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

2,013,160

9.3406

0.0009

10.1663

0.0006

17.9072

0.001

90

null

90.136

0.006

90

null

1,700.5

0.2

294

1

294

1

null

4

P 1 21/a 1

-P 2yab

14

Isopropyl 4-ferrocenylbenzoate

- C20 H20 Fe O2 -

- C80 H80 Fe4 O8 -

4

1

GD1238

Anderson, Frankie P.; Gallagher, John F.; Kenny, Peter T. M.; Ryan, Clodagh; Savage, David

Ethyl and isopropyl 4-ferrocenylbenzoate

Acta Crystallographica Section C

2,003

59

1

m13

m15

10.1107/S0108270102021819

0.71073

MoKα

0.067

0.043

null

0.097

0.109

null

1.037

null

has coordinates,has Fobs

Anderson, Frankie P.; Gallagher, John F.; Kenny, Peter T. M.; Ryan, Clodagh; Savage, David Ethyl and isopropyl 4-ferrocenylbenzoate Acta Crystallographica Section C 59(1) (2003) m13-m15

176,760

2020-10-21

18:00:00

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2,013,161

10.1876

0.0007

18.8055

0.0015

16.7034

0.0013

90

null

94.59

0.007

90

null

3,189.8

0.4

293

2

293

2

null

5

P 1 21/n 1

-P 2yn

14

N-Boc-1'-aminoferrocene-1-carboxylic acid

1'-(tert-butoxycarbonylamino)ferrocene-1-carboxylic acid

- C16 H19 Fe N O4 -

- C128 H152 Fe8 N8 O32 -

8

2

GD1239

Pavlović, Gordana; Barišić, Lidija; Rapić, Vladimir; Kovač, Veronika

Ferrocene compounds. XXXIV. 1'-(tert-Butoxycarbonylamino)ferrocene-1-carboxylic acid

Acta Crystallographica Section C

2,003

59

2

m55

m57

10.1107/S0108270102023156

0.71073

MoKα

0.234

0.061

null

0.081

0.113

null

0.94

null

has coordinates,has Fobs

Pavlović, Gordana; Barišić, Lidija; Rapić, Vladimir; Kovač, Veronika Ferrocene compounds. XXXIV. 1'-(tert-Butoxycarbonylamino)ferrocene-1-carboxylic acid Acta Crystallographica Section C 59(2) (2003) m55-m57

176,760

2020-10-21

18:00:00

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2,013,162

7.4715

0.0006

7.7082

0.0007

9.1435

0.0006

97.429

0.006

112.808

0.005

110.666

0.006

432.02

0.07

296

1

296

1

null

5

P 1

1

dibromo[(-)-sparteine-κ^2^N,N']zinc(II)

dibromo[(6R,7S,8S,14S)-1,3,4,7,7a,8,9,10,11,13,14,14a-dodecahydro-7,14- methano-2H,6H-dipyrido[1,2-a;1',2'-e][1,5]diazocine-κ^2^N,N']zinc(II)

- C15 H26 Br2 N2 Zn -

1

GD1241

Alcántara-Flores, José Luis; Bernès, Sylvain; Reyes-Ortega, Yasmi; Zamorano-Ulloa, Rafael

The triclinic polymorph of dibromo[(‒)-sparteine-κ^2^N,N']zinc(II)

Acta Crystallographica Section C

2,003

59

3

m79

m81

10.1107/S0108270103001483

0.71073

MoKα

0.0504

0.0395

null

0.0908

0.0969

null

1.04

null

has coordinates,has Fobs

Alcántara-Flores, José Luis; Bernès, Sylvain; Reyes-Ortega, Yasmi; Zamorano-Ulloa, Rafael The triclinic polymorph of dibromo[(‒)-sparteine-κ^2^N,N']zinc(II) Acta Crystallographica Section C 59(3) (2003) m79-m81

