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

2,012,760

8.1517

0.0016

13.4955

0.0012

15.486

0.002

90

null

90

null

90

null

1,703.6

0.4

296

2

296

2

null

4

P 21 21 21

P 2ac 2ab

19

(-)-α-isosparteine copper(II) diazide

(Diazido-N)[(-)-α-isosparteine-N,N']copper(II)

- C15 H26 Cu N8 -

- C60 H104 Cu4 N32 -

4

1

GD1202

Kim, Bun-Joo; Lee, Yong-Min; Kim, Eun Hee; Kang, Sung Kwon; Choi, Sung-Nak

(–)-α-Isosparteine copper(II) diazide

Acta Crystallographica Section C

2,002

58

6

m361

m362

10.1107/S0108270102008016

0.71073

MoKα

0.112

0.052

null

0.063

0.087

null

1.081

null

has coordinates,has Fobs

Kim, Bun-Joo; Lee, Yong-Min; Kim, Eun Hee; Kang, Sung Kwon; Choi, Sung-Nak (–)-α-Isosparteine copper(II) diazide Acta Crystallographica Section C 58(6) (2002) m361-m362

301,798

2025-08-19

6:41:50

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2,012,761

7.2703

0.0006

7.2963

0.0008

24.086

0.003

90

null

94.517

0.008

90

null

1,273.7

0.2

295

2

295

2

null

4

P 1 21/c 1

-P 2ybc

14

N-(2-methoxyphenyl)-4-nitrophenylimine

- C14 H12 N2 O3 -

- C56 H48 N8 O12 -

4

1

GG1100

Zhang, De-Chun

The effect of molecular planarity on crystal non-centrosymmetry in benzylidene–aniline derivatives

Acta Crystallographica Section C

2,002

58

6

o351

o352

10.1107/S0108270102006479

0.71073

MoKα

0.059

0.04

null

0.1

0.108

null

1.001

null

has coordinates,has Fobs

Zhang, De-Chun The effect of molecular planarity on crystal non-centrosymmetry in benzylidene–aniline derivatives Acta Crystallographica Section C 58(6) (2002) o351-o352

301,798

2025-08-19

6:41:50

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2,012,762

8.6495

0.0018

17.118

0.004

10.568

0.002

90

null

113.85

0.02

90

null

1,431.1

0.6

220

2

220

2

null

4

C 1 c 1

C -2yc

9

catena-Poly[[(2,2'-bipyridine-κ^2^N:N')(dicyanamide-κN)copper(II)]- μ-dicyanamide-κ^2^N:N']

- C14 H8 Cu N8 -

- C56 H32 Cu4 N32 -

4

1

GG1106

Potočňák, Ivan; Burčák, Milan; Wagner, Christoph; Jäger, Lothar

Low-dimensional compounds containing cyano groups. II. catena-Poly[[(2,2'-bipyridine-κ^2^N:N')(dicyanamido-κN)copper(II)]-μ-dicyanamido-κ^2^N:N']

Acta Crystallographica Section C

2,002

58

6

m327

m329

10.1107/S0108270102006625

0.71073

MoKα

0.024

0.023

null

0.06

0.064

null

1.092

null

has coordinates,has Fobs

Potočňák, Ivan; Burčák, Milan; Wagner, Christoph; Jäger, Lothar Low-dimensional compounds containing cyano groups. II. catena-Poly[[(2,2'-bipyridine-κ^2^N:N')(dicyanamido-κN)copper(II)]-μ-dicyanamido-κ^2^N:N'] Acta Crystallographica Section C 58(6) (2002) m327-m329

176,760

2020-10-21

18:00:00

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2,012,763

10.1635

0.0017

17.038

0.003

12.547

0.003

90

null

108.155

0.013

90

null

2,064.5

0.7

293

2

293

2

null

3

P 1 21/c 1

-P 2ybc

14

5,6,11,12-tetrahydro-5,12;6,11-di-o-benzenodibenzo[a,e]cyclooctene- 5,6-dicarboxylic anhydride

- C30 H18 O3 -

- C120 H72 O12 -

4

1

NA1561

Cicogna, Francesca; Ingrosso, Giovanni; Marchetti, Fabio

A [4π+4π] intramolecular photocyclomer of 9-anthroic anhydride: 5,6,11,12-tetrahydro-5,12;6,11-di-o-benzenodibenzo[a,e]cyclooctene-5,6-dicarboxylic anhydride

Acta Crystallographica Section C

2,002

58

6

o359

o361

10.1107/S0108270102007436

0.71073

MoKα

0.176

0.066

null

0.105

0.138

null

0.975

null

has coordinates,has Fobs

Cicogna, Francesca; Ingrosso, Giovanni; Marchetti, Fabio A [4π+4π] intramolecular photocyclomer of 9-anthroic anhydride: 5,6,11,12-tetrahydro-5,12;6,11-di-o-benzenodibenzo[a,e]cyclooctene-5,6-dicarboxylic anhydride Acta Crystallographica Section C 58(6) (2002) o359-o361

301,798

2025-08-19

6:41:50

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2,012,764

8.232

0.003

15.348

0.005

10.539

0.003

90

null

94.5

0.02

90

null

1,327.4

0.8

293

2

293

3

null

6

P 1 21 1

P 2yb

4

Λ-trans(O)-(1,2-diaminoethane)bis(S-tyrosinato)cobalt(III) chloride tetrahydrate

- C20 H36 Cl Co N4 O10 -

- C40 H72 Cl2 Co2 N8 O20 -

2

1

NA1562

Bogdanović, Goran A.; Miodragović, Djenana U.; Malinar, Mijat J.

Mixed cobalt(III) complexes with aromatic amino acids and diamines. III. Absolute structure of Λ-trans(O)-(1,2-diaminoethane-κ^2^N,N)bis(S-tyrosinato)cobalt(III) chloride tetrahydrate

Acta Crystallographica Section C

2,002

58

6

m338

m340

10.1107/S0108270102006728

0.71073

MoKα

0.045

0.0318

null

0.081

0.0881

null

1.1

null

has coordinates,has Fobs

Bogdanović, Goran A.; Miodragović, Djenana U.; Malinar, Mijat J. Mixed cobalt(III) complexes with aromatic amino acids and diamines. III. Absolute structure of Λ-trans(O)-(1,2-diaminoethane-κ^2^N,N)bis(S-tyrosinato)cobalt(III) chloride tetrahydrate Acta Crystallographica Section C 58(6) (200...

301,798

2025-08-19

6:41:50

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2,012,765

9.402

0.002

10.121

0.003

13.71

0.003

90

null

90

null

90

null

1,304.6

0.6

293

2

null

6

P 21 21 21

P 2ac 2ab

19

- C4 H14 Cl2 N6 S2 Zn -

- C16 H56 Cl8 N24 S8 Zn4 -

4

1

NA1563

Novaković, Sladjana B.; Tomić, Zoran D.; Jevtović, Violeta; Leovac, Vukadin M.

Transition metal complexes with thiosemicarbazide-based ligands. XLIII. Chlorobis(3-methylisothiosemicarbazide-κ^2^N^1^,N^4^)zinc(II) chloride

Acta Crystallographica Section C

2,002

58

6

m358

m360

10.1107/S0108270102007564

0.71073

MoKα

null

0.065

null

0.124

null

0.976

null

has coordinates,has Fobs

Novaković, Sladjana B.; Tomić, Zoran D.; Jevtović, Violeta; Leovac, Vukadin M. Transition metal complexes with thiosemicarbazide-based ligands. XLIII. Chlorobis(3-methylisothiosemicarbazide-κ^2^N^1^,N^4^)zinc(II) chloride Acta Crystallographica Section C 58(6) (2002) m358-m360

176,760

2020-10-21

18:00:00

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2,012,766

17.541

0.002

12.112

0.001

24.95

0.003

90

null

109.26

0.01

90

null

5,004.1

1

293

2

293

2

null

7

P 1 21/c 1

-P 2ybc

14

cis-dicloro [tris-(diphenylphosphinoethyl)amine] ruthenium (II) chloform solvate

- C44.4 H46.5 Cl9.5 N O P3 Ru -

- C177.6 H186 Cl38 N4 O4 P12 Ru4 -

4

1

NA1568

Anzellotti, Atilio; Briceño, Alexander; Delgado, Gerzon; Díaz de Delgado, Graciela; Fontal, Bernardo

cis-Dichloro[tris(diphenylphosphinoethyl)amine]ruthenium(II)‒chloroform‒water (1/2.5/1)

Acta Crystallographica Section C

2,002

58

6

m355

m357

10.1107/S0108270102008004

0.71069

MoKα

0.1696

0.0797

null

0.1807

0.2233

null

1.047

null

has coordinates,has disorder,has Fobs

Anzellotti, Atilio; Briceño, Alexander; Delgado, Gerzon; Díaz de Delgado, Graciela; Fontal, Bernardo cis-Dichloro[tris(diphenylphosphinoethyl)amine]ruthenium(II)‒chloroform‒water (1/2.5/1) Acta Crystallographica Section C 58(6) (2002) m355-m357

176,435

2020-10-21

18:00:00

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2,012,767

8.932

0.001

5.324

0.001

26.316

0.002

90

null

92.8

0.01

90

null

1,249.9

0.3

288

2

288

2

null

5

P 1 21/n 1

-P 2yn

14

benzoylacetone S-methylisothiosemicarbazone

1-(1-Benzoylpropen2-yl)-3-methylisothiosemicarbazide

- C12 H15 N3 O S -

- C48 H60 N12 O4 S4 -

4

1

NA1569

Forni, Alessandra; Gradinaru, Julieta

1-(1-Benzoylpropen-2-yl)-3-methylisothiosemicarbazide

Acta Crystallographica Section C

2,002

58

6

o342

o344

10.1107/S0108270102007059

0.71073

MoKα

0.085

0.05

null

0.14

0.151

null

0.881

null

has coordinates,has Fobs

Forni, Alessandra; Gradinaru, Julieta 1-(1-Benzoylpropen-2-yl)-3-methylisothiosemicarbazide Acta Crystallographica Section C 58(6) (2002) o342-o344

301,798

2025-08-19

6:41:50

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2,012,768

4.539

0.001

28.544

0.006

9.863

0.002

90

null

97.57

0.03

90

null

1,266.7

0.5

293

2

293

2

null

4

P 1 21/c 1

-P 2ybc

14

melaminium glutarate monohydrate

2,4,6-triamino-1,3,5-triazine-1-ium glutarate monohydrate

- C8 H16 N6 O5 -

- C32 H64 N24 O20 -

4

1

NA1570

Janczak, Jan; Perpétuo, Genivaldo Julio

Melaminium glutarate monohydrate

Acta Crystallographica Section C

2,002

58

6

o339

o341

10.1107/S0108270102007266

0.71073

MoKα

0.075

0.029

null

0.058

0.07

null

1.008

null

has coordinates,has Fobs

Janczak, Jan; Perpétuo, Genivaldo Julio Melaminium glutarate monohydrate Acta Crystallographica Section C 58(6) (2002) o339-o341

301,798

2025-08-19

6:41:50

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2,012,769

7.681

0.0002

14.461

0.0003

14.619

0.0004

90

null

90

null

90

null

1,623.8

0.07

293

2

293

2

null

4

P 21 21 21

P 2ac 2ab

19

a precursor of a β-lactamase inhibitor

allyl (4S,8S,9R)-10-[(E)-ethylidene]-4-methoxy-11-oxo-1- azatricyclo[7.2.0.0^3,8^]undec-2-ene-2-carboxylate

- C17 H21 N O4 -

- C68 H84 N4 O16 -

4

1

NA1571

Leban, Ivan; Selič, Lovro; Mesar, Tomaž; Čopar, Anton; Šolmajer, Tom

Precursor of a β-lactamase inhibitor: allyl (4S,8S,9R)-10-[(E)-ethylidene]-4-methoxy-11-oxo-1-azatricyclo[7.2.0.0^3,8^]undec-2-ene-2-carboxylate

Acta Crystallographica Section C

2,002

58

6

o367

o369

10.1107/S010827010200793X

0.71073

MoKα

0.0509

0.0434

null

0.1206

0.1271

null

1.057

null

has coordinates,has Fobs

Leban, Ivan; Selič, Lovro; Mesar, Tomaž; Čopar, Anton; Šolmajer, Tom Precursor of a β-lactamase inhibitor: allyl (4S,8S,9R)-10-[(E)-ethylidene]-4-methoxy-11-oxo-1-azatricyclo[7.2.0.0^3,8^]undec-2-ene-2-carboxylate Acta Crystallographica Section C 58(6) (2002) o367-o369

176,760

2020-10-21

18:00:00

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2,012,770

10.8806

0.0002

22.467

0.0005

11.5313

0.0003

90

null

92.208

0.001

90

null

2,816.78

0.11

153

2

153

2

null

5

P 1 21 1

P 2yb

4

(1R)-2-[(3R,4S)-3-Methyl-4-(N-phenyl-N-propionylamino)pyridyl]-1- phenylethyl p-bromobenzoate

- C30 H33 Br N2 O3 -

- C120 H132 Br4 N8 O12 -

4

2

SK1544

Deschamps, Jeffrey R.; George, Clifford; Flippen-Anderson, Judith L.

(1R)-2-[(3R,4S)-3-Methyl-4-(N-phenyl-N-propionylamino)piperidin-1-yl]-1-phenylethyl p-bromobenzoate and N-{(3R,4S)-1-[(2S)-2-(4-bromophenyl)-2-hydroxyethyl]-3-methyl-piperidin-4-yl}-N-phenylacrylamide

Acta Crystallographica Section C

2,002

58

6

o362

o364

10.1107/S0108270102006443

1.54178

CuKα

0.0485

0.0471

null

0.1201

0.1215

null

1.066

null

has coordinates,has Fobs

Deschamps, Jeffrey R.; George, Clifford; Flippen-Anderson, Judith L. (1R)-2-[(3R,4S)-3-Methyl-4-(N-phenyl-N-propionylamino)piperidin-1-yl]-1-phenylethyl p-bromobenzoate and N-{(3R,4S)-1-[(2S)-2-(4-bromophenyl)-2-hydroxyethyl]-3-methyl-piperidin-4-yl}...

301,798

2025-08-19

6:41:50

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2,012,771

6.1932

0.0001

10.7461

0.0001

33.0458

0.0003

90

null

90

null

90

null

2,199.29

0.05

295

2

295

2

null

5

P 21 21 21

P 2ac 2ab

19

N-{(3R,4S)1-[(2S)-2-(4-bromophenyl)-2-hydroxyethyl]-3-methyl-4-pyridyl}- N-phenylpropenamide

- C23 H27 Br N2 O2 -

- C92 H108 Br4 N8 O8 -

4

1

SK1544

Deschamps, Jeffrey R.; George, Clifford; Flippen-Anderson, Judith L.

(1R)-2-[(3R,4S)-3-Methyl-4-(N-phenyl-N-propionylamino)piperidin-1-yl]-1-phenylethyl p-bromobenzoate and N-{(3R,4S)-1-[(2S)-2-(4-bromophenyl)-2-hydroxyethyl]-3-methyl-piperidin-4-yl}-N-phenylacrylamide

Acta Crystallographica Section C

2,002

58

6

o362

o364

10.1107/S0108270102006443

1.54178

CuKα

0.0434

0.0414

null

0.1029

0.1052

null

1.093

null

has coordinates,has Fobs

Deschamps, Jeffrey R.; George, Clifford; Flippen-Anderson, Judith L. (1R)-2-[(3R,4S)-3-Methyl-4-(N-phenyl-N-propionylamino)piperidin-1-yl]-1-phenylethyl p-bromobenzoate and N-{(3R,4S)-1-[(2S)-2-(4-bromophenyl)-2-hydroxyethyl]-3-methyl-piperidin-4-yl}...

