) complexes

Acta Crystallographica Section C

2,001

57

6

714

716

10.1107/S0108270101005534

0.71073

MoKα

0.088

0.0531

null

0.1421

null

0.939

null

has coordinates,has Fobs

Jian, Fangfang; Wang, Ying; Lu, Lude; Yang, Xujie; Wang, Xin; Chantrapromma, Suchada; Fun, Hoong-Kun; Razak, Ibrahim Abdul (2-Methylquinolin-8-olato)iron(III) and -copper(II) complexes Acta Crystallographica Section C 57(6) (2001) 714-716

301,798

2025-08-19

6:41:49

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2,012,051

7.5388

0.0002

9.1091

0.0001

24.8514

0.0006

90

null

90

null

90

null

1,706.59

0.06

293

2

293

2

null

5

P b c n

-P 2n 2ab

60

- C20 H18 Cu N2 O3 -

- C80 H72 Cu4 N8 O12 -

4

0.5

SK1467

Jian, Fangfang; Wang, Ying; Lu, Lude; Yang, Xujie; Wang, Xin; Chantrapromma, Suchada; Fun, Hoong-Kun; Razak, Ibrahim Abdul

(2-Methylquinolin-8-olato)iron(III) and -copper(II) complexes

Acta Crystallographica Section C

2,001

57

6

714

716

10.1107/S0108270101005534

0.71073

MoKα

0.1154

0.0884

null

0.2393

null

1.074

null

has coordinates,has Fobs

Jian, Fangfang; Wang, Ying; Lu, Lude; Yang, Xujie; Wang, Xin; Chantrapromma, Suchada; Fun, Hoong-Kun; Razak, Ibrahim Abdul (2-Methylquinolin-8-olato)iron(III) and -copper(II) complexes Acta Crystallographica Section C 57(6) (2001) 714-716

301,798

2025-08-19

6:41:49

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2,012,052

6.088

0.002

11.9486

0.0015

15.022

0.012

90

null

107.54

0.04

90

null

1,041.9

0.9

293

2

293

2

null

5

P 1 21/c 1

-P 2ybc

14

betainium trifluoroacetate

N,N,N-trimethylglycinium-trifluoroacetate

- C7 H12 F3 N O4 -

- C28 H48 F12 N4 O16 -

4

1

SK1468

Rodrigues, V. H.; Paixão, J. A.; Costa, M.M.R.R.; Matos Beja, A.

Betainium trifluoroacetate

Acta Crystallographica Section C

2,001

57

6

761

763

10.1107/S0108270101004966

0.71073

MoKα

0.0612

0.0389

null

0.1239

null

1.028

null

has coordinates,has disorder,has Fobs

Rodrigues, V. H.; Paixão, J. A.; Costa, M.M.R.R.; Matos Beja, A. Betainium trifluoroacetate Acta Crystallographica Section C 57(6) (2001) 761-763

176,760

2020-10-21

18:00:00

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2,012,053

11.39

0.0002

21.2256

0.0006

11.7248

0.0003

90

null

118.214

0.0012

90

null

2,497.79

0.11

150

2

150

2

null

5

P 1 21/c 1

-P 2ybc

14

Ferrocenecarboxylic acid‒1,4-diazabicyclo[2.2.2]octane (2/1)

- C28 H32 Fe2 N2 O4 -

- C112 H128 Fe8 N8 O16 -

4

1

SK1469

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

Ferrocenecarboxylic acid‒1,4-diazabicyclo[2.2.2]octane (2/1): sheets built from O—H···N and C—H···O hydrogen bonds

Acta Crystallographica Section C

2,001

57

6

687

689

10.1107/S0108270101004978

0.71073

MoKα

0.0944

0.0443

null

0.1037

null

0.985

null

has coordinates

Zakaria, Choudhury M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher Ferrocenecarboxylic acid‒1,4-diazabicyclo[2.2.2]octane (2/1): sheets built from O—H···N and C—H···O hydrogen bonds Acta Crystallographica Section C 57(6) (2001) 687-689

176,760

2020-10-21

18:00:00

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2,012,054

7.5083

0.0002

11.614

0.0003

12.6644

0.0003

93.862

0.001

98.759

0.001

94.527

0.001

1,084.53

0.05

293

null

293

null

4

P -1

-P 1

2

Ethyl 1,4-dihydro-2,4,6-triphenylpyridine-3-carboxylate

- C26 H23 N O2 -

- C52 H46 N2 O4 -

2

1

SK1471

Bolte, Michael

Dimorphism of ethyl 1,4-dihydro-2,4,6-triphenylpyridine-3-carboxylate

Acta Crystallographica Section C

2,001

57

6

772

774

10.1107/S0108270101005546

0.71073

MoKα

0.064

0.053

null

0.141

null

1.098

null

has coordinates,has Fobs

Bolte, Michael Dimorphism of ethyl 1,4-dihydro-2,4,6-triphenylpyridine-3-carboxylate Acta Crystallographica Section C 57(6) (2001) 772-774

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$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/2/01/20/2012054.cif $ #-------------------------------------------------------------------...