176,760

2020-10-21

18:00:00

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2,013,163

7.5503

0.0002

23.5347

0.0009

11.105

0.0004

90

null

102.427

0.002

90

null

1,927.06

0.11

293

2

293

2

null

5

P 1 21/c 1

-P 2ybc

14

- C18 H20 N2 Ni O8 -

- C72 H80 N8 Ni4 O32 -

4

1

GD1242

Hong-Ping Xiao; Zhan Shi; Long-Guan Zhu; Ru-Ren Xu; Wen-Qin Pang

Tetraaqua(2,2'-bipyridine)nickel(II) terephthalate

Acta Crystallographica Section C

2,003

59

3

m82

m83

10.1107/S0108270103002087

0.71073

MoKα

0.0847

0.0478

null

0.1129

0.1258

null

0.951

null

has coordinates,has Fobs

Hong-Ping Xiao; Zhan Shi; Long-Guan Zhu; Ru-Ren Xu; Wen-Qin Pang Tetraaqua(2,2'-bipyridine)nickel(II) terephthalate Acta Crystallographica Section C 59(3) (2003) m82-m83

301,798

2025-08-19

6:42:13

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2,013,164

8.7825

0.0008

16.209

0.002

16.7077

0.0016

112.555

0.009

104.477

0.007

95.876

0.01

2,073.8

0.4

293

2

293

2

null

5

P -1

-P 1

2

N-ethylpyridinium bis(2-thioxo-1,3-dithiole-4,5-dithiolato)nickelate(II)

- C13 H10 N Ni S10 -

- C52 H40 N4 Ni4 S40 -

4

2

GG1142

Xue, Gang; Xu, Wen; Yu, Wentao; Fang, Qi

N-Ethylpyridinium bis(2-thioxo-1,3-dithiole-4,5-dithiolato)nickelate

Acta Crystallographica Section C

2,003

59

1

m27

m29

10.1107/S0108270102020115

0.71073

MoKα

0.076

0.043

null

0.099

0.118

null

0.945

null

has coordinates,has disorder,has Fobs

Xue, Gang; Xu, Wen; Yu, Wentao; Fang, Qi N-Ethylpyridinium bis(2-thioxo-1,3-dithiole-4,5-dithiolato)nickelate Acta Crystallographica Section C 59(1) (2003) m27-m29

176,432

2020-10-21

18:00:00

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2,013,165

7.1219

0.0015

10.694

0.002

14.71

0.003

90

null

101.996

0.004

90

null

1,095.9

0.4

193

2

193

2

null

5

P 1 21/n 1

-P 2yn

14

Risedronate monohydrate

[1-hydroxy-1-phosphono-2-(pyridinium-3-yl)ethyl] phosphonate monohydrate

- C7 H13 N O8 P2 -

- C28 H52 N4 O32 P8 -

4

1

GG1145

Gossman, William L.; Wilson, Scott R.; Oldfield, Eric

Three hydrates of the bisphosphonate risedronate, consisting of one molecular and two ionic structures

Acta Crystallographica Section C

2,003

59

2

m33

m36

10.1107/S0108270102021996

0.71073

MoKα

0.081

0.043

null

0.094

0.108

null

1.014

null

has coordinates,has disorder,has Fobs

Gossman, William L.; Wilson, Scott R.; Oldfield, Eric Three hydrates of the bisphosphonate risedronate, consisting of one molecular and two ionic structures Acta Crystallographica Section C 59(2) (2003) m33-m36

301,798

2025-08-19

6:42:13

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2,013,166

7.663

0.004

8.039

0.004

10.77

0.005

93.655

0.008

95.277

0.009

96.017

0.008

655.2

0.6

193

2

193

2

null

6

P -1

-P 1

2

Risedronate monosodium dihydrate

sodium [1-hydroxy-2-(pyridinium-3-yl)ethane-1,2-diyl]bis(phosphonate) dihydrate

- C7 H14 N Na O9 P2 -

- C14 H28 N2 Na2 O18 P4 -

2

1

GG1145

Gossman, William L.; Wilson, Scott R.; Oldfield, Eric

Three hydrates of the bisphosphonate risedronate, consisting of one molecular and two ionic structures

Acta Crystallographica Section C

2,003

59

2

m33

m36

10.1107/S0108270102021996

0.71073

MoKα

0.061

0.04

null

0.091

0.1

null

1.024

null

has coordinates,has Fobs

Gossman, William L.; Wilson, Scott R.; Oldfield, Eric Three hydrates of the bisphosphonate risedronate, consisting of one molecular and two ionic structures Acta Crystallographica Section C 59(2) (2003) m33-m36

176,760

2020-10-21

18:00:00

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2,013,167

21.664

0.007

8.93

0.003

15.123

0.005

90

null

114.692

0.005

90

null

2,658.2

1.5

193

2

193

2

null

6

C 1 2/c 1

-C 2yc

15

Risedronate monosodium hemi-pentahydrate

sodium [1-hydroxy-2-(pyridinium-3-yl)ethane-1,2-diyl]bis(phosphonate) 2.5-hydrate