301,798

2025-08-19

6:41:50

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2,012,772

20.96

0.004

6.8198

0.0014

11.73

0.002

90

null

118.67

0.03

90

null

1,471.2

0.6

293

2

293

2

null

5

C 1 2/m 1

-C 2y

12

Ethyl 2-{[5-(ethoxycarbonyl)-3,4-dimethyl-1,3-thiazol-2(3H)-ylidene]hydrazono}- 3,4-dimethyl-2,3-dihydro-1,3-thiazole-5-carboxylate 7,7,8,8-tetracyano-p-quinodimethane (1/1)

- C28 H26 N8 O4 S2 -

- C56 H52 N16 O8 S4 -

2

0.25

SK1545

Toplak, Renata; Lorcy, Dominique

A neutral complex of an azino‒DTDAF compound with TCNQ

Acta Crystallographica Section C

2,002

58

6

o370

o372

10.1107/S0108270102007722

0.71073

MoKα

0.057

0.041

null

0.102

0.108

null

0.97

null

has coordinates,has Fobs

Toplak, Renata; Lorcy, Dominique A neutral complex of an azino‒DTDAF compound with TCNQ Acta Crystallographica Section C 58(6) (2002) o370-o372

176,760

2020-10-21

18:00:00

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2,012,773

7.307

0.003

6.453

0.003

14.423

0.008

90

null

101.83

0.03

90

null

665.6

0.6

298

2

298

2

null

4

P 1 2/a 1

-P 2ya

13

Aqua(4,4'-oxydibenzoato-κO)cadmium(II)

- C14 H10 Cd O6 -

- C28 H20 Cd2 O12 -

2

0.5

SK1548

Hu, Mao-Lin; Gao, Peng; Ng, Seik Weng

Aqua(4,4'-oxydibenzoato-κO)cadmium(II)

Acta Crystallographica Section C

2,002

58

6

m323

m324

10.1107/S0108270102006352

0.71073

MoKα

0.028

0.025

null

0.066

0.067

null

1.05

null

has coordinates,has Fobs

Hu, Mao-Lin; Gao, Peng; Ng, Seik Weng Aqua(4,4'-oxydibenzoato-κO)cadmium(II) Acta Crystallographica Section C 58(6) (2002) m323-m324

176,760

2020-10-21

18:00:00

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2,012,774

7.544

0.005

9.084

0.006

9.152

0.008

72.65

0.06

66.61

0.05

76.96

0.07

545.3

0.7

293

2

293

2

null

5

P -1

-P 1

2

1-Methyl-1H-imidazo[5,4-f]quinolin-6-ium chloride monohydrate

- C11 H12 Cl N3 O -

- C22 H24 Cl2 N6 O2 -

2

1

SK1549

Kettmann, Viktor; Lokaj, Jan; Milata, Viktor; Saloň, Jozef; Hasan, Mohamed Mahmoud Mohamed

1-Methyl-1H-imidazo[4,5-f]quinolin-6-ium chloride monohydrate

Acta Crystallographica Section C

2,002

58

6

o365

o366

10.1107/S0108270102008089

0.71073

MoKα

0.137

0.07

null

0.162

0.201

null

0.916

null

has coordinates,has Fobs

Kettmann, Viktor; Lokaj, Jan; Milata, Viktor; Saloň, Jozef; Hasan, Mohamed Mahmoud Mohamed 1-Methyl-1H-imidazo[4,5-f]quinolin-6-ium chloride monohydrate Acta Crystallographica Section C 58(6) (2002) o365-o366

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$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/2/01/27/2012774.cif $ #-------------------------------------------------------------------...

2,012,775

7.238

0.0005

11.9743

0.0009

21.2062

0.0016

90

null

90

null

90

null

1,837.9

0.2

120

2

120

2

null

3

P 21 21 21

P 2ac 2ab

19

5-[N-(Benzotriazol-1-ylmethyl)amino]-3-tert-butyl-1-phenylpyrazole

- C20 H22 N6 -

- C80 H88 N24 -

4

1

SK1550

Glidewell, Christopher; Low, John N.; Cobo, Justo; Nogueras, Manuel; Sánchez, Adolfo; Rengifo, Emerson; Abonia, Rodrigo

5-[N-(1H-Benzotriazol-1-ylmethyl)amino]-3-tert-butyl-1-phenylpyrazole: sheets built from N—H···N, C—H···N and C—H···π(pyrazole) interactions

Acta Crystallographica Section C

2,002

58

6

o314

o317

10.1107/S0108270102006881

0.71073

MoKα

0.049

0.044

null

0.1048

0.1075

null

1.072

null

has coordinates

Glidewell, Christopher; Low, John N.; Cobo, Justo; Nogueras, Manuel; Sánchez, Adolfo; Rengifo, Emerson; Abonia, Rodrigo 5-[N-(1H-Benzotriazol-1-ylmethyl)amino]-3-tert-butyl-1-phenylpyrazole: sheets built from N—H···N, C—H···N and C—H···π(pyrazole) interactions Acta Crystallographica Section C 58(6)...

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$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/2/01/27/2012775.cif $ #-------------------------------------------------------------------...

2,012,776

20.79

0.0011

16.052

0.001

16.778

0.0009

90

null

105.604

0.004

90

null

5,392.8

0.5

150

2

150

2

null

5

C 1 2/c 1

-C 2yc

15

N,N'-Dithiodiphthalimide–1,4-dioxan (1/0.6)

- C55.2 H38.4 N6 O15.6 S6 -

- C220.8 H153.6 N24 O62.4 S24 -

4

0.5

SK1551

Bowes, Katharine F.; Ferguson, George; Glidewell, Christopher; Lough, Alan J.; Low, John N.; Zakaria, Choudhury M.

N,N'-Dithiobisphthalimide–1,4-dioxan (1/0.6): a C2/c solvate with disordered solvent molecules localized in channels

Acta Crystallographica Section C

2,002

58

6

o347

o350

10.1107/S0108270102007680

0.71073

MoKα

0.159

0.072

null

0.145

0.183

null

1.017

null

has coordinates,has disorder,has Fobs

Bowes, Katharine F.; Ferguson, George; Glidewell, Christopher; Lough, Alan J.; Low, John N.; Zakaria, Choudhury M. N,N'-Dithiobisphthalimide–1,4-dioxan (1/0.6): a C2/c solvate with disordered solvent molecules localized in channels Acta Crystallographica Section C 58(6) (2002) o347-o350

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$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/2/01/27/2012776.cif $ #-------------------------------------------------------------------...

2,012,777

11.0731

0.0005

7.3642

0.0003

22.9129

0.0011

90

null

111.456

0.002

90

null

1,738.94

0.14

298

2

298

2

null

4

P 1 21/c 1

-P 2ybc

14

2-Amino-4,6-bis(benzyloxy)-5-nitrosopyrimidine

- C18 H16 N4 O3 -

- C72 H64 N16 O12 -

4

1

SK1553

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

2-Amino-4,6-bis(benzyloxy)-5-nitrosopyrimidine: chains built from three-centre N—H···(N,O) and N—H···π(arene) hydrogen bonds

Acta Crystallographica Section C

2,002

58

6

o355

o358

10.1107/S0108270102008181

0.71073

MoKα

0.264

0.063

null

0.114

0.169

null

0.902

null

has coordinates,has Fobs

Quesada, Antonio; Low, John N.; Melguizo, Manuel; Nogueras, Manuel; Glidewell, Christopher 2-Amino-4,6-bis(benzyloxy)-5-nitrosopyrimidine: chains built from three-centre N—H···(N,O) and N—H···π(arene) hydrogen bonds Acta Crystallographica Section C 58(6) (2002) o355-o358

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$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/2/01/27/2012777.cif $ #-------------------------------------------------------------------...

2,012,778

4.0368

0.0003

7.7237

0.0004

10.1355

0.0005

84.607

0.004

80.825

0.005

75.318

0.005

301.31

0.03

293

2

293

2

null

5

P -1

-P 1

2

- C4 H8 Cd N6 S4 -

1

0.5

TA1373

Wang, Xin Qiang; Yu, Wen Tao; Xu, Dong; Lu, Meng Kai; Yuan, Duo Rong

catena-Poly[[bis(thiocyanato-κN)cadmium(II)]-di-μ-thiourea-κ^4^S:S]

Acta Crystallographica Section C

2,002

58

6

m336

m337

10.1107/S0108270102007631

0.71073

MoKα

0.0246

0.0222

null

0.0631

0.0649

null

1.144

null

has coordinates,has Fobs

Wang, Xin Qiang; Yu, Wen Tao; Xu, Dong; Lu, Meng Kai; Yuan, Duo Rong catena-Poly[[bis(thiocyanato-κN)cadmium(II)]-di-μ-thiourea-κ^4^S:S] Acta Crystallographica Section C 58(6) (2002) m336-m337

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/2/01/27/2012778.cif $ #-------------------------------------------------------------------...

2,012,779

8.6706

0.0005

8.5319

0.0006

13.3143

0.0009

90

null

103.84

0.001

90

null

956.35

0.11

303

2

303

2

null

4

P 1 21 1

P 2yb

4

6,6-Diphenyl-6,7-dihydro-5H-1,3,4,8-tetrathia-6-stannaazulene-2-thione

- C17 H14 S5 Sn -

- C34 H28 S10 Sn2 -

2

1

TR1026

Harrison, William T. A.; Howie, R. Alan; Skakle, Janet M. S.; Wardell, James L.

6,6-Diphenyl-6,7-dihydro-5H-1,3,4,8-tetrathia-6-stannazulene-2-thione and 6,6'-spirobi[6,7-dihydro-5H-1,3,4,8-tetrathia-6-stannazulene]-2,2'-dithione

Acta Crystallographica Section C

2,002

58

6

m351

m354

10.1107/S0108270102007898

0.71073

MoKα

0.05

0.042

null

0.11

0.118

null

1.037

null

has coordinates,has Fobs

Harrison, William T. A.; Howie, R. Alan; Skakle, Janet M. S.; Wardell, James L. 6,6-Diphenyl-6,7-dihydro-5H-1,3,4,8-tetrathia-6-stannazulene-2-thione and 6,6'-spirobi[6,7-dihydro-5H-1,3,4,8-tetrathia-6-stannazulene]-2,2'-dithione Acta Crystallographica Section C 58(6) (2002) m351-m354

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/2/01/27/2012779.cif $ #-------------------------------------------------------------------...

2,012,780

11.3973

0.0004

14.2749

0.0005

12.5609

0.0005

90

null

114.625

0.001

90

null

1,857.74

0.12

297

2

297

2

null

4

P 1 21/n 1

-P 2yn

14

6,6'-spirobi[6,7-dihydro-5H-1,3,4,8-tetrathia-6-stannaazulene]-2,2'-dithione

- C10 H8 S10 Sn -

- C40 H32 S40 Sn4 -

4

1

TR1026

Harrison, William T. A.; Howie, R. Alan; Skakle, Janet M. S.; Wardell, James L.

6,6-Diphenyl-6,7-dihydro-5H-1,3,4,8-tetrathia-6-stannazulene-2-thione and 6,6'-spirobi[6,7-dihydro-5H-1,3,4,8-tetrathia-6-stannazulene]-2,2'-dithione

Acta Crystallographica Section C

2,002

58

6

m351

m354

10.1107/S0108270102007898

0.71073

MoKα

0.047

0.033

null

0.083

0.091

null

1.011

null

has coordinates,has Fobs

Harrison, William T. A.; Howie, R. Alan; Skakle, Janet M. S.; Wardell, James L. 6,6-Diphenyl-6,7-dihydro-5H-1,3,4,8-tetrathia-6-stannazulene-2-thione and 6,6'-spirobi[6,7-dihydro-5H-1,3,4,8-tetrathia-6-stannazulene]-2,2'-dithione Acta Crystallographica Section C 58(6) (2002) m351-m354

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/2/01/27/2012780.cif $ #-------------------------------------------------------------------...

2,012,781

12.3178

0.0001

15.5281

0.0001

20.4617

0.0001

90

null

90

null

90

null

3,913.75

0.04

183

2

183

2

null

5

P 21 21 21

P 2ac 2ab

19

(Dibenzylsulfoxido-κO)bis(1,3-diphenylpropane-1,3-dionato- κ^2^O,O')dioxouranium(VI)

- C44 H36 O7 S U -

- C176 H144 O28 S4 U4 -

4

1

AV1108

Fun, Hoong-Kun; Kannan, S.; Usman, Anwar; Razak, Ibrahim Abdul; Chantrapromma, Suchada

(Dibenzyl sulfoxide-κO)bis(1,3-diphenylpropane-1,3-dionato-κ^2^O,O')dioxouranium(VI)

Acta Crystallographica Section C

2,002

58

7

m368

m370

10.1107/S010827010200848X

0.71073

MoKα

0.063

0.048

null

0.104

0.121

null

0.977

null

has coordinates,has Fobs

Fun, Hoong-Kun; Kannan, S.; Usman, Anwar; Razak, Ibrahim Abdul; Chantrapromma, Suchada (Dibenzyl sulfoxide-κO)bis(1,3-diphenylpropane-1,3-dionato-κ^2^O,O')dioxouranium(VI) Acta Crystallographica Section C 58(7) (2002) m368-m370

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$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/2/01/27/2012781.cif $ #-------------------------------------------------------------------...

2,012,782

11.053

0.002

7.409

0.002

17.956

0.004

90

null

100.16

0.02

90

null

1,447.4

0.6

293

2

293

2

null

3

P 1 21/n 1

-P 2yn

14

Bis(5-phenyltetrazol-2-yl)methane

- C15 H12 N8 -

- C60 H48 N32 -

4

1

AV1109

Lyakhov, Alexander S.; Gaponik, Pavel N.; Grigoriev, Yuri V.; Ivashkevich, Ludmila S.

Bis(5-phenyltetrazol-2-yl)methane

Acta Crystallographica Section C

2,002

58

7

o381

o383

10.1107/S0108270102008466

0.71069

MoKα

0.058

0.041

null

0.113

0.126

null

1.043

null

has coordinates,has Fobs

Lyakhov, Alexander S.; Gaponik, Pavel N.; Grigoriev, Yuri V.; Ivashkevich, Ludmila S. Bis(5-phenyltetrazol-2-yl)methane Acta Crystallographica Section C 58(7) (2002) o381-o383

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$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/2/01/27/2012782.cif $ #-------------------------------------------------------------------...

2,012,783

7.0863

0.0003

28.4885

0.0011

4.8336

0.0002

90

null

94.874

0.001

90

null

972.27

0.07

293

2

293

2

null

5

P 1 21/c 1

-P 2ybc

14

N-(2-hydroxyethyl)ethylenediammonium hydrogenphosphate monohydrate

- C4 H17 N2 O6 P -

- C16 H68 N8 O24 P4 -

4

1

AV1110

Demir, Selcuk; Yilmaz, Veysel T.; Andac, Omer; Harrison, William T. A.

N-(2-Hydroxyethyl)ethylenediammonium hydrogenphosphate monohydrate

Acta Crystallographica Section C

2,002

58

7

o407

o408

10.1107/S0108270102009629

0.71073

MoKα

0.038

0.032

null

0.088

0.091

null

1.103

null

has coordinates,has Fobs

Demir, Selcuk; Yilmaz, Veysel T.; Andac, Omer; Harrison, William T. A. N-(2-Hydroxyethyl)ethylenediammonium hydrogenphosphate monohydrate Acta Crystallographica Section C 58(7) (2002) o407-o408

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$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/2/01/27/2012783.cif $ #-------------------------------------------------------------------...

2,012,784

7.78

0.001

13.056

0.001

15.245

0.001

97.04

0.01

93.48

0.01

94.23

0.01

1,528.9

0.3

100

2

100

2

null

5

P -1

-P 1

2

Tetrakis(μ-3,4,5-triethoxybenzoato-κ^2^O:O')bis[(pyrazine- κN)rhodium(II)](Rh-Rh)

- C60 H76 N4 O20 Rh2 -

1

0.5

BK1651

Castro, Maria Ana; Chaia, Zulema D.; Piro, Oscar E.; Cukiernik, Fabio D.; Castellano, Eduardo E.; Rusjan, Marcia

A pyrazine bis-adduct of a binuclear rhodium(II) carboxylate containing 3,4,5-triethoxybenzoate as the equatorial ligand

Acta Crystallographica Section C

2,002

58

7

m393

m395

10.1107/S0108270102009460

0.71073

MoKα

0.04

0.034

null

0.083

0.087

null

1.056

null

has coordinates,has Fobs

Castro, Maria Ana; Chaia, Zulema D.; Piro, Oscar E.; Cukiernik, Fabio D.; Castellano, Eduardo E.; Rusjan, Marcia A pyrazine bis-adduct of a binuclear rhodium(II) carboxylate containing 3,4,5-triethoxybenzoate as the equatorial ligand Acta Crystallographica Section C 58(7) (2002) m393-m395

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$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/2/01/27/2012784.cif $ #-------------------------------------------------------------------...