2,012,055

7.5178

0.0001

10.0669

0.0002

14.6364

0.0002

73.534

0.001

80.826

0.001

81.478

0.001

1,042.46

0.03

163

null

163

null

4

P -1

-P 1

2

Ethyl 1,4-dihydro-2,4,6-triphenylpyridine-3-carboxylate

- C26 H23 N O2 -

- C52 H46 N2 O4 -

2

1

SK1471

Bolte, Michael

Dimorphism of ethyl 1,4-dihydro-2,4,6-triphenylpyridine-3-carboxylate

Acta Crystallographica Section C

2,001

57

6

772

774

10.1107/S0108270101005546

0.71073

MoKα

0.044

0.036

null

0.095

null

1.03

null

has coordinates,has Fobs

Bolte, Michael Dimorphism of ethyl 1,4-dihydro-2,4,6-triphenylpyridine-3-carboxylate Acta Crystallographica Section C 57(6) (2001) 772-774

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$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/2/01/20/2012055.cif $ #-------------------------------------------------------------------...

2,012,056

23.525

0.007

8.2344

0.0008

15.841

0.005

90

null

127.996

0.014

90

null

2,418.2

1.2

296

2

296

2

null

7

C 1 2/c 1

-C 2yc

15

dibromobis(hexamethylphosphoric triamide)cobalt(II)

- C12 H36 Br2 Co N6 O2 P2 -

- C48 H144 Br8 Co4 N24 O8 P8 -

4

0.5

SK1472

Suzuki, Honoh; Yuriko, Abe; Ishiguro, Shin-ichi

Complex of cobalt(II) bromide with hexamethylphosphoric triamide

Acta Crystallographica Section C

2,001

57

6

721

722

10.1107/S0108270101005960

0.71073

MoKα

0.1066

0.0553

null

0.2121

null

1.256

null

has coordinates,has Fobs

Suzuki, Honoh; Yuriko, Abe; Ishiguro, Shin-ichi Complex of cobalt(II) bromide with hexamethylphosphoric triamide Acta Crystallographica Section C 57(6) (2001) 721-722

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/2/01/20/2012056.cif $ #-------------------------------------------------------------------...

2,012,057

8.45

0.001

11.665

0.002

14.93

0.003

75.44

0.02

76.65

0.02

86.44

0.02

1,385.9

0.4

293

2

293

2

null

4

P -1

-P 1

2

3-[(2-hydroxyethoxy)methyl]-6-methyl-3H-imidazol[1,2-a]purin-9(5H)-one

- C11 H17 N5 O5 -

- C44 H68 N20 O20 -

4

2

SX1107

Suwińska, Kinga; Golankiewicz, Bożenna; Zielenkiewicz, Wojciech

Water molecules in the crystal structure of tricyclic acyclovir

Acta Crystallographica Section C

2,001

57

6

767

769

10.1107/S0108270101005364

0.71073

MoKα

0.145

0.062

null

0.155

null

1.018

null

has coordinates,has disorder,has Fobs

Suwińska, Kinga; Golankiewicz, Bożenna; Zielenkiewicz, Wojciech Water molecules in the crystal structure of tricyclic acyclovir Acta Crystallographica Section C 57(6) (2001) 767-769

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/2/01/20/2012057.cif $ #-------------------------------------------------------------------...

2,012,058

12.988

0.001

21.823

0.002

23.542

0.004

90

null

90.84

0.01

90

null

6,672

1.4

298

2

298

2

null

4

P 1 21/n 1

-P 2yn

14

catena-poly[europium(III)-tri-μ-4-methylbenzoato-O:O,O';O:O,O';O,O':O']

- C24 H21 Eu O6 -

- C288 H252 Eu12 O72 -

12

3

VJ1129

Jin, Qiong-Hua; Li, Xia; Zou, Ying-Quan; Yu, Kai-Bei

catena-Poly[europium-tri-μ-4-methylbenzoato]

Acta Crystallographica Section C

2,001

57

6

676

677

10.1107/S0108270101003560

0.71073

MoKα

null

0.0305

null

0.0597

null

0.896

null

has coordinates

Jin, Qiong-Hua; Li, Xia; Zou, Ying-Quan; Yu, Kai-Bei catena-Poly[europium-tri-μ-4-methylbenzoato] Acta Crystallographica Section C 57(6) (2001) 676-677

249,787

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2020-03-27 12:18:32 +0200 (Fri, 27 Mar 2020) $ #$Revision: 249787 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/20/2012058.cif $ #-------------------------------------------------------------------...

2,012,059

12.554

0.0003

7.4686

0.0002

8.2628

0.0003

90

null

100.272

0.0013

90

null

762.31

0.04

293

2

293

2

null

6

C 1 2/c 1

-C 2yc

15

poly[copper(II)-di-μ-hypophosphito-μ-urea]

- C H8 Cu N2 O5 P2 -

- C4 H32 Cu4 N8 O20 P8 -

4

0.5

AV1072

Naumov, Dmitry Yu.; Yufit, Dmitrii S.; Boldyreva, Elena V.; Howard, Judith A. K.

A urea complex of copper(II) hypophosphite at 293, 100 and 15K

Acta Crystallographica Section C

2,001

57

7

790

792

10.1107/S0108270101004711

0.71073

MoKα

0.028

0.026

null

0.076

null

1.119

null

has coordinates

Naumov, Dmitry Yu.; Yufit, Dmitrii S.; Boldyreva, Elena V.; Howard, Judith A. K. A urea complex of copper(II) hypophosphite at 293, 100 and 15K Acta Crystallographica Section C 57(7) (2001) 790-792

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/2/01/20/2012059.cif $ #-------------------------------------------------------------------...