- C7 H15 N Na O9.5 P2 -

- C56 H120 N8 Na8 O76 P16 -

8

1

GG1145

Gossman, William L.; Wilson, Scott R.; Oldfield, Eric

Three hydrates of the bisphosphonate risedronate, consisting of one molecular and two ionic structures

Acta Crystallographica Section C

2,003

59

2

m33

m36

10.1107/S0108270102021996

0.71073

MoKα

0.036

0.03

null

0.079

0.082

null

1.046

null

has coordinates,has disorder,has Fobs

Gossman, William L.; Wilson, Scott R.; Oldfield, Eric Three hydrates of the bisphosphonate risedronate, consisting of one molecular and two ionic structures Acta Crystallographica Section C 59(2) (2003) m33-m36

176,435

2020-10-21

18:00:00

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2,013,168

14.144

0.005

10.907

0.003

9.052

0.003

90

null

104.196

0.005

90

null

1,353.8

0.8

193

2

193

2

null

5

P 1 21/c 1

-P 2ybc

14

- C8 H21 N O7 P2 -

- C32 H84 N4 O28 P8 -

4

1

GG1146

Van Brussel, Erin M.; Gossman, William L.; Wilson, Scott R.; Oldfield, Eric

Hydronium (cycloheptylammonio)methylene-1,1-bisphosphonate (hydronium incadronate)

Acta Crystallographica Section C

2,003

59

2

o93

o94

10.1107/S0108270102020450

0.71073

MoKα

0.0935

0.0578

null

0.1463

0.1622

null

1.052

null

has coordinates,has Fobs

Van Brussel, Erin M.; Gossman, William L.; Wilson, Scott R.; Oldfield, Eric Hydronium (cycloheptylammonio)methylene-1,1-bisphosphonate (hydronium incadronate) Acta Crystallographica Section C 59(2) (2003) o93-o94

301,798

2025-08-19

6:42:13

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2,013,169

12.4954

0.0004

13.0617

0.0005

14.9097

0.0007

90

null

103.484

0.0013

90

null

2,366.35

0.16

293

2

293

2

null

3

P 1 21/n 1

-P 2yn

14

2,7,12,17-tetraoxa-3,4;5,6;13,14;15,16-tetrabenzodispiro[8.1.8.0]nonadecane

- C31 H26 O4 -

- C124 H104 O16 -

4

1

GG1148

Stadnicka, Katarzyna; Szlachcic, Paweł

2,7,12,17-Tetraoxa-3,4:5,6:13,14:15,16-tetrabenzodispiro[8.1.8.0]nonadecane

Acta Crystallographica Section C

2,003

59

3

o129

o131

10.1107/S0108270103001963

0.71073

MoKα

0.0527

0.0392

null

0.0985

0.1092

null

0.924

null

has coordinates,has Fobs

Stadnicka, Katarzyna; Szlachcic, Paweł 2,7,12,17-Tetraoxa-3,4:5,6:13,14:15,16-tetrabenzodispiro[8.1.8.0]nonadecane Acta Crystallographica Section C 59(3) (2003) o129-o131

301,798

2025-08-19

6:42:13

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2,013,170

12.319

0.002

10.976

0.002

22.826

0.004

90

null

90

null

90

null

3,086.4

0.9

293

2

293

2

null

5

P b c a

-P 2ac 2ab

61

7,16-diazonia-18-crown-6-bis(4-aminobenzenesulfonate) dihydrate

1,4,10,13-tetraoxa-7,16-diazoniacyclooctadecane bis(4-aminobenzenesulfonate) dihydrate

- C24 H44 N4 O12 S2 -

- C96 H176 N16 O48 S8 -

4

0.5

GG1151

Fonari, Marina S.; Simonov, Yurii A.; Botoshansky, Mark; Ganin, Eduard V.; Yavolovskii, Arkadii A.