2,012,785

11.66

0.001

17.164

0.002

17.102

0.002

90

null

92.75

0.02

90

null

3,418.7

0.6

90

2

293

2

null

5

P 1 21/n 1

-P 2yn

14

(3Z)-3-[1-(1,2-dimethyl-1H-indol-3-yl)-2,2,2- trifluoroethylidene]-4-(1-methylethylidene)dihydrofuran-2,5-dione

- C19 H16 F3 N O3 -

- C152 H128 F24 N8 O24 -

8

2

BK1655

Wolak, Mason A.; Finn, Robert C.; Rarig Jr, Randy S.; Thomas, Craig J.; Hammond, Robert P.; Birge, Robert R.; Zubieta, Jon; Lees, Watson J.

Structural properties of a series of photochromic fluorinated indolylfulgides

Acta Crystallographica Section C

2,002

58

7

o389

o393

10.1107/S0108270102008041

0.71073

MoKα

0.134

0.051

null

0.123

0.16

null

0.985

null

has coordinates,has Fobs

Wolak, Mason A.; Finn, Robert C.; Rarig Jr, Randy S.; Thomas, Craig J.; Hammond, Robert P.; Birge, Robert R.; Zubieta, Jon; Lees, Watson J. Structural properties of a series of photochromic fluorinated indolylfulgides Acta Crystallographica Section C 58(7) (2002) o389-o393

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$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/2/01/27/2012785.cif $ #-------------------------------------------------------------------...

2,012,786

9.539

0.001

16.716

0.001

11.72

0.001

90

null

92.9

0.01

90

null

1,866.4

0.3

90

2

293

2

null

5

P 1 21/c 1

-P 2ybc

14

(3Z)-3-[1-(1,2-dimethyl-1H-indol-3-yl)-2,2,3,3,3- pentafluoropropylidene]-4-(1-methylethylidene)dihydrofuran-2,5-dione

- C20 H16 F5 N O3 -

- C80 H64 F20 N4 O12 -

4

1

BK1655

Wolak, Mason A.; Finn, Robert C.; Rarig Jr, Randy S.; Thomas, Craig J.; Hammond, Robert P.; Birge, Robert R.; Zubieta, Jon; Lees, Watson J.

Structural properties of a series of photochromic fluorinated indolylfulgides

Acta Crystallographica Section C

2,002

58

7

o389

o393

10.1107/S0108270102008041

0.71073

MoKα

0.134

0.057

null

0.146

0.181

null

1.009

null

has coordinates,has Fobs

Wolak, Mason A.; Finn, Robert C.; Rarig Jr, Randy S.; Thomas, Craig J.; Hammond, Robert P.; Birge, Robert R.; Zubieta, Jon; Lees, Watson J. Structural properties of a series of photochromic fluorinated indolylfulgides Acta Crystallographica Section C 58(7) (2002) o389-o393

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$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/2/01/27/2012786.cif $ #-------------------------------------------------------------------...

2,012,787

10.07

0.002

11.003

0.002

11.266

0.002

93.75

0.03

111.33

0.03

115.8

0.02

1,008.9

0.5

93

2

293

2

null

5

P -1

-P 1

2

(3Z)-3-[1-(1,2-dimethyl-1H-indol-3-yl)-2,2,3,3,4,4,4- heptafluorobutylidene]-4-(1-methylethylidene)dihydrofuran-2,5-dione

- C21 H16 F7 N O3 -

- C42 H32 F14 N2 O6 -

2

1

BK1655

Wolak, Mason A.; Finn, Robert C.; Rarig Jr, Randy S.; Thomas, Craig J.; Hammond, Robert P.; Birge, Robert R.; Zubieta, Jon; Lees, Watson J.

Structural properties of a series of photochromic fluorinated indolylfulgides

Acta Crystallographica Section C

2,002

58

7

o389

o393

10.1107/S0108270102008041

0.71073

MoKα

0.088

0.054

null

0.135

0.152

null

1.029

null

has coordinates,has Fobs

Wolak, Mason A.; Finn, Robert C.; Rarig Jr, Randy S.; Thomas, Craig J.; Hammond, Robert P.; Birge, Robert R.; Zubieta, Jon; Lees, Watson J. Structural properties of a series of photochromic fluorinated indolylfulgides Acta Crystallographica Section C 58(7) (2002) o389-o393

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$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/2/01/27/2012787.cif $ #-------------------------------------------------------------------...

2,012,788

7.721

0.001

20.737

0.002

13.496

0.001

90

null

99.35

0.01

90

null

2,132.1

0.4

90

2

293

2

null

5

P 1 21/n 1

-P 2yn

14

(3Z)-3-[1-(1,2-dimethyl-1H-indol-3-yl)-2,2,2-trifluoroethylidene]- 4-(tricyclo[3.3.1.1^3,7^]decylidene)dihydrofuran-2,5-dione

- C26 H24 F3 N O3 -

- C104 H96 F12 N4 O12 -

4

1

BK1655

Wolak, Mason A.; Finn, Robert C.; Rarig Jr, Randy S.; Thomas, Craig J.; Hammond, Robert P.; Birge, Robert R.; Zubieta, Jon; Lees, Watson J.

Structural properties of a series of photochromic fluorinated indolylfulgides

Acta Crystallographica Section C

2,002

58

7

o389

o393

10.1107/S0108270102008041

0.71073

MoKα

0.073

0.056

null

0.132

0.14

null

1.094

null

has coordinates,has Fobs

Wolak, Mason A.; Finn, Robert C.; Rarig Jr, Randy S.; Thomas, Craig J.; Hammond, Robert P.; Birge, Robert R.; Zubieta, Jon; Lees, Watson J. Structural properties of a series of photochromic fluorinated indolylfulgides Acta Crystallographica Section C 58(7) (2002) o389-o393

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$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/2/01/27/2012788.cif $ #-------------------------------------------------------------------...

2,012,789

10.313

0.001

10.924

0.001

11.729

0.001

87.67

0.01

82.65

0.01

73.24

0.01

1,254.8

0.2

90

2

273

2

null

5

P -1

-P 1

2

(3Z)-3-[1-(1,2-dimethyl-1H-indol-3-yl)-2,2,3,3,4,4,4-heptafluorobutylidene]- 4-(tricyclo[3.3.1.1^3,7^]decylidene)dihydrofuran-2,5-dione

- C28 H24 F7 N O3 -

- C56 H48 F14 N2 O6 -

2

1

BK1655

Wolak, Mason A.; Finn, Robert C.; Rarig Jr, Randy S.; Thomas, Craig J.; Hammond, Robert P.; Birge, Robert R.; Zubieta, Jon; Lees, Watson J.

Structural properties of a series of photochromic fluorinated indolylfulgides

Acta Crystallographica Section C

2,002

58

7

o389

o393

10.1107/S0108270102008041

0.71073

MoKα

0.065

0.044

null

0.101

0.11

null

1.033

null

has coordinates,has Fobs

Wolak, Mason A.; Finn, Robert C.; Rarig Jr, Randy S.; Thomas, Craig J.; Hammond, Robert P.; Birge, Robert R.; Zubieta, Jon; Lees, Watson J. Structural properties of a series of photochromic fluorinated indolylfulgides Acta Crystallographica Section C 58(7) (2002) o389-o393

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$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/2/01/27/2012789.cif $ #-------------------------------------------------------------------...

2,012,790

19.523

0.004

9.2726

0.0019

9.939

0.002

90

null

90

null

90

null

1,799.2

0.6

293

2

120

2

null

6

P b c n

-P 2n 2ab

60

- C6 H15 Be F4 N2 O0.5 -

- C48 H120 Be8 F32 N16 O4 -

8

1

BM1497

Gerrard, Lee A.; Weller, Mark T.

Dabconium orthofluoroberyllate hemihydrate

Acta Crystallographica Section C

2,002

58

7

m407

m408

10.1107/S0108270102009654

0.71073

MoKα

0.0479

0.0432

null

0.113

0.117

null

1.07

null

has coordinates,has Fobs

Gerrard, Lee A.; Weller, Mark T. Dabconium orthofluoroberyllate hemihydrate Acta Crystallographica Section C 58(7) (2002) m407-m408

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$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/2/01/27/2012790.cif $ #-------------------------------------------------------------------...

2,012,791

8.4293

0.0002

18.833

0.0003

13.9401

0.0003

90

null

95.4144

0.0009

90

null

2,203.1

0.08

150

2

150

2

null

6

P 1 21/c 1

-P 2ybc

14

[2,6-Bis-(3,5-dimethylpyrazol-1-ylmethyl)pyridine]iodocopper(I) dichloromethane solvate

- C18 H23 Cl2 Cu I N5 -

- C72 H92 Cl8 Cu4 I4 N20 -

4

1

BM1500

Halcrow, Malcolm A.; Kilner, Colin A.

[2,6-Bis(3,5-dimethylpyrazol-1-ylmethyl)pyridine]iodocopper(I) dichloromethane solvate

Acta Crystallographica Section C

2,002

58

7

m424

m426

10.1107/S0108270102010053

0.71073

MoKα

0.046

0.034

null

0.083

0.088

null

1.021

null

has coordinates,has Fobs

Halcrow, Malcolm A.; Kilner, Colin A. [2,6-Bis(3,5-dimethylpyrazol-1-ylmethyl)pyridine]iodocopper(I) dichloromethane solvate Acta Crystallographica Section C 58(7) (2002) m424-m426

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/2/01/27/2012791.cif $ #-------------------------------------------------------------------...

2,012,792

5.296

0.002

6.359

0.001

16.238

0.004

80.93

0.01

81.8

0.03

72.92

0.02

513.5

0.3

293

2

293

2

null

5

P -1

-P 1

2

Sodium silver tricobalt diphosphate

- Ag0.58 Co3 Na1.42 O14 P4 -

- Ag0.576 Co3 Na1.424 O14 P4 -

- Ag1.152 Co6 Na2.848 O28 P8 -

2

1

BR1368

Bennazha, J.; Boukhari, Ali; Holt, Elizabeth M.

Sodium silver tricobalt bis(diphosphate) and sodium silver copper(II) diphosphate

Acta Crystallographica Section C

2,002

58

7

i87

i89

10.1107/S0108270102008922

0.71073

MoKα

0.05

0.04

null

0.101

0.107

null

1.048

null

has coordinates,has Fobs

Bennazha, J.; Boukhari, Ali; Holt, Elizabeth M. Sodium silver tricobalt bis(diphosphate) and sodium silver copper(II) diphosphate Acta Crystallographica Section C 58(7) (2002) i87-i89

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/2/01/27/2012792.cif $ #-------------------------------------------------------------------...

2,012,793

15.088

0.002

5.641

0.001

8.171

0.001

90

null

116.11

0.01

90

null

624.48

0.17

293

2

293

2

null

5

C 1 2/c 1

-C 2yc

15

Sodium silver copper(II) diphosphate

- Ag0.88 Cu Na1.12 O7 P2 -

- Ag0.876 Cu Na1.124 O7 P2 -

- Ag3.504 Cu4 Na4.496 O28 P8 -

4

0.5

BR1368

Bennazha, J.; Boukhari, Ali; Holt, Elizabeth M.

Sodium silver tricobalt bis(diphosphate) and sodium silver copper(II) diphosphate

Acta Crystallographica Section C

2,002

58

7

i87

i89

10.1107/S0108270102008922

0.71073

MoKα

0.06

0.049

null

0.152

0.161

null

1.204

null

has coordinates

Bennazha, J.; Boukhari, Ali; Holt, Elizabeth M. Sodium silver tricobalt bis(diphosphate) and sodium silver copper(II) diphosphate Acta Crystallographica Section C 58(7) (2002) i87-i89

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/2/01/27/2012793.cif $ #-------------------------------------------------------------------...

2,012,794

12.1975

0.001

12.9531

0.001

6.754

0.002

90

null

113.85

0.04

90

null

976

0.4

293

2

293

2

null

4

C 1 2/c 1

-C 2yc

15

sodium manganese arsenate(1.72/3.28/12)

- As3 Mn3.28 Na1.72 O12 -

- As12 Mn13.12 Na6.88 O48 -

4

0.5

BR1372

Brahim Ayed; Mohamed Krifa; Amor Haddad

Na~1.72~Mn~3.28~(AsO~4~)~3~

Acta Crystallographica Section C

2,002

58

7

i98

i100

10.1107/S010827010200882X

0.71073

MoKα

0.1166

0.0511

null

0.1174

0.1406

null

1.005

null

has coordinates,has Fobs

Brahim Ayed; Mohamed Krifa; Amor Haddad Na~1.72~Mn~3.28~(AsO~4~)~3~ Acta Crystallographica Section C 58(7) (2002) i98-i100

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/2/01/27/2012794.cif $ #-------------------------------------------------------------------...

2,012,795

29.781

0.0004

5.422

0.0001

9.8768

0.0002

90

null

96.618

0.001

90

null

1,584.21

0.05

293

2

293

2

null

6

C 1 2/c 1

-C 2yc

15

Gallium fluorophenylphosphonate

- C6 H5 F Ga O3 P -

- C48 H40 F8 Ga8 O24 P8 -

8

1

BR1373

Loiseau, Thierry; Neeraj, Sharma; Cheetham, Anthony K.

GaFPO~3~(C~6~H~5~): a new fluorinated gallium phenylphosphonate with a layered network

Acta Crystallographica Section C

2,002

58

7

m379

m381

10.1107/S0108270102008934

0.71073

MoKα

0.0515

0.0421

null

0.109

null

0.1043

null

1.097

null

1.141

null

has coordinates,has Fobs

Loiseau, Thierry; Neeraj, Sharma; Cheetham, Anthony K. GaFPO~3~(C~6~H~5~): a new fluorinated gallium phenylphosphonate with a layered network Acta Crystallographica Section C 58(7) (2002) m379-m381

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/2/01/27/2012795.cif $ #-------------------------------------------------------------------...

2,012,796

5.496

0.0002

5.496

0.0002

20.0873

0.0016

90

null

90

null

120

null

525.47

0.05

293

null

3

R -3 m :H

-R 3 2"

166

Magnesium nitridoboride

- B9 Mg N -

- B54 Mg6 N6 -

6

0.166667

BR1376

Mironov, Andrei; Kazakov, Sergei; Jun, Jan; Karpinski, Janusz

MgNB~9~, a new magnesium nitridoboride

Acta Crystallographica Section C

2,002

58

7

i95

i97

10.1107/S0108270102009253

0.71069

MoKα

0.017

null

0.035

null

1.05

null

has coordinates

Mironov, Andrei; Kazakov, Sergei; Jun, Jan; Karpinski, Janusz MgNB~9~, a new magnesium nitridoboride Acta Crystallographica Section C 58(7) (2002) i95-i97

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/2/01/27/2012796.cif $ #-------------------------------------------------------------------...

2,012,797

9.69

0.003

6.451

0.002

9.774

0.003

90

null

103.075

0.006

90

null

595.1

0.3

193

2

193

2

null

2

P 1 21/c 1

-P 2ybc

14

- Cl4 Ge -

- Cl16 Ge4 -

4

1

BR1378

Merz, Klaus; Driess, Matthias

Germanium(IV) chloride at 193K

Acta Crystallographica Section C

2,002

58

7

i101

i102

10.1107/S0108270102010351

0.71073

MoKα

0.0268

0.0255

null

0.0697

0.0714

null

1.272

null

has coordinates,has Fobs

Merz, Klaus; Driess, Matthias Germanium(IV) chloride at 193K Acta Crystallographica Section C 58(7) (2002) i101-i102

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$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/2/01/27/2012797.cif $ #-------------------------------------------------------------------...

2,012,798

8.6079

0.0012

8.9177

0.0011

16.717

0.003

90

null

93.841

0.013

90

null

1,280.4

0.3

293

2

293

2

null

6

P 1 21/c 1

-P 2ybc

14

Diaquabis(1,3-propanediamine-κ^2^N,N')nickel(II) bis(sulfanilate)

- C18 H36 N6 Ni O8 S2 -

- C36 H72 N12 Ni2 O16 S4 -

2

0.5

DE1184

Kim, Chong-Hyeak; Lee, Sueg-Geun

Diaquabis(1,3-propanediamine-κ^2^N,N')nickel(II) bis(sulfanilate)

Acta Crystallographica Section C

2,002

58

7

m421

m423

10.1107/S0108270102009897

0.71073

MoKα

0.032

0.03

null

0.082

0.084

null

1.055

null

has coordinates,has Fobs

Kim, Chong-Hyeak; Lee, Sueg-Geun Diaquabis(1,3-propanediamine-κ^2^N,N')nickel(II) bis(sulfanilate) Acta Crystallographica Section C 58(7) (2002) m421-m423

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$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/2/01/27/2012798.cif $ #-------------------------------------------------------------------...

2,012,799

9.363

0.0002

9.972

0.0005

11.127

0.0005

90

null

105.33

0.003

90

null

1,001.94

0.07

293

2

293

2

null

4

P 1 21 1

P 2yb

4

Boc-D-ALA-L-PIP-NH^i^Pr

1-(tert-butoxycarbonyl-D-alanyl)-N-isopropyl-L-pipecolamide

- C17 H31 N3 O4 -

- C34 H62 N6 O8 -

2

1

DN1009

Didierjean, Claude; Boussard, Guy; Aubry, André

A pipecolic acid (Pip)-containing dipeptide, Boc-D-Ala-L-Pip-NH^i^Pr

Acta Crystallographica Section C

2,002

58

7

o394

o396

10.1107/S0108270102008715

0.7107

MoKα

0.066

0.054

null

0.14

0.15

null

1.056

null

has coordinates,has disorder,has Fobs

Didierjean, Claude; Boussard, Guy; Aubry, André A pipecolic acid (Pip)-containing dipeptide, Boc-D-Ala-L-Pip-NH^i^Pr Acta Crystallographica Section C 58(7) (2002) o394-o396

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$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/2/01/27/2012799.cif $ #-------------------------------------------------------------------...

2,012,800

5.6203

0.0008

5.6203

0.0008

7.9983

0.001

90

null

90

null

120

null

218.8

0.05

293

2

293

2

null

5

P -3 m 1

-P 3 2"

164

dipotassium caesium ytterbium bis(phosphate)

- Cs K2 O8 P2 Yb -

1

0.083333

DN1010

Rghioui, Lotfi; El Ammari, Lahcen; Benarafa, Larbi; Wignacourt, Jean Pierre

K~2~CsYb(PO~4~)~2~

Acta Crystallographica Section C

2,002

58

7

i90

i91

10.1107/S0108270102008107

0.71073

MoKα

0.016

null

0.039

null

0.039

null

1.155

null

has coordinates,has Fobs

Rghioui, Lotfi; El Ammari, Lahcen; Benarafa, Larbi; Wignacourt, Jean Pierre K~2~CsYb(PO~4~)~2~ Acta Crystallographica Section C 58(7) (2002) i90-i91

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/28/2012800.cif $ #-------------------------------------------------------------------...

2,012,801

8.47

0.002

9.702

0.002

14.648

0.003

85.55

0.01

80.11

0.02

68.2

0.01

1,100.9

0.4

291

2

291

2

null

6

P -1

-P 1

2

μ-Cyano-1:2κ^2^C:N-tetracyano-1κ^4^C-(5-methyl-5-nitro-3,7-diazanonane- 1,9-diamine-2κ^4^N)-nitrosyl-1κN-copper(II)iron(II) dihydrate

- C13 H25 Cu Fe N11 O5 -

- C26 H50 Cu2 Fe2 N22 O10 -

2

1

FG1643

Shen, Liang; Zhang, Yi-Jian; Sheng, Guo-Ding; Wang, Hua-Tong

μ-Cyano-1:2κ^2^C:N-tetracyano-1κ^4^C-(5-methyl-5-nitro-3,7-diazanonane-1,9-diamine-2κ^4^N^1,3,7,9^)-nitrosyl-1κN-copper(II)iron(II) dihydrate

Acta Crystallographica Section C

2,002

58

7

m382

m384

10.1107/S0108270102009149

0.71073

MoKα

0.029

0.025

null

0.066

0.067

null

1.053

null

has coordinates,has Fobs

Shen, Liang; Zhang, Yi-Jian; Sheng, Guo-Ding; Wang, Hua-Tong μ-Cyano-1:2κ^2^C:N-tetracyano-1κ^4^C-(5-methyl-5-nitro-3,7-diazanonane-1,9-diamine-2κ^4^N^1,3,7,9^)-nitrosyl-1κN-copper(II)iron(II) dihydrate Acta Crystallographica Section C 58(7) (2002) m382-m384

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/2/01/28/2012801.cif $ #-------------------------------------------------------------------...

2,012,802

14.882

0.002

14.882

0.002

6.4052

0.0011

90

null

90

null

120

null

1,228.5

0.3

150

null

150

null

5

P -3

-P 3

147

[Fe(phox)~3~]

Tris[2-(2'-oxazolinyl)-phenolato]iron(II)

- C27 H24 Fe N3 O6 -

- C54 H48 Fe2 N6 O12 -

2

0.333333

FG1649

Kooijman, Huub; Spek, Anthony L.; Hoogenraad, Marcel; Bouwman, Elisabeth; Haasnoot, Jaap G.; Reedijk, Jan

Tris[2-(2-oxazolin-2-yl)phenolato]iron(III)

Acta Crystallographica Section C

2,002

58

7

m390

m392

10.1107/S0108270102009435

0.71073

MoKa

0.1151

0.0741

null

0.1514

0.1681

null

1.188

null

has coordinates,has Fobs

Kooijman, Huub; Spek, Anthony L.; Hoogenraad, Marcel; Bouwman, Elisabeth; Haasnoot, Jaap G.; Reedijk, Jan Tris[2-(2-oxazolin-2-yl)phenolato]iron(III) Acta Crystallographica Section C 58(7) (2002) m390-m392

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/2/01/28/2012802.cif $ #-------------------------------------------------------------------...

2,012,803

5.2885

0.0001

8.1643

0.0002

28.8446

0.0005

90

null

90

null

90

null

1,245.42

0.04

170

2

170

2

null

3

P 21 21 21

P 2ac 2ab

19

9-(4-vinylbenzyl)adenine

- C14 H13 N5 -

- C56 H52 N20 -

4

1

FR1366

Srivatsan, S. G.; Verma, Sandeep; Parvez, Masood

4-Vinylbenzyl analogs of adenine and uracil: reactive monomers for nucleobase polymeric resins

Acta Crystallographica Section C

2,002

58

7

o378

o380

10.1107/S0108270102007515

0.71073

MoKα

0.046

0.039

null

0.106

0.111

null

1.04

null

has coordinates,has Fobs

Srivatsan, S. G.; Verma, Sandeep; Parvez, Masood 4-Vinylbenzyl analogs of adenine and uracil: reactive monomers for nucleobase polymeric resins Acta Crystallographica Section C 58(7) (2002) o378-o380

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$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/2/01/28/2012803.cif $ #-------------------------------------------------------------------...

2,012,804

5.9603

0.0002

7.0132

0.0002

25.9571

0.0009

90

null

90

null

90

null

1,085.03

0.06

170

2

170

2

null

4

P 21 21 21

P 2ac 2ab

19

1-(4-vinylbenzyl)uracil

- C13 H12 N2 O2 -

- C52 H48 N8 O8 -

4

1

FR1366

Srivatsan, S. G.; Verma, Sandeep; Parvez, Masood

4-Vinylbenzyl analogs of adenine and uracil: reactive monomers for nucleobase polymeric resins

Acta Crystallographica Section C

2,002

58

7

o378

o380

10.1107/S0108270102007515

0.71073

MoKα

0.077

0.054

null

0.12

0.135

null

1

null

has coordinates,has Fobs

Srivatsan, S. G.; Verma, Sandeep; Parvez, Masood 4-Vinylbenzyl analogs of adenine and uracil: reactive monomers for nucleobase polymeric resins Acta Crystallographica Section C 58(7) (2002) o378-o380

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$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/2/01/28/2012804.cif $ #-------------------------------------------------------------------...

2,012,805

12.375

0.002

15.248

0.002

14.119

0.002

90

null

90

null

90

null

2,664.2

0.7

180.2

null

180.2

null

6

P n a 21

P 2c -2n

33

Di-μ-methoxy-bis[(η^5^-cyclopentadienyl)(nitrosyl- κN)(trimethylsilylmethyl)molybdenum(III)]

- C20 H38 Mo2 N2 O4 Si2 -

- C80 H152 Mo8 N8 O16 Si8 -

4

1

FR1372

Trevor W. Hayton; Peter Legzdins; Steven J. Rettig

Di-μ-methoxy-bis[(η^5^-cyclopentadienyl)(nitrosyl-κN)(trimethylsilylmethyl)molybdenum(II)]

Acta Crystallographica Section C

2,002

58

7

m377

m378

10.1107/S010827010200865X

0.71069

MoKα

0.073

0.037

null

0.063

null

0.063

null

1.215

null

1.215

null

has coordinates,has Fobs

Trevor W. Hayton; Peter Legzdins; Steven J. Rettig Di-μ-methoxy-bis[(η^5^-cyclopentadienyl)(nitrosyl-κN)(trimethylsilylmethyl)molybdenum(II)] Acta Crystallographica Section C 58(7) (2002) m377-m378

176,760

2020-10-21

18:00:00

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2,012,806

8.3016

0.0009

11.8473

0.0018

14.3024

0.0009

93.896

0.008

99.206

0.007

100.562

0.01

1,358.1

0.3

298

2

298

2

null

7

P -1

-P 1

2

Bis(thiourea)chlorocopper(I) di(4,5-Diazafluoren-9-one) monohydrate

- C24 H22 Cl Cu N8 O3 S2 -

- C48 H44 Cl2 Cu2 N16 O6 S4 -

2

1

FR1373

Wu, Zhiyong; Xu, Duanjun; Wu, Jingyun; Chiang, Michael Y.

Chlorobis(thiourea-κS)copper(I) bis(4,5-diazafluoren-9-one) monohydrate

Acta Crystallographica Section C

2,002

58

7

m374

m376

10.1107/S0108270102009022

0.71069

MoKα

0.0828

0.042

null

0.1125

0.1324

null

1.019

null

has coordinates,has Fobs

Wu, Zhiyong; Xu, Duanjun; Wu, Jingyun; Chiang, Michael Y. Chlorobis(thiourea-κS)copper(I) bis(4,5-diazafluoren-9-one) monohydrate Acta Crystallographica Section C 58(7) (2002) m374-m376

176,760

2020-10-21

18:00:00

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2,012,807

6.699

0.002

11.409

0.003

11.764

0.003

90

null

94.98

0.02

90

null

895.7

0.4

296

2

296

2

null

3

P 1 21 1

P 2yb

4

(+)-3,11-Dioxoandrost-4-ene-17β-carboxylic acid

- C20 H26 O4 -

- C40 H52 O8 -

2

1

FR1378

Newman, Jacob M.; Lalancette, Roger A.; Thompson, Hugh W.

(+)-3,11-Dioxoandrost-4-ene-17β-carboxylic acid: catemeric hydrogen bonding in a steroidal keto acid

Acta Crystallographica Section C

2,002

58

7

o402

o404

10.1107/S0108270102009393

0.71073

MoKα

0.063

0.041

null

0.077

0.085

null

1.07

null

has coordinates,has Fobs

Newman, Jacob M.; Lalancette, Roger A.; Thompson, Hugh W. (+)-3,11-Dioxoandrost-4-ene-17β-carboxylic acid: catemeric hydrogen bonding in a steroidal keto acid Acta Crystallographica Section C 58(7) (2002) o402-o404

301,798

2025-08-19

6:41:50

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2,012,808

17.1668

0.0003

17.1668

0.0003

12.2545

0.0003

90

null

90

null

90

null

3,611.39

0.13

83

2

83

2

null

4

I -4

82

Mn12-acetate

hexadeca-μ-acetato-tetraaquadodeca-μ~3~-oxo-dodecamanganese acetic acid disolvate tetrahydrate

- C36 H72 Mn12 O56 -

- C72 H144 Mn24 O112 -

2

0.25

GD1192

Cornia, Andrea; Fabretti, Antonio Costantino; Sessoli, Roberta; Sorace, Lorenzo; Gatteschi, Dante; Barra, Anne-Laure; Daiguebonne, Carole; Roisnel, Thierry

Disorder effects in Mn~12~‒acetate at 83K

Acta Crystallographica Section C

2,002

58

7

m371

m373

10.1107/S0108270102009010

0.71073

MoKα

0.033

0.03

null

0.071

0.073

null

1.127

null

has coordinates,has disorder,has Fobs

Cornia, Andrea; Fabretti, Antonio Costantino; Sessoli, Roberta; Sorace, Lorenzo; Gatteschi, Dante; Barra, Anne-Laure; Daiguebonne, Carole; Roisnel, Thierry Disorder effects in Mn~12~‒acetate at 83K Acta Crystallographica Section C 58(7) (2002) m371-m373

176,760

2020-10-21

18:00:00

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2,012,809

15.721

0.0019

6.8582

0.0008

8.2338

0.001

90

null

90

null

90

null

887.75

0.18

173

2

173

2

null

3

P n m a

-P 2ac 2n

62

2,4,6-Trimethylphenyl isocyanide

- C10 H11 N -

- C40 H44 N4 -

4

0.5

GD1206

Fernandes, Manuel A.; Layh, Marcus; Omondi, Bernard

2,4,6-Trimethylphenyl isocyanide

Acta Crystallographica Section C

2,002

58

7

o384

o385

10.1107/S0108270102008491

0.71073

MoKα

0.121

0.046

null

0.095

0.115

null

0.913

null

has coordinates,has Fobs

Fernandes, Manuel A.; Layh, Marcus; Omondi, Bernard 2,4,6-Trimethylphenyl isocyanide Acta Crystallographica Section C 58(7) (2002) o384-o385

176,760

2020-10-21

18:00:00

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2,012,810

27.679

0.011

8.126

0.004

18.776

0.009

90

null

129.15

0.06

90

null

3,275

4

293

2

293

2

null

4

C 1 2/c 1

-C 2yc

15

4,5-Dihydro-3-methyl-5-(4-methylphenyl)-1H-pyrazole-1-carboxamidinium acetate acetone hemisolvate

- C15.5 H23 N4 O2.5 -

- C124 H184 N32 O20 -

8

1

GD1208

Kettmann, Viktor; Světlík, Jan

4,5-Dihydro-3-methyl-5-(4-methylphenyl)-1H-pyrazole-1-carboxamidinium acetate acetone hemisolvate

Acta Crystallographica Section C

2,002

58

7

o423

o424

10.1107/S010827010200937X

0.71073

MoKα

0.1174

0.0726

null

0.1933

0.2291

null

1.001

null

has coordinates,has Fobs

Kettmann, Viktor; Světlík, Jan 4,5-Dihydro-3-methyl-5-(4-methylphenyl)-1H-pyrazole-1-carboxamidinium acetate acetone hemisolvate Acta Crystallographica Section C 58(7) (2002) o423-o424

176,760

2020-10-21

18:00:00

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2,012,811

16.892

0.005

20.624

0.006

10.854

0.003

90

null

115.267

0.005

90

null

3,419.6

1.7

150

2

150

2

null

6

C 1 2/c 1

-C 2yc

15

Aquachlorobis[4,4,5,5-tetramethyl-2-(2-pyridyl)-4,5-dihydro-1H-imidazol-1-oxyl 3-oxide-κ^2^O^1^,N^2^]nickel(II) nitrate methanol disolvate monohydrate

- C26 H44 Cl N7 Ni O11 -

- C104 H176 Cl4 N28 Ni4 O44 -

4

0.5

GG1109

Lewis, Gareth R.; Blake, Alexander J.