The hydrogen-bonded adduct 7,16-diazonia-18-crown-6‒4-aminobenzenesulfonate‒water (1/2/2)

Acta Crystallographica Section C

2,003

59

2

o88

o90

10.1107/S010827010300129X

0.71073

MoKα

0.076

0.042

null

0.106

0.118

null

1.038

null

has coordinates,has disorder,has Fobs

Fonari, Marina S.; Simonov, Yurii A.; Botoshansky, Mark; Ganin, Eduard V.; Yavolovskii, Arkadii A. The hydrogen-bonded adduct 7,16-diazonia-18-crown-6‒4-aminobenzenesulfonate‒water (1/2/2) Acta Crystallographica Section C 59(2) (2003) o88-o90

176,432

2020-10-21

18:00:00

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2,013,171

8.23

0.0016

9.341

0.0018

12.594

0.003

73.91

0.03

88.14

0.03

70.8

0.03

876.7

0.4

293

2

293

2

null

5

P -1

-P 1

2

N-phenylcarbonylthiourea

1-benzoylthiourea

- C8 H8 N2 O S -

- C32 H32 N8 O4 S4 -

4

2

GG1152

Wagner, Paweł; Niemczyk-Baltro, Sabina; Kubicki, Maciej

N-Benzoylthiourea

Acta Crystallographica Section C

2,003

59

2

o83

o84

10.1107/S0108270103001161

0.71073

MoKα

0.089

0.034

null

0.066

0.071

null

0.999

null

has coordinates,has Fobs

Wagner, Paweł; Niemczyk-Baltro, Sabina; Kubicki, Maciej N-Benzoylthiourea Acta Crystallographica Section C 59(2) (2003) o83-o84

301,798

2025-08-19

6:42:13

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2,013,172

29.158

0.002

13.9891

0.001

9.9578

0.0007

90

null

91.597

0.005

90

null

4,060.2

0.5

120

2

120

2

null

3

C 1 2/c 1

-C 2yc

15

Pomiferin

3-(3,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-enyl)-4H,8H- pyrano[2,3-h]chromen-4-one

- C25 H24 O6 -

- C200 H192 O48 -

8

1

GG1154

Marek, Jaromír; Veselá, Dagmar; Lišková, Margita; Žemlička, Milan

Pomiferin

Acta Crystallographica Section C

2,003

59

3

o127

o128

10.1107/S0108270103002300

0.71073

MoKα

0.052

0.042

null

0.089

0.095

null

1.022

null

has coordinates,has Fobs

Marek, Jaromír; Veselá, Dagmar; Lišková, Margita; Žemlička, Milan Pomiferin Acta Crystallographica Section C 59(3) (2003) o127-o128

301,798

2025-08-19

6:42:13

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2,013,173

10.562

0.0007

11.4321

0.0018

13.7109

0.0013

90

null

91.587

0.009

90

null

1,654.9

0.3

293

2

293

2

null

6

P 1 21/c 1

-P 2ybc

14

bis(7-aminobenzothiazole)zinc(II) chloride

Bis(7-amino-1,3-benzothiazole-κN^3^)dichlorozinc(II)

- C14 H12 Cl2 N4 S2 Zn -

- C56 H48 Cl8 N16 S8 Zn4 -

4

1

JZ1531

Popović, Zora; Pavlović, Gordana; Soldin, Željka; Tralić-Kulenović, Vesna; Racané, Livio

Bis(7-amino-1,3-benzothiazole-κN^3^)dichlorozinc(II)

Acta Crystallographica Section C

2,003

59

1

m4

m6

10.1107/S0108270102020668

0.71073

MoKα

0.069

0.032

null

0.066

0.075

null

1.016

null

has coordinates,has Fobs

Popović, Zora; Pavlović, Gordana; Soldin, Željka; Tralić-Kulenović, Vesna; Racané, Livio Bis(7-amino-1,3-benzothiazole-κN^3^)dichlorozinc(II) Acta Crystallographica Section C 59(1) (2003) m4-m6

211,332

2020-10-21

18:00:00

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2,013,174

14.41

0.02

7.282

0.006

14.672

0.002

90

null

99.96

0.06

90

null

1,516

2

293

2

293

2

null

5

C 1 2/c 1

-C 2yc

15

N-chloroacetyl-β-alanine

- C5 H8 Cl N O3 -

- C40 H64 Cl8 N8 O24 -

8

1

JZ1532

Urpí, Lourdes; Jiménez, Katia; Solans, Xavier; Rodríguez-Galán, Alfonso; Puiggalí, Jordi