Aquachlorobis[4,4,5,5-tetramethyl-2-(2-pyridyl)-4,5-dihydro-1H-imidazol-1-oxyl 3-oxide-κ^2^O^1^,N^2^]nickel(II) nitrate methanol disolvate monohydrate

Acta Crystallographica Section C

2,002

58

7

m398

m400

10.1107/S0108270102008831

0.71073

MoKα

0.076

0.066

null

0.188

0.198

null

1.072

null

has coordinates,has disorder,has Fobs

Lewis, Gareth R.; Blake, Alexander J. Aquachlorobis[4,4,5,5-tetramethyl-2-(2-pyridyl)-4,5-dihydro-1H-imidazol-1-oxyl 3-oxide-κ^2^O^1^,N^2^]nickel(II) nitrate methanol disolvate monohydrate Acta Crystallographica Section C 58(7) (2002) m398-m400

176,432

2020-10-21

18:00:00

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2,012,812

11.959

0.002

10.303

0.002

21.489

0.004

90

null

145.05

0.03

90

null

1,516.8

1.2

293

2

293

2

null

4

P 1 21/c 1

-P 2ybc

14

1-benzyl-5-oxo-2-phenylpyrrolidine-2-carboxamide

- C18 H18 N2 O2 -

- C72 H72 N8 O8 -

4

1

GG1112

Karapetyan, Harutyun; Tamazyan, Rafael; Martirisyan, Ashot; Hovhannesyan, Vahagn; Gasparyan, Sahak

1-Substituted derivatives of 2-aryl-5-oxopyrrolidine-2-carboxylic acid

Acta Crystallographica Section C

2,002

58

7

o399

o401

10.1107/S0108270102009241

0.71073

MoKα

0.117

0.048

null

0.101

0.121

null

1.009

null

has coordinates,has Fobs

Karapetyan, Harutyun; Tamazyan, Rafael; Martirisyan, Ashot; Hovhannesyan, Vahagn; Gasparyan, Sahak 1-Substituted derivatives of 2-aryl-5-oxopyrrolidine-2-carboxylic acid Acta Crystallographica Section C 58(7) (2002) o399-o401

301,798

2025-08-19

6:41:50

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2,012,813

7.5182

0.0015

25.125

0.005

10.612

0.002

90

null

106.07

0.03

90

null

1,926.2

0.7

293

2

293

2

null

4

P 1 21/c 1

-P 2ybc

14

2-(4-isopropoxyphenyl)-5-oxo-1-(4-tolyl)pyrrolidine-2-carbonitrile

- C21 H22 N2 O2 -

- C84 H88 N8 O8 -

4

1

GG1112

Karapetyan, Harutyun; Tamazyan, Rafael; Martirisyan, Ashot; Hovhannesyan, Vahagn; Gasparyan, Sahak

1-Substituted derivatives of 2-aryl-5-oxopyrrolidine-2-carboxylic acid

Acta Crystallographica Section C

2,002

58

7

o399

o401

10.1107/S0108270102009241

0.71073

MoKα

0.087

0.049

null

0.115

0.142

null

1.047

null

has coordinates,has Fobs

Karapetyan, Harutyun; Tamazyan, Rafael; Martirisyan, Ashot; Hovhannesyan, Vahagn; Gasparyan, Sahak 1-Substituted derivatives of 2-aryl-5-oxopyrrolidine-2-carboxylic acid Acta Crystallographica Section C 58(7) (2002) o399-o401

301,798

2025-08-19

6:41:50

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2,012,814

10.661

0.002

11.69

0.002

20.698

0.004

90

null

138.6

0.03

90

null

1,705.9

1.2

293

2

293

2

null

5

P 1 21/c 1

-P 2ybc

14

1-(2-chlorobenzoyl)-2-phenylpyrrolidine-2-carboxamide

- C18 H17 Cl N2 O2 -

- C72 H68 Cl4 N8 O8 -

4

1

GG1113

Tamazyan, Rafael; Karapetyan, Harutyun; Martirisyan, Ashot; Hovhannesyan, Vahagn; Gasparyan, Sahak

1-Substituted derivatives of 2-phenylpyrrolidine-2-carboxamide

Acta Crystallographica Section C

2,002

58

7

o386

o388

10.1107/S0108270102008636

0.71073

MoKα

0.094

0.048

null

0.124

0.148

null

0.951

null

0.951

null

has coordinates,has Fobs

Tamazyan, Rafael; Karapetyan, Harutyun; Martirisyan, Ashot; Hovhannesyan, Vahagn; Gasparyan, Sahak 1-Substituted derivatives of 2-phenylpyrrolidine-2-carboxamide Acta Crystallographica Section C 58(7) (2002) o386-o388

301,798

2025-08-19

6:41:50

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2,012,815

12.665

0.003

12.214

0.002

9.3453

0.0019

90

null

91.98

0.03

90

null

1,444.8

0.5

293

2

293

2

null

4

P 1 21/c 1

-P 2ybc

14

1-(2-furoyl)-2-phenylpyrrolidine-2-carboxamide

- C16 H16 N2 O3 -

- C64 H64 N8 O12 -

4

1

GG1113

Tamazyan, Rafael; Karapetyan, Harutyun; Martirisyan, Ashot; Hovhannesyan, Vahagn; Gasparyan, Sahak

1-Substituted derivatives of 2-phenylpyrrolidine-2-carboxamide

Acta Crystallographica Section C

2,002

58

7

o386

o388

10.1107/S0108270102008636

0.71073

MoKα

0.046

0.037

null

0.117

null

0.125

null

1.005

null

1.005

null

has coordinates,has Fobs

Tamazyan, Rafael; Karapetyan, Harutyun; Martirisyan, Ashot; Hovhannesyan, Vahagn; Gasparyan, Sahak 1-Substituted derivatives of 2-phenylpyrrolidine-2-carboxamide Acta Crystallographica Section C 58(7) (2002) o386-o388

301,798

2025-08-19

6:41:50

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2,012,816

8.1782

0.0018

32.06

0.012

8.709

0.003

90

null

94.68

0.03

90

null

2,275.8

1.3

293

2

null

6

P 1 21/c 1

-P 2ybc

14

- C42 H56 Ni O4 P2 S4 -

- C84 H112 Ni2 O8 P4 S8 -

2

0.5

GG1114

Özcan, Yusuf; Ide, Semra; Karakus̨, Mehmet; Yılmaz, Hamza

trans-Bis[O-2,4-di-tert-butylphenyl (4-methoxyphenyl)dithiophosphonato-κ^2^S,S']nickel(II)

Acta Crystallographica Section C

2,002

58

7

m388

m389

10.1107/S0108270102008764

0.71073

MoKα

null

0.0498

null

0.1409

null

0.991

null

has coordinates

Özcan, Yusuf; Ide, Semra; Karakus̨, Mehmet; Yılmaz, Hamza trans-Bis[O-2,4-di-tert-butylphenyl (4-methoxyphenyl)dithiophosphonato-κ^2^S,S']nickel(II) Acta Crystallographica Section C 58(7) (2002) m388-m389

176,760

2020-10-21

18:00:00

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2,012,817

15.698

0.003

15.337

0.003

19.957

0.004

90

null

90

null

90

null

4,804.9

1.6

120

null

120

null

7

P n m a

-P 2ac 2n

62

[Bis(2-diphenylphosphinoethyl) sulfide-κ^3^P,S,P'](triphenylphosphine- κP)platinum(II) diperchlorate acetone solvate

- C49 H49 Cl2 O9 P3 Pt S -

- C196 H196 Cl8 O36 P12 Pt4 S4 -

4

0.5

GG1116

Andreasen, Lars V.; Hazell, Alan; Wernberg, Ole

[Bis(2-diphenylphosphinoethyl) sulfide-κ^3^P,S,P'](triphenylphosphine-κP)platinum(II) diperchlorate acetone solvate

Acta Crystallographica Section C

2,002

58

7

m385

m387

10.1107/S0108270102009186

0.71073

MoKα

null

0.032

null

0.036

null

0.992

null

has coordinates,has Fobs

Andreasen, Lars V.; Hazell, Alan; Wernberg, Ole [Bis(2-diphenylphosphinoethyl) sulfide-κ^3^P,S,P'](triphenylphosphine-κP)platinum(II) diperchlorate acetone solvate Acta Crystallographica Section C 58(7) (2002) m385-m387

176,760

2020-10-21

18:00:00

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2,012,818

7.7405

0.0002

8.3297

0.0002

11.3317

0.0003

82.257

0.0009

71.5605

0.0008

62.7543

0.001

616.17

0.03

120

2

120

2

null

5

P -1

-P 1

2

N-(2-Iodobenzylidene)-3-nitroaniline

- C13 H9 I N2 O2 -

- C26 H18 I2 N4 O4 -

2

1

GG1119

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

N-(2-Iodobenzylidene)-3-nitroaniline: sheets formed by a combination of C—H···O hydrogen bonds and two aromatic π–π-stacking interactions

Acta Crystallographica Section C

2,002

58

7

o428

o430

10.1107/S0108270102008624

0.71073

MoKα

0.03

0.028

null

0.067

0.068

null

1.069

null

has coordinates,has Fobs

Wardell, James L.; Wardell, Solange M. S. V.; Skakle, Janet M. S.; Low, John N.; Glidewell, Christopher N-(2-Iodobenzylidene)-3-nitroaniline: sheets formed by a combination of C—H···O hydrogen bonds and two aromatic π–π-stacking interactions Acta Crystallographica Section C 58(7) (2002) o428-o430

301,798

2025-08-19

6:41:50

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2,012,819

5.9376

0.0004

5.9376

0.0004

22.0966

0.0009

90

null

90

null

120

null

674.65

0.07

293

null

293

null

4

R -3 m :H

-R 3 2"

166

Tl3 H (SO4)2

Trithallium hydrogen bis(sulfate)

- H O8 S2 Tl3 -

- O8 S2 Tl3 -

- O24 S6 Tl9 -

3

0.083333

IZ1021

Matsuo, Yasumitsu; Kawachi, Shinya; Shimizu, Yuya; Ikehata, Seiichiro

Trithallium hydrogen bis(sulfate), Tl~3~H(SO~4~)~2~, in the super-ionic phase by X-ray powder diffraction

Acta Crystallographica Section C

2,002

58

7

i92

i94

10.1107/S0108270102008569

1.54184

CuKα

null

1.23

null

has coordinates

Matsuo, Yasumitsu; Kawachi, Shinya; Shimizu, Yuya; Ikehata, Seiichiro Trithallium hydrogen bis(sulfate), Tl~3~H(SO~4~)~2~, in the super-ionic phase by X-ray powder diffraction Acta Crystallographica Section C 58(7) (2002) i92-i94

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/2/01/28/2012819.cif $ #-------------------------------------------------------------------...

2,012,820

9.5024

0.0006

12.6678

0.0007

14.637

0.001

95.929

0.005

106.777

0.005

104.1

0.005

1,607.25

0.19

173

2

173

2

null

6

P -1

-P 1

2

Bis(tetra-n-butylammonium) di-μ-chloro-bis[(tetramethyl buta-1,3-diene-1,2,3,4-tetracarboxylato-κ^2^C^1^,C^4^)palladium(0)]

- C56 H96 Cl2 N2 O16 Pd2 -

1

0.5

LN1139

Pérez, José; García, Luis; Serrano, Jose Luis; Pérez, Eduardo; Sánchez, Gregorio; Vives, Jorge

Bis(tetra-n-butylammonium) di-μ-chloro-bis[(tetramethyl buta-1,3-diene-1,2,3,4-tetracarboxylato-κ^2^C^1^,C^4^)palladium]

Acta Crystallographica Section C

2,002

58

7

m404

m406

10.1107/S0108270102009642

0.71073

MoKα

0.026

0.022

null

0.054

0.055

null

1.031

null

has coordinates,has Fobs

Pérez, José; García, Luis; Serrano, Jose Luis; Pérez, Eduardo; Sánchez, Gregorio; Vives, Jorge Bis(tetra-n-butylammonium) di-μ-chloro-bis[(tetramethyl buta-1,3-diene-1,2,3,4-tetracarboxylato-κ^2^C^1^,C^4^)palladium] Acta Crystallographica Section C 58(7) (2002) m404-m406

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/2/01/28/2012820.cif $ #-------------------------------------------------------------------...

2,012,821

27.4797

0.0002

6.7734

0.0002

7.4212

0.0005

90

null

92.026

0.001

90

null

1,380.45

0.1

293

2

293

2

null

3

C 1 2/c 1

-C 2yc

15

N,N'-diphenyl-1,4-benzoquinonediamine

- C18 H14 N2 -

- C72 H56 N8 -

4

0.5

NA1567

Gawlicka-Chruszcz, Anna; Stadnicka, Katarzyna

A comparative study of intermolecular interactions in the crystal structures of phenyl/phenyl end-capped oligoanilines

Acta Crystallographica Section C

2,002

58

7

o416

o420

10.1107/S0108270102009472

0.71073

MoKα

0.087

0.062

null

0.152

0.17

null

1.113

null

has coordinates,has Fobs

Gawlicka-Chruszcz, Anna; Stadnicka, Katarzyna A comparative study of intermolecular interactions in the crystal structures of phenyl/phenyl end-capped oligoanilines Acta Crystallographica Section C 58(7) (2002) o416-o420

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$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/2/01/28/2012821.cif $ #-------------------------------------------------------------------...

2,012,822

25.678

0.004

7.4815

0.0013

6.9588

0.0012

90

null

90

null

90

null

1,336.9

0.4

295

2

295

2

null

3

P b c a

-P 2ac 2ab

61

N,N'-diphenyl-1,4-phenylenediamine

- C18 H16 N2 -

- C72 H64 N8 -

4

0.5

NA1567

Gawlicka-Chruszcz, Anna; Stadnicka, Katarzyna

A comparative study of intermolecular interactions in the crystal structures of phenyl/phenyl end-capped oligoanilines

Acta Crystallographica Section C

2,002

58

7

o416

o420

10.1107/S0108270102009472

0.71073

MoKα

0.077

0.049

null

0.121

0.133

null

1.144

null

has coordinates,has Fobs

Gawlicka-Chruszcz, Anna; Stadnicka, Katarzyna A comparative study of intermolecular interactions in the crystal structures of phenyl/phenyl end-capped oligoanilines Acta Crystallographica Section C 58(7) (2002) o416-o420

301,798

2025-08-19

6:41:50

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2,012,823

10.9886

0.0004

12.3322

0.0004

11.9612

0.0005

90

null

112.829

0.0002

90

null

1,493.93

0.1

293

2

293

2

null

5

P 1 21/a 1

-P 2yab

14

N,N'-diphenyl-1,4-phenylenediammonium bis(4-toluenesulfonate)

- C32 H32 N2 O6 S2 -

- C64 H64 N4 O12 S4 -

2

0.5

NA1567

Gawlicka-Chruszcz, Anna; Stadnicka, Katarzyna; N,N'-diphenyl-1,4-phenylenediammonium bis(4-toluenesulfonate)

A comparative study of intermolecular interactions in the crystal structures of phenyl/phenyl end-capped oligoanilines

Acta Crystallographica Section C

2,002

58

7

o416

o420

10.1107/S0108270102009472

0.71073

MoKα

0.081

0.066

null

0.176

0.196

null

0.965

null

has coordinates,has Fobs

Gawlicka-Chruszcz, Anna; Stadnicka, Katarzyna; N,N'-diphenyl-1,4-phenylenediammonium bis(4-toluenesulfonate) A comparative study of intermolecular interactions in the crystal structures of phenyl/phenyl end-capped oligoanilines Acta Crystallographica Section C 58(7) (2002) o416-o420

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$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/2/01/28/2012823.cif $ #-------------------------------------------------------------------...

2,012,824

8.312

0.002

10.611

0.001

23.595

0.002

90

null

90.76

0.01

90

null

2,080.9

0.6

293

2

293

2

null

5

P 1 21/n 1

-P 2yn

14

(E)-3-{[(diphenyloxyphosphoryl)methylhydrazono]methyl}-4H-1-benzopyran-4-one

- C23 H19 N2 O5 P -

- C92 H76 N8 O20 P4 -

4

1

NA1572

Rybarczyk-Pirek, Agnieszka J.; Małecka, Magdalena; Grabowski, Sławomir J.; Nawrot-Modranka, Jolanta

A benzopyran derivative substituted at position 3

Acta Crystallographica Section C

2,002

58

7

o405

o406

10.1107/S0108270102008508

0.71073

MoKα

0.059

0.039

null

0.124

0.13

null

1.138

null

has coordinates

Rybarczyk-Pirek, Agnieszka J.; Małecka, Magdalena; Grabowski, Sławomir J.; Nawrot-Modranka, Jolanta A benzopyran derivative substituted at position 3 Acta Crystallographica Section C 58(7) (2002) o405-o406

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$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/2/01/28/2012824.cif $ #-------------------------------------------------------------------...

2,012,825

6.412

0.001

14.569

0.002

19.144

0.003

90

null

105.02

0.01

90

null

1,727.3

0.5

293

2

293

2

null

4

P 1 21/c 1

-P 2ybc

14

exo-Tricyclo[5.2.1.0^2,6^]deca-4,8-dienyl-3-endoacetaldehyde 2,4-dinitrophenylhydrazone

2-(exo-Tricyclo[5.2.1.0^2,6^]deca-4,8-dien-3-endo-yl)acetaldehyde 2,4-dinitrophenylhydrazone

- C18 H18 N4 O4 -

- C72 H72 N16 O16 -

4

1

NA1574

Abdul Ajees, A.; Palani, N.; Balasubramanian, K. K.

2-(exo-Tricyclo[5.2.1.0^2,6^]deca-4,8-dien-3-endo-yl)acetaldehyde 2,4-dinitrophenylhydrazone

Acta Crystallographica Section C

2,002

58

7

o433

o435

10.1107/S010827010200968X

1.5418

CuKα

0.112

0.067

null

0.183

0.214

null

1.024

null

has coordinates,has Fobs

Abdul Ajees, A.; Palani, N.; Balasubramanian, K. K. 2-(exo-Tricyclo[5.2.1.0^2,6^]deca-4,8-dien-3-endo-yl)acetaldehyde 2,4-dinitrophenylhydrazone Acta Crystallographica Section C 58(7) (2002) o433-o435

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$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/2/01/28/2012825.cif $ #-------------------------------------------------------------------...

2,012,826

8.8713

0.0002

18.5116

0.0001

22.1042

0.0005

90

null

90

null

90

null

3,629.99

0.12

293

2

293

2

null

6

P b c a

-P 2ac 2ab

61

Tetraaqua(1,10-phenanthroline-κ^2^N,N')manganese(II) sulfate dihydrate

- C12 H20 Mn N2 O10 S -

- C96 H160 Mn8 N16 O80 S8 -

8

1

NA1575

Ma, Chengbing; Chen, Feng; Zhang, Xiaofeng; Chen,Changneng; Liu, Qiutian

Tetraaqua(1,10-phenanthroline-κ^2^N,N')manganese(II) sulfate dihydrate

Acta Crystallographica Section C

2,002

58

7

m401

m403

10.1107/S0108270102009320

0.71073

MoKα

null

0.0383

null

0.0832

0.0967

null

1.043

null

has coordinates,has Fobs

Ma, Chengbing; Chen, Feng; Zhang, Xiaofeng; Chen,Changneng; Liu, Qiutian Tetraaqua(1,10-phenanthroline-κ^2^N,N')manganese(II) sulfate dihydrate Acta Crystallographica Section C 58(7) (2002) m401-m403

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$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/2/01/28/2012826.cif $ #-------------------------------------------------------------------...

2,012,827

15.2278

0.0008

15.8992

0.0005

8.5558

0.0003

90

null

97.586

0.0011

90

null

2,053.31

0.14

120

2

120

2

null

4

P 1 21/c 1

-P 2ybc

14

Ethyl N-[2-benzylamino-6-benzyloxy-5-nitrosopyrimidin-4-yl]glycinate

- C22 H23 N5 O4 -

- C88 H92 N20 O16 -

4

1

NA1576

Low, John N.; Glidewell, Christopher; Quesada, Antonio; Nogueras, Manuel; Sánchez, Adolfo

Ethyl N-(2-benzylamino-6-benzyloxy-5-nitrosopyrimidin-4-yl)glycinate: sheets built from a three-centre N—H···(N,O), and two-centre C—H···O and C—H···π(arene) hydrogen bonds

Acta Crystallographica Section C

2,002

58

7

o425

o427

10.1107/S0108270102009575

0.71073

MoKα

0.1684

0.0689

null

0.1373

0.1761

null

1.037

null

has coordinates,has Fobs

Low, John N.; Glidewell, Christopher; Quesada, Antonio; Nogueras, Manuel; Sánchez, Adolfo Ethyl N-(2-benzylamino-6-benzyloxy-5-nitrosopyrimidin-4-yl)glycinate: sheets built from a three-centre N—H···(N,O), and two-centre C—H···O and C—H···π(arene) hydrogen bonds Acta Crystallographica Section C 58(7) (2002) o425...

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$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/2/01/28/2012827.cif $ #-------------------------------------------------------------------...

2,012,828

5.225

0.001

6.166

0.001

7.079

0.001

84.03

0.03

76.88

0.03

77.81

0.03

216.73

0.07

295

2

293

2

null

3

P -1

-P 1

2

3-amino-1,2,4-triazine

- C3 H4 N4 -

- C6 H8 N8 -

2

1

NA1577

Perpétuo, Genivaldo Julio; Janczak, Jan

3-Amino-1,2,4-triazine

Acta Crystallographica Section C

2,002

58

7

o431

o432

10.1107/S0108270102009733

0.71073

MoKα

0.059

0.034

null

0.07

0.083

null

1.007

null

has coordinates,has Fobs

Perpétuo, Genivaldo Julio; Janczak, Jan 3-Amino-1,2,4-triazine Acta Crystallographica Section C 58(7) (2002) o431-o432

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$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/2/01/28/2012828.cif $ #-------------------------------------------------------------------...

2,012,829

15.5724

0.0003

7.4976

0.0002

24.264

0.0005

90

null

128.498

0.001

90

null

2,217.16

0.09

120

2

null

6

P 1 21/c 1

-P 2ybc

14

potassium 2-butyl-4-chloro-1-{[2'-(5-tetrazolido)biphenyl-4-yl]methyl}-1H-imidazol- 5-ylmethanol

- C22 H22 Cl K N6 O -

- C88 H88 Cl4 K4 N24 O4 -

4

1

NA1578

Fernández, Daniel; Vega, Daniel; Ellena, Javier A.; Echeverría, Gustavo

Losartan potassium, a non-peptide agent for the treatment of arterial hypertension

Acta Crystallographica Section C

2,002

58

7

m418

m420

10.1107/S0108270102009745

0.71073

MoKα

null

0.043

null

0.116

null

1.033

null

has coordinates,has disorder,has Fobs

Fernández, Daniel; Vega, Daniel; Ellena, Javier A.; Echeverría, Gustavo Losartan potassium, a non-peptide agent for the treatment of arterial hypertension Acta Crystallographica Section C 58(7) (2002) m418-m420

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/2/01/28/2012829.cif $ #-------------------------------------------------------------------...

2,012,830

8.0338

0.0006

24.627

0.002

7.4087

0.0005

90

null

106.872

0.002

90

null

1,402.7

0.18

150

2

150

2

null

4

P 1 21/c 1

-P 2ybc

14

4-(Allylamino)-2-amino-6-benzyloxy-5-nitrosopyrimidine

- C14 H15 N5 O2 -

- C56 H60 N20 O8 -

4

1

NA1579

MacLean, Elizabeth J.; Low, John N.; Quesada, Antonio; Melguizo, Manuel; Nogueras, Manuel; Glidewell, Christopher

4-(Allylamino)-2-amino-6-benzyloxy-5-nitrosopyrimidine from synchrotron data at 150K: double chains built from N—H···N, N—H···O, N—H···π(arene) and aromatic π–π-stacking interactions

Acta Crystallographica Section C

2,002

58

7

o442

o444

10.1107/S0108270102010387

0.6867

synchrotron

0.0755

0.0474

null

0.1146

0.1252

null

1.034

null

has coordinates,has Fobs

MacLean, Elizabeth J.; Low, John N.; Quesada, Antonio; Melguizo, Manuel; Nogueras, Manuel; Glidewell, Christopher 4-(Allylamino)-2-amino-6-benzyloxy-5-nitrosopyrimidine from synchrotron data at 150K: double chains built from N—H···N, N—H···O, N—H···π(arene) and aromatic π–π-stacking interactions Acta Crystallographica ...

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$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/2/01/28/2012830.cif $ #-------------------------------------------------------------------...

2,012,831

9.8888

0.001

10.7259

0.001

13.1808

0.001

69.45

0.01

82.737

0.01

70.075

0.01

1,230.7

0.2

293

2

293

2

null

6

P -1

-P 1

2

catena-Poly[[[bis(μ-4,5-dihydrothiazole-2-thiolato)-tetrahedro-tetracopper(I)]- di-μ-4,5-dihydrothiazole-2-thiolato] dihydrate]

- C12 H20 Cu4 N4 O2 S8 -

- C12 H16 Cu4 N4 O2 S8 -

- C24 H32 Cu8 N8 O4 S16 -

2

1

OB1063

Du, Ji-Min; Zeng, Hui-Yi; Dong, Zhen-Chao; Guo, Guo-Cong; Huang, Jin-Shun

catena-Poly[[[bis(μ-4,5-dihydrothiazole-2-thiolato)-tetrahedro-tetracopper(I)]-di-μ-4,5-dihydrothiazole-2-thiolato] dihydrate]

Acta Crystallographica Section C

2,002

58

7

m396

m397

10.1107/S0108270102009198

0.71073

MoKα

0.052

0.045

null

0.159

0.17

null

0.88

null

has coordinates,has Fobs

Du, Ji-Min; Zeng, Hui-Yi; Dong, Zhen-Chao; Guo, Guo-Cong; Huang, Jin-Shun catena-Poly[[[bis(μ-4,5-dihydrothiazole-2-thiolato)-tetrahedro-tetracopper(I)]-di-μ-4,5-dihydrothiazole-2-thiolato] dihydrate] Acta Crystallographica Section C 58(7) (2002) m396-m397

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/2/01/28/2012831.cif $ #-------------------------------------------------------------------...

2,012,832

12.5921

0.0003

7.5227

0.0001

18.2511

0.0004

90

null

95.915

0.001

90

null

1,719.66

0.06

293

2

293

2

null

6

P 1 21/c 1

-P 2ybc

14

Ethylenediammonium bis{bis[N-(2-aminoethyl)glycinato-κ^3^N,N',O]chromium(III)} tetrachloride dihydrate

- C18 H50 Cl4 Cr2 N10 O10 -

- C36 H100 Cl8 Cr4 N20 O20 -

2

0.5

OB1068

Choi, Jong-Ha; Suzuki, Takayoshi; Subhan, Md. Abdus; Kaizaki, Sumio; Park, Yu Chul

Ethylenediammonium bis{bis[N-(2-aminoethyl)glycinato-κ^3^N,N',O]chromium(III)} tetrachloride dihydrate at 293 and 100 K

Acta Crystallographica Section C

2,002

58

7

m409

m412

10.1107/S0108270102009885

0.71069

MoKα

0.031

0.026

null

0.068

0.07

null

1.008

null

has coordinates

Choi, Jong-Ha; Suzuki, Takayoshi; Subhan, Md. Abdus; Kaizaki, Sumio; Park, Yu Chul Ethylenediammonium bis{bis[N-(2-aminoethyl)glycinato-κ^3^N,N',O]chromium(III)} tetrachloride dihydrate at 293 and 100 K Acta Crystallographica Section C 58(7) (2002) m409-m412

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$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/2/01/28/2012832.cif $ #-------------------------------------------------------------------...

2,012,833

12.5546

0.0004

7.4907

0.0001

18.1157

0.0004

90

null

95.939

0.001

90

null

1,694.51

0.07

100

2

100

2

null

6

P 1 21/c 1

-P 2ybc

14

Ethylenediammonium bis{bis[N-(2-aminoethyl)glycinato-κ^3^N,N',O]chromium(III)} tetrachloride dihydrate

- C18 H50 Cl4 Cr2 N10 O10 -

- C36 H100 Cl8 Cr4 N20 O20 -

2

0.5

OB1068

Choi, Jong-Ha; Suzuki, Takayoshi; Subhan, Md. Abdus; Kaizaki, Sumio; Park, Yu Chul

Ethylenediammonium bis{bis[N-(2-aminoethyl)glycinato-κ^3^N,N',O]chromium(III)} tetrachloride dihydrate at 293 and 100 K

Acta Crystallographica Section C

2,002

58

7

m409

m412

10.1107/S0108270102009885

0.71069

MoKα

0.026

0.022

null

0.058

0.059

null

1.063

null

has coordinates

Choi, Jong-Ha; Suzuki, Takayoshi; Subhan, Md. Abdus; Kaizaki, Sumio; Park, Yu Chul Ethylenediammonium bis{bis[N-(2-aminoethyl)glycinato-κ^3^N,N',O]chromium(III)} tetrachloride dihydrate at 293 and 100 K Acta Crystallographica Section C 58(7) (2002) m409-m412

301,798

2025-08-19

6:41:50

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2,012,834

13.768

0.004

17.021

0.005

15.543

0.004

90

null

105.424

0.005

90

null

3,511.2

1.7

293

2

293

2

null

6

P 1 21/n 1

-P 2yn

14

5,11,17,23-Tetra-tert-butyl-25,26,27,28-tetrakis(2-cyanobenzyloxy)-2,8,14,20- tetrathiacalix[4]arene–dichloromethane (1/2)

- C74 H72 Cl4 N4 O4 S4 -

- C148 H144 Cl8 N8 O8 S8 -

2

0.5

SK1542

Dong,Shujing; Zhu,Wenxiang; Yuan, Daqiang; Yan, Xi

5,11,17,23-Tetra-tert-butyl-25,26,27,28-tetrakis(2-cyanobenzyloxy)-2,8,14,20-tetrathiacalix[4]arene–dichloromethane (1/2)

Acta Crystallographica Section C

2,002

58

7

o376

o377

10.1107/S0108270102008077

0.71073

MoKα

0.1048

0.0596

null

0.1525

0.1864

null

1.06

null

has coordinates,has Fobs

Dong,Shujing; Zhu,Wenxiang; Yuan, Daqiang; Yan, Xi 5,11,17,23-Tetra-tert-butyl-25,26,27,28-tetrakis(2-cyanobenzyloxy)-2,8,14,20-tetrathiacalix[4]arene–dichloromethane (1/2) Acta Crystallographica Section C 58(7) (2002) o376-o377

301,798

2025-08-19

6:41:50

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2,012,835

11.7912

0.0012

8.4725

0.0007

14.768

0.004

90

null

90

null

90

null

1,475.3

0.4

293

2

294

1

null

5

P n m a

-P 2ac 2n

62

Bis(trimethylphosphine)silver(I) hexafluorophosphate

- C6 H18 Ag F6 P3 -

- C24 H72 Ag4 F24 P12 -

4

0.5

SK1552

Alyea, Elmer C.; Kannan, Shanmugaperumal; Meehan, Paul R.

Bis(trimethylphosphine)silver(I) hexafluorophosphate

Acta Crystallographica Section C

2,002

58

7

m365

m367

10.1107/S0108270102007734

0.71073

MoKα

0.047

0.032

null

0.091

0.095

null

1.093

null

has coordinates,has Fobs

Alyea, Elmer C.; Kannan, Shanmugaperumal; Meehan, Paul R. Bis(trimethylphosphine)silver(I) hexafluorophosphate Acta Crystallographica Section C 58(7) (2002) m365-m367

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/2/01/28/2012835.cif $ #-------------------------------------------------------------------...

2,012,836

15.0514

0.0002

19.5456

0.0002

23.0921

0.0006

108.046

0.0005

102.787

0.0006

101.308

0.0008

6,037.06

0.19

120

2

120

2

null

4

P -1

-P 1

2

Triphenylsilanol

- C18 H16 O Si -

- C288 H256 O16 Si16 -

16

8

SK1558

Bowes, Katharine F.; Glidewell, Christopher; Low, John N.

Tetrameric triphenylsilanol, (Ph~3~SiOH)~4~, and the adduct (Ph~3~SiOH)~2~–dimethyl sulfoxide, both at 120K, and the adduct (Ph~3~SiOH)~4~–1,4-dioxan at 150K: interplay of O—H···O and C—H···π(arene) interactions

Acta Crystallographica Section C

2,002

58

7

o409

o415

10.1107/S0108270102009381

0.71073

MoKα

0.118

0.061

null

0.147

0.174

null

1.023

null

has coordinates,has disorder,has Fobs

Bowes, Katharine F.; Glidewell, Christopher; Low, John N. Tetrameric triphenylsilanol, (Ph~3~SiOH)~4~, and the adduct (Ph~3~SiOH)~2~–dimethyl sulfoxide, both at 120K, and the adduct (Ph~3~SiOH)~4~–1,4-dioxan at 150K: interplay of O—H···O and C—H···π(arene) interactions Acta Crystallographica Section C 58(7) (2002) o409...

301,798

2025-08-19

6:41:51

#------------------------------------------------------------------------------ #$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/2/01/28/2012836.cif $ #-------------------------------------------------------------------...

2,012,837

16.8842

0.0003

8.5391

0.0002

23.7053

0.0006

90

null

96.131

0.001

90

null

3,398.18

0.13

120

2

120

2

null

5

C 1 2/c 1

-C 2yc

15

Bis(triphenylsilanol) dimethyl sulfoxide solvate

- C38 H38 O3 S Si -

- C38 H38 O3 S Si2 -

- C152 H152 O12 S4 Si8 -

4

0.5

SK1558

Bowes, Katharine F.; Glidewell, Christopher; Low, John N.

Tetrameric triphenylsilanol, (Ph~3~SiOH)~4~, and the adduct (Ph~3~SiOH)~2~‒dimethyl sulfoxide, both at 120K, and the adduct (Ph~3~SiOH)~4~‒1,4-dioxan at 150K: interplay of O—H···O and C—H···π(arene) interactions

Acta Crystallographica Section C

2,002

58

7

o409

o415

10.1107/S0108270102009381

0.71073

MoKα

0.071

0.042

null

0.097

0.109

null

1

null

has coordinates,has disorder,has Fobs

Bowes, Katharine F.; Glidewell, Christopher; Low, John N. Tetrameric triphenylsilanol, (Ph~3~SiOH)~4~, and the adduct (Ph~3~SiOH)~2~‒dimethyl sulfoxide, both at 120K, and the adduct (Ph~3~SiOH)~4~‒1,4-dioxan at 150K: interplay of O—H···O and C—H···π(arene) interactions Acta Crystallographica Section C 58(7) (2002) o409...

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/2/01/28/2012837.cif $ #-------------------------------------------------------------------...

2,012,838

9.3033

0.0003

11.6929

0.0005

14.7154

0.0006

87.73

0.003

80.906

0.003

87.804

0.0017

1,578.58

0.11

150

2

150

2

null

4

P -1

-P 1

2

Tetrakis(triphenylsilanol) 1,4-dioxan solvate

- C76 H72 O6 Si4 -

1

0.5

SK1558

Bowes, Katharine F.; Glidewell, Christopher; Low, John N.

Tetrameric triphenylsilanol, (Ph~3~SiOH)~4~, and the adduct (Ph~3~SiOH)~2~–dimethyl sulfoxide, both at 120K, and the adduct (Ph~3~SiOH)~4~–1,4-dioxan at 150K: interplay of O—H···O and C—H···π(arene) interactions

Acta Crystallographica Section C

2,002

58

7

o409

o415

10.1107/S0108270102009381

0.71073

MoKα

0.183

0.063

null

0.104

0.135

null

0.917

null

has coordinates,has Fobs

Bowes, Katharine F.; Glidewell, Christopher; Low, John N. Tetrameric triphenylsilanol, (Ph~3~SiOH)~4~, and the adduct (Ph~3~SiOH)~2~–dimethyl sulfoxide, both at 120K, and the adduct (Ph~3~SiOH)~4~–1,4-dioxan at 150K: interplay of O—H···O and C—H···π(arene) interactions Acta Crystallographica Section C 58(7) (2002) o409...

301,798

2025-08-19

6:41:51

#------------------------------------------------------------------------------ #$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/2/01/28/2012838.cif $ #-------------------------------------------------------------------...

2,012,839

6.6442

0.0001

10.307

0.0002

17.2597

0.0004

100.339

0.0008

98.6403

0.0009

103.697

0.0016

1,106.51

0.04

150

2

150

2

null

6

P -1

-P 1

2

(4-nitrophenylsulfanylmethyl)triphenylstannane

- C25 H21 N O2 S Sn -

- C50 H42 N2 O4 S2 Sn2 -

2

1

SK1559

Skakle, Janet M. S.; Wardell, James L.; Wardell, Solange M. S. V.

(4-Nitrophenylsulfanylmethyl)triphenylstannane and (4-nitrophenylsulfonylmethyl)triphenylstannane: Rf̱{_2^2}(X) rings (X is 10, 18 or 24) and C—H···π interactions

Acta Crystallographica Section C

2,002

58

7

m413

m417

10.1107/S0108270102010375

0.71073

MoKα

0.039

0.032

null

0.076

0.079

null

1.059

null

has coordinates,has Fobs

Skakle, Janet M. S.; Wardell, James L.; Wardell, Solange M. S. V. (4-Nitrophenylsulfanylmethyl)triphenylstannane and (4-nitrophenylsulfonylmethyl)triphenylstannane: Rf̱{_2^2}(X) rings (X is 10, 18 or 24) and C—H···π interactions Acta Crystallographica Section C 58(7) (2002) m413-m417

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/2/01/28/2012839.cif $ #-------------------------------------------------------------------...

2,012,840

6.8715

0.0004

9.968

0.0005

17.6403

0.001

81.0264

0.0019

89.4798

0.0019

72.5146

0.0017

1,137.42

0.11

120

2

120

2

null

6

P -1

-P 1

2

(4-nitrophenylsulfonylmethyl)triphenylstannane

- C25 H21 N O4 S Sn -

- C50 H42 N2 O8 S2 Sn2 -

2

1

SK1559

Skakle, Janet M. S.; Wardell, James L.; Wardell, Solange M. S. V.

(4-Nitrophenylsulfanylmethyl)triphenylstannane and (4-nitrophenylsulfonylmethyl)triphenylstannane: Rf̱{_2^2}(X) rings (X is 10, 18 or 24) and C—H···π interactions

Acta Crystallographica Section C

2,002

58

7

m413

m417

10.1107/S0108270102010375

0.71073

MoKα

0.019

0.018

null

0.046

null

1.097

null

has coordinates,has Fobs

Skakle, Janet M. S.; Wardell, James L.; Wardell, Solange M. S. V. (4-Nitrophenylsulfanylmethyl)triphenylstannane and (4-nitrophenylsulfonylmethyl)triphenylstannane: Rf̱{_2^2}(X) rings (X is 10, 18 or 24) and C—H···π interactions Acta Crystallographica Section C 58(7) (2002) m413-m417

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/2/01/28/2012840.cif $ #-------------------------------------------------------------------...

2,012,841

28.2157

0.0011

28.2157

0.0011

14.2592

0.0004

90

null

90

null

120

null

9,831.2

0.6

160

1

160

1

null

4

R 3 c :H

R 3 -2"c

161

N,N-Diethyl-2,6,6-trimethyl-4-(3-nitrophenyl)-5-oxo- 1,4,5,6,7,8-hexahydroquinoline-3-carboxamide

- C23 H29 N3 O4 -

- C414 H522 N54 O72 -

18

1

SK1560

Linden, Anthony; Şafak, Cihat; Kismetlı, Emrah

N,N-Diethyl-2,6,6-trimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide

Acta Crystallographica Section C

2,002

58

7

o436

o438

10.1107/S0108270102010314

0.71073

MoKα

0.089

0.047

null

0.078

0.09

null

1.004

null

has coordinates,has disorder,has Fobs

Linden, Anthony; Şafak, Cihat; Kismetlı, Emrah N,N-Diethyl-2,6,6-trimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide Acta Crystallographica Section C 58(7) (2002) o436-o438

301,798

2025-08-19

6:41:51

#------------------------------------------------------------------------------ #$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/2/01/28/2012841.cif $ #-------------------------------------------------------------------...

2,012,842

20.515

0.003

10.4596

0.0011

20.517

0.003

90

null

104.223

0.013

90

null

4,267.6

1

143

2

143

2

null

4

C 1 2/c 1

-C 2yc

15

di-tert-butylsilanediol

- C8 H20 O2 Si -

- C128 H320 O32 Si16 -

16

2

SK1561

Bats, Jan W.; Scholz, Stefan; Lerner, Hans-Wolfram

The low-temperature phase of di-tert-butylsilanediol

Acta Crystallographica Section C

2,002

58

7

o439

o441

10.1107/S010827010201034X

0.71073

MoKα

0.078

0.051

null

0.111

0.13

null

1.22

null

has coordinates,has Fobs

Bats, Jan W.; Scholz, Stefan; Lerner, Hans-Wolfram The low-temperature phase of di-tert-butylsilanediol Acta Crystallographica Section C 58(7) (2002) o439-o441

301,798

2025-08-19

6:41:51

#------------------------------------------------------------------------------ #$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/2/01/28/2012842.cif $ #-------------------------------------------------------------------...

2,012,843

11.0515

0.0017

18.2104

0.0012

4.3441

0.0011

90

null

90.47

0.02

90

null

874.2

0.3

296

2

296

2

null

5

P 1 21/a 1

-P 2yab

14

4,7-diiodo-2,1,3-benzothiadiazole

- C6 H2 I2 N2 S -

- C24 H8 I8 N8 S4 -

4

1

TA1368

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

4,7-Diiodo-2,1,3-benzothiadiazole and 7,7'-diiodo-4,4'-bi(2,1,3-benzothiadiazole)

Acta Crystallographica Section C

2,002

58

7

o373

o375

10.1107/S0108270102008296

0.71069

MoKα

0.026

0.019

null

0.05

0.055

null

0.963

null

has coordinates,has Fobs

Tomura, Masaaki; Akhtaruzzaman, Md.; Suzuki, Kazuharu; Yamashita, Yoshiro 4,7-Diiodo-2,1,3-benzothiadiazole and 7,7'-diiodo-4,4'-bi(2,1,3-benzothiadiazole) Acta Crystallographica Section C 58(7) (2002) o373-o375

301,798

2025-08-19

6:41:51

#------------------------------------------------------------------------------ #$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/2/01/28/2012843.cif $ #-------------------------------------------------------------------...

2,012,844

20.892

0.014

33.38

0.02

3.942

0.003

90

null

90

null

90

null

2,749

3

296

2

296

2

null

5

F d d 2

F 2 -2d

43

7,7'-diiodo-4,4'-bis(2,1,3-benzothiadiazole)

- C12 H4 I2 N4 S2 -

- C96 H32 I16 N32 S16 -

8

0.5

TA1368

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

4,7-Diiodo-2,1,3-benzothiadiazole and 7,7'-diiodo-4,4'-bi(2,1,3-benzothiadiazole)

Acta Crystallographica Section C

2,002

58

7

o373

o375

10.1107/S0108270102008296

0.71069

MoKα

0.057

0.055

null

0.151

0.152

null

1.212

null

has coordinates

Tomura, Masaaki; Akhtaruzzaman, Md.; Suzuki, Kazuharu; Yamashita, Yoshiro 4,7-Diiodo-2,1,3-benzothiadiazole and 7,7'-diiodo-4,4'-bi(2,1,3-benzothiadiazole) Acta Crystallographica Section C 58(7) (2002) o373-o375

301,798

2025-08-19

6:41:51

#------------------------------------------------------------------------------ #$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/2/01/28/2012844.cif $ #-------------------------------------------------------------------...

2,012,845

16.675

0.003

7.871

0.0014

14.339

0.003

90

null

116.839

0.003

90

null

1,679.2

0.6

293

2

293

2

null

3

C 1 2/c 1

-C 2yc

15

Di(1-naphthyl)ditelluride

alpha-naphthylditelluride

- C20 H14 Te2 -

- C80 H56 Te8 -

4

0.5

TA1375

Schulz Lang, Ernesto; Burrow, Robert Alan; Silveira, Edson Tarabal

Bis(1-naphthyl) ditelluride

Acta Crystallographica Section C

2,002

58

7

o397

o398

10.1107/S0108270102008284

0.71073

MoKα

0.036

0.028

null

0.067

0.069

null

0.974

null

has coordinates,has Fobs

Schulz Lang, Ernesto; Burrow, Robert Alan; Silveira, Edson Tarabal Bis(1-naphthyl) ditelluride Acta Crystallographica Section C 58(7) (2002) o397-o398

301,798

2025-08-19

6:41:51

#------------------------------------------------------------------------------ #$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/2/01/28/2012845.cif $ #-------------------------------------------------------------------...

2,012,846

7.2171

0.0006

18.541

0.003

20.176

0.006

90

null

90

null

90

null

2,699.8

0.9

293

2

293

2

null

4

P 21 21 21

P 2ac 2ab

19

16-(4-Cyanobenzylidene)-3β-pyrrolidinoandrost-5-en-17β-ol monohydrate

- C31 H42 N2 O2 -

- C124 H168 N8 O8 -

4

1

VJ1164

Hema, R.; Parthasarathi, V.; Thamotharan, S.; Dubey, S.; Jindal, D. P.

16-(4-Cyanobenzylidene)-3β-pyrrolidinoandrost-5-en-17β-ol monohydrate

Acta Crystallographica Section C

2,002

58

7

o421

o422

10.1107/S0108270102009319

1.5418

CuKα

0.049

0.043

null

0.117

0.123

null

1.091

null

has coordinates,has Fobs

Hema, R.; Parthasarathi, V.; Thamotharan, S.; Dubey, S.; Jindal, D. P. 16-(4-Cyanobenzylidene)-3β-pyrrolidinoandrost-5-en-17β-ol monohydrate Acta Crystallographica Section C 58(7) (2002) o421-o422

301,798

2025-08-19

6:41:51

#------------------------------------------------------------------------------ #$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/2/01/28/2012846.cif $ #-------------------------------------------------------------------...

2,012,847

6.104

0.001

10.3202

0.0018

11.96

0.002

94.863

0.003

94.078

0.003

99.867

0.003

736.8

0.2

293

2

293

2

null

5

P -1

-P 1

2

Dibenzyl 2,2'-(ethane-1,2-diylidene)dihydrazinecarbodithioate dimethylformamide disolvate

- C24 H32 N6 O2 S4 -

1

0.5

BJ1039

Xu, Li; Zhou, Jian-Hao; Chen, Xue-Tai; You, Xiao-Zeng

Dibenzyl 2,2'-(ethane-1,2-diylidene)dihydrazinecarbodithioate bis(dimethylformamide) solvate

Acta Crystallographica Section C

2,002

58

8

o513

o514

10.1107/S0108270102011411

0.71073

MoKα

0.074

0.048

null

0.123

0.13

null

1.003

null

has coordinates,has Fobs

Xu, Li; Zhou, Jian-Hao; Chen, Xue-Tai; You, Xiao-Zeng Dibenzyl 2,2'-(ethane-1,2-diylidene)dihydrazinecarbodithioate bis(dimethylformamide) solvate Acta Crystallographica Section C 58(8) (2002) o513-o514

301,798

2025-08-19

6:41:51

#------------------------------------------------------------------------------ #$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/2/01/28/2012847.cif $ #-------------------------------------------------------------------...

2,012,848

11.484

0.003

18.385

0.006

9.509

0.003

90

null

90

null

90

null

2,007.7

1.1

150

2

150

2

null

6

P b c n

-P 2n 2ab

60

2,5-bis[(N-B)-(2-aminoethoxy)phenylboryl]thiophene

- C20 H24 B2 N2 O2 S -

- C80 H96 B8 N8 O8 S4 -

4

0.5

BM1498

Cox, Philip J.; Wardell, James L.

Coordinative N→ B bond formation and hydrogen-bonded molecular ladders in 2,5-bis[(N→ B)-(2-aminoethoxy)phenylboryl]thiophene

Acta Crystallographica Section C

2,002

58

8

o515

o517

10.1107/S0108270102010594

0.71073

MoKα

0.112

0.04

null

0.065

0.075

null

0.629

null

has coordinates,has Fobs

Cox, Philip J.; Wardell, James L. Coordinative N→ B bond formation and hydrogen-bonded molecular ladders in 2,5-bis[(N→ B)-(2-aminoethoxy)phenylboryl]thiophene Acta Crystallographica Section C 58(8) (2002) o515-o517

301,798

2025-08-19

6:41:51

#------------------------------------------------------------------------------ #$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/2/01/28/2012848.cif $ #-------------------------------------------------------------------...

2,012,849

7.9977

0.0003

15.923

0.0006

12.1212

0.0004

90

null

124.194

0.002

90

null

1,276.77

0.09

150

2

150

2

null

6

P 1 21/c 1

-P 2ybc

14

Bis[μ-3{5}-(2-pyridyl)pyrazolido]bis[(acetonitrile)copper(II)] diperchlorate

- C20 H18 Cl2 Cu2 N8 O8 -

- C40 H36 Cl4 Cu4 N16 O16 -

2

0.5

BM1502

Hallam, Matthew J.; Kilner, Colin A.; Halcrow, Malcolm A.

Bis[μ-3{5}-(2-pyridyl)pyrazolido]bis[(acetonitrile)copper(II)] diperchlorate

Acta Crystallographica Section C

2,002

58

8

m445

m446

10.1107/S010827010201154X

0.71073

MoKα

0.0445

0.0369

null

0.0898

0.0941

null

1.072

null

has coordinates,has Fobs

Hallam, Matthew J.; Kilner, Colin A.; Halcrow, Malcolm A. Bis[μ-3{5}-(2-pyridyl)pyrazolido]bis[(acetonitrile)copper(II)] diperchlorate Acta Crystallographica Section C 58(8) (2002) m445-m446

301,798

2025-08-19

6:41:52

#------------------------------------------------------------------------------ #$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/2/01/28/2012849.cif $ #-------------------------------------------------------------------...

2,012,850

6.7379

0.0001

26.7454

0.0004

10.6473

0.0002

90

null

105.429

0.0006

90

null

1,849.58

0.05

160

1

160

1

null

5

P 1 21/n 1

-P 2yn

14

bis(1-chloro-2,2,4,4-tetramethyl-3-oxocyclobutan-1-yl)disulfane

- C16 H24 Cl2 O2 S2 -

- C64 H96 Cl8 O8 S8 -

4

1

BM1503

Linden, Anthony; Majchrzak, Agnieszka; Cavegn, Jovita; Mloston, Grzegorz; Heimgartner, Heinz

Four bis(1-chloro-2,2,4,4-tetramethyl-3-oxocyclobutan-1-yl)oligosulfanes

Acta Crystallographica Section C

2,002

58

8

o480

o484

10.1107/S0108270102011319

0.71073

MoKα

0.069

0.038

null

0.082

0.093

null

1.058

null

has coordinates,has Fobs

Linden, Anthony; Majchrzak, Agnieszka; Cavegn, Jovita; Mloston, Grzegorz; Heimgartner, Heinz Four bis(1-chloro-2,2,4,4-tetramethyl-3-oxocyclobutan-1-yl)oligosulfanes Acta Crystallographica Section C 58(8) (2002) o480-o484

301,798

2025-08-19

6:41:52

#------------------------------------------------------------------------------ #$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/2/01/28/2012850.cif $ #-------------------------------------------------------------------...

2,012,851

13.0673

0.0001

25.7808

0.0002

13.1619

0.0001

90

null

114.667

0.0003

90

null

4,029.43

0.05

160

1

160

1

null

5

P 1 21/c 1

-P 2ybc

14

1,3-bis(1-chloro-2,2,4,4-tetramethyl-3-oxocyclobutan-1-yl)trisulfane

- C16 H24 Cl2 O2 S3 -

- C128 H192 Cl16 O16 S24 -

8

2

BM1503

Linden, Anthony; Majchrzak, Agnieszka; Cavegn, Jovita; Mloston, Grzegorz; Heimgartner, Heinz

Four bis(1-chloro-2,2,4,4-tetramethyl-3-oxocyclobutan-1-yl)oligosulfanes

Acta Crystallographica Section C

2,002

58

8

o480

o484

10.1107/S0108270102011319

0.71073

MoKα

0.048

0.033

null

0.08

0.086

null

1.04

null

has coordinates,has Fobs

Linden, Anthony; Majchrzak, Agnieszka; Cavegn, Jovita; Mloston, Grzegorz; Heimgartner, Heinz Four bis(1-chloro-2,2,4,4-tetramethyl-3-oxocyclobutan-1-yl)oligosulfanes Acta Crystallographica Section C 58(8) (2002) o480-o484

301,798

2025-08-19

6:41:52

#------------------------------------------------------------------------------ #$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/2/01/28/2012851.cif $ #-------------------------------------------------------------------...

2,012,852

11.1372

0.0001

13.0843

0.0001

16.3379

0.0002

71.8478

0.0005

89.8055

0.0005

73.5431

0.0005

2,160.2

0.04

253

1

253

1

null

5

P -1

-P 1

2

1,4-bis(1-chloro-2,2,4,4-tetramethyl-3-oxocyclobutan-1-yl)tetrasulfane

- C16 H24 Cl2 O2 S4 -

- C64 H96 Cl8 O8 S16 -

4

2

BM1503

Linden, Anthony; Majchrzak, Agnieszka; Cavegn, Jovita; Mloston, Grzegorz; Heimgartner, Heinz

Four bis(1-chloro-2,2,4,4-tetramethyl-3-oxocyclobutan-1-yl)oligosulfanes

Acta Crystallographica Section C

2,002

58

8

o480

o484

10.1107/S0108270102011319

0.71073

MoKα

0.065

0.041

null

0.102

0.114

null

1.045

null

has coordinates,has Fobs

Linden, Anthony; Majchrzak, Agnieszka; Cavegn, Jovita; Mloston, Grzegorz; Heimgartner, Heinz Four bis(1-chloro-2,2,4,4-tetramethyl-3-oxocyclobutan-1-yl)oligosulfanes Acta Crystallographica Section C 58(8) (2002) o480-o484

301,798

2025-08-19

6:41:52

#------------------------------------------------------------------------------ #$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/2/01/28/2012852.cif $ #-------------------------------------------------------------------...

2,012,853

7.1475

0.0001

7.1475

0.0001

46.3268

0.0008

90

null

90

null

90

null

2,366.69

0.06

160

1

160

1

null

5

P 41 21 2

P 4abw 2nw

92

1,6-bis(1-chloro-2,2,4,4-tetramethyl-3-oxocyclobutan-1-yl)hexasulfane

- C16 H24 Cl2 O2 S6 -

- C64 H96 Cl8 O8 S24 -

4

0.5

BM1503

Linden, Anthony; Majchrzak, Agnieszka; Cavegn, Jovita; Mloston, Grzegorz; Heimgartner, Heinz

Four bis(1-chloro-2,2,4,4-tetramethyl-3-oxocyclobutan-1-yl)oligosulfanes

Acta Crystallographica Section C

2,002

58

8

o480

o484

10.1107/S0108270102011319

0.71073

MoKα

0.092

0.043

null

0.074

0.085

null

1.055

null

has coordinates,has Fobs

Linden, Anthony; Majchrzak, Agnieszka; Cavegn, Jovita; Mloston, Grzegorz; Heimgartner, Heinz Four bis(1-chloro-2,2,4,4-tetramethyl-3-oxocyclobutan-1-yl)oligosulfanes Acta Crystallographica Section C 58(8) (2002) o480-o484

301,798

2025-08-19

6:41:52

#------------------------------------------------------------------------------ #$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/2/01/28/2012853.cif $ #-------------------------------------------------------------------...

2,012,854

6.6027

0.001

8.9552

0.001

16.844

0.002

90

null

90

null

90

null

996

0.2

293

2

293

2

null

3

C m c m

-C 2c 2

63

Potassium closo-13-oxopentamolybdate

- K Mo5 O13 -

- K4 Mo20 O52 -

4

0.25

BR1369

Ftini, Mohamed Mongi; Krifa, Mohamed; Amor, Haddad

KMo~5~O~13~ and KNb~1.76~Sb~3.24~O~13~

Acta Crystallographica Section C

2,002

58

8

i106

i108

10.1107/S0108270102007886

0.71073

MoKα

0.043

0.037

null

0.094

0.1

null

1.217

null

has coordinates,has Fobs

Ftini, Mohamed Mongi; Krifa, Mohamed; Amor, Haddad KMo~5~O~13~ and KNb~1.76~Sb~3.24~O~13~ Acta Crystallographica Section C 58(8) (2002) i106-i108

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/2/01/28/2012854.cif $ #-------------------------------------------------------------------...

2,012,855

6.697

0.001

9.027

0.001

17.047

0.002

90

null

90

null

90

null

1,030.6

0.2

293

2

293

2

null

4

C m c m

-C 2c 2

63

Potassium niobium antimony oxide (1/1.76/3.24)

- K Nb1.76 O13 Sb3.24 -

- K4 Nb7.04 O52 Sb12.96 -

4

0.25

BR1369

Ftini, Mohamed Mongi; Krifa, Mohamed; Amor, Haddad

KMo~5~O~13~ and KNb~1.76~Sb~3.24~O~13~

Acta Crystallographica Section C

2,002

58

8

i106

i108

10.1107/S0108270102007886

0.71069

MoKα

0.028

0.023

null

0.07

0.072

null

1.184

null

has coordinates,has Fobs

Ftini, Mohamed Mongi; Krifa, Mohamed; Amor, Haddad KMo~5~O~13~ and KNb~1.76~Sb~3.24~O~13~ Acta Crystallographica Section C 58(8) (2002) i106-i108

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/2/01/28/2012855.cif $ #-------------------------------------------------------------------...

2,012,856

6.528

0.003

7.956

0.004

9.501

0.004

104.03

0.04

109.17

0.02

101.66

0.03

430.3

0.4

293

2

293

2

null

4

P -1

-P 1

2

Heptairon tetrakis(hydrogenphosphate) bis(phosphate)

- Fe7 H4 O24 P6 -

1

0.5

BR1377

Zhou, Bei-Chuan; Yao, You-Wei; Wang, Ru-Ji

Heptairon bis(phosphate) tetrakis(hydrogenphosphate)

Acta Crystallographica Section C

2,002

58

8

i109

i110

10.1107/S0108270102009873

0.71073

MoKα

0.053

0.043

null

0.1

0.106

null

1.027

null

has coordinates,has Fobs

Zhou, Bei-Chuan; Yao, You-Wei; Wang, Ru-Ji Heptairon bis(phosphate) tetrakis(hydrogenphosphate) Acta Crystallographica Section C 58(8) (2002) i109-i110

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/2/01/28/2012856.cif $ #-------------------------------------------------------------------...

2,012,857

9.6384

0.0005

9.6723

0.0005

9.7512

0.0005

90

null

102.465

0.001

90

null

887.63

0.08

293

2

293

2

null

5

P 1 21/n 1

-P 2yn

14

Hydrated rubidium gallium phosphate

Rubidium aqua-μ~3~-hydroxo-di-μ-phosphato-digallium hydrate

- Ga2 H5 O11 P2 Rb -

- Ga8 H20 O44 P8 Rb4 -

4

1

BR1379

Beitone, Lionel; Loiseau, Thierry; Ferey, Gerard

Rb(GaPO~4~)~2~(OH)(H~2~O)·H~2~O: a hydrated rubidium gallium phosphate analogue of GaPO~4~·2H~2~O and leucophosphite

Acta Crystallographica Section C

2,002

58

8

i103

i105

10.1107/S0108270102010600

0.71073

MoKα

0.027

0.024

null

0.064

null

0.062

null

0.963

null

0.98

null

has coordinates,has Fobs

Beitone, Lionel; Loiseau, Thierry; Ferey, Gerard Rb(GaPO~4~)~2~(OH)(H~2~O)·H~2~O: a hydrated rubidium gallium phosphate analogue of GaPO~4~·2H~2~O and leucophosphite Acta Crystallographica Section C 58(8) (2002) i103-i105

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/2/01/28/2012857.cif $ #-------------------------------------------------------------------...

2,012,858

14.392

0.003

21.233

0.004

22.172

0.004

90

null

106.95

0.03

90

null

6,481

2

143

2

143

2

null

6

P 1 21/c 1

-P 2ybc

14

Aquachlorobis(4,4',4''-tri-tert-butyl-2,2';6',2''-terpyridine- κ^3^N)terbium(III) diperchlorate ethanol disolvate

- C58 H84 Cl3 N6 O11 Tb -

- C57.98 H70 Cl3 N6 O10.99 Tb -

- C231.92 H280 Cl12 N24 O43.96 Tb4 -

4

1

DN1012

Mürner, Hans-Ruedi; Scopelliti, Rosario; Bünzli, Jean-Claude G.

Aquachlorobis(4,4',4''-tri-tert-butyl-2,2';6',2''-terpyridine-κ^3^N)terbium(III) diperchlorate ethanol disolvate

Acta Crystallographica Section C

2,002

58

8

m434

m435

10.1107/S0108270102009939

0.7107

MoKα

0.112

0.065

null

0.177

0.203

null

0.965

null

has coordinates,has disorder,has Fobs

Mürner, Hans-Ruedi; Scopelliti, Rosario; Bünzli, Jean-Claude G. Aquachlorobis(4,4',4''-tri-tert-butyl-2,2';6',2''-terpyridine-κ^3^N)terbium(III) diperchlorate ethanol disolvate Acta Crystallographica Section C 58(8) (2002) m434-m435

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/2/01/28/2012858.cif $ #-------------------------------------------------------------------...

2,012,859

12.5976

0.0003

7.7874

0.0003

14.8929

0.0005

90

null

94.427

0.002

90

null

1,456.67

0.08

293

null

293

2

null

5

P 1 21/c 1

-P 2ybc

14

2-(4-benzenesulfonylmethyl-2-methyl-5-nitro-imidazol-1-yl)-ethanol

- C13 H15 N3 O5 S -

- C52 H60 N12 O20 S4 -

4

1

DN1013

Crozet, M. D.; Vanelle, P.; Giorgi, M.; Gellis, A.

2-[2-Methyl-5-nitro-4-(phenylsulfonylmethyl)imidazol-1-yl]ethanol and 2-methyl-5-nitro-4-phenylsulfonylmethyl-1,3-thiazole

Acta Crystallographica Section C

2,002

58

8

o496

o498

10.1107/S0108270102011964

0.71073

MoKα

0.0505

0.0462

null

0.1087

0.1129

null

1.066

null

has coordinates

Crozet, M. D.; Vanelle, P.; Giorgi, M.; Gellis, A. 2-[2-Methyl-5-nitro-4-(phenylsulfonylmethyl)imidazol-1-yl]ethanol and 2-methyl-5-nitro-4-phenylsulfonylmethyl-1,3-thiazole Acta Crystallographica Section C 58(8) (2002) o496-o498

301,798

2025-08-19

6:41:52

#------------------------------------------------------------------------------ #$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/2/01/28/2012859.cif $ #-------------------------------------------------------------------...