N-Chloroacetyl-β-alanine

Acta Crystallographica Section C

2,003

59

1

o24

o26

10.1107/S0108270102020814

0.71073

MoKα

0.1075

0.0522

null

0.1234

0.1448

null

1.027

null

has coordinates

Urpí, Lourdes; Jiménez, Katia; Solans, Xavier; Rodríguez-Galán, Alfonso; Puiggalí, Jordi N-Chloroacetyl-β-alanine Acta Crystallographica Section C 59(1) (2003) o24-o26

301,798

2025-08-19

6:42:13

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2,013,175

7.1816

0.0004

9.6857

0.0005

10.1259

0.0005

67.825

0.001

72.047

0.001

83.078

0.001

620.48

0.06

293

2

293

2

null

5

P -1

-P 1

2

catena-poly[[silver(I)-μ-ethylenediamine-κ^2^N:N'] 3-nitrobenzoate monohydrate]

- C9 H14 Ag N3 O5 -

- C18 H28 Ag2 N6 O10 -

2

1

JZ1543

Anwar Usman; Hoong-Kun Fun; Suchada Chantrapromma; Hai-Liang Zhu; Xian-Jiang Wang

Polymeric structure of (ethylenediamine)silver(I) 3-nitrobenzoate monohydrate

Acta Crystallographica Section C

2,003

59

3

m97

m99

10.1107/S0108270103003433

0.71073

MoKα

0.0249

0.0231

null

0.0546

0.0554

null

1.133

null

has coordinates,has Fobs

Anwar Usman; Hoong-Kun Fun; Suchada Chantrapromma; Hai-Liang Zhu; Xian-Jiang Wang Polymeric structure of (ethylenediamine)silver(I) 3-nitrobenzoate monohydrate Acta Crystallographica Section C 59(3) (2003) m97-m99

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/2/01/31/2013175.cif $ #-------------------------------------------------------------------...

2,013,176

10.3302

0.0006

12.8582

0.0007

13.827

0.0008

87.432

0.001

74.956

0.001

76.067

0.001

1,721.17

0.17

100

2

100

2

null

6

P -1

-P 1

2

(O-ethyldithiocarbonato-κ^2^S,S')bis(triphenylphosphine-κP)silver(I)

- C39 H35 Ag O P2 S2 -

- C78 H70 Ag2 O2 P4 S4 -

2

1

JZ1546

Ara, Irene; El Bahij, Fatima; Lachkar, Mohamed; Ben Larbi, Najib

A new polymorph of (O-ethyl dithiocarbonato-κ^2^S,S')bis(triphenylphosphine-κP)silver(I)

Acta Crystallographica Section C

2,003

59

3

m107

m108

10.1107/S0108270103003445

0.71073

MoKα

0.0392

0.0316

null

0.0654

0.0671

null

0.935

null

has coordinates,has Fobs

Ara, Irene; El Bahij, Fatima; Lachkar, Mohamed; Ben Larbi, Najib A new polymorph of (O-ethyl dithiocarbonato-κ^2^S,S')bis(triphenylphosphine-κP)silver(I) Acta Crystallographica Section C 59(3) (2003) m107-m108

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/2/01/31/2013176.cif $ #-------------------------------------------------------------------...

2,013,177

10.1931

0.0007

10.5503

0.0005

11.956

0.0007

90.932

0.004

103.252

0.005

101.923

0.005

1,221.78

0.13

293

2

293

2

null

6

P -1

-P 1

2

diphenyl [3-methyl-1-(3-phenylthioureido)butyl]phosphonate

- C24 H27 N2 O3 P S -

- C48 H54 N4 O6 P2 S2 -

2

1

LN1150

Chęcińska, Lilianna; Sieroń, Lesław; Bukowska-Strzyżewska, Maria; Kudzin, Zbigniew H.; Fábián, László

Two derivatives of (N-phenylthioureidoalkyl)phosphonates

Acta Crystallographica Section C

2,003

59

1

o46

o50

10.1107/S0108270102021820

0.71073

MoKα

0.079

0.049

null

0.134

0.153

null

1.078

null

has coordinates,has disorder,has Fobs

Chęcińska, Lilianna; Sieroń, Lesław; Bukowska-Strzyżewska, Maria; Kudzin, Zbigniew H.; Fábián, László Two derivatives of (N-phenylthioureidoalkyl)phosphonates Acta Crystallographica Section C 59(1) (2003) o46-o50

301,798

2025-08-19

6:42:13

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2,013,178

9.9402

0.0004

16.7505

0.0006

14.1979

0.0005

90

null

91.973

0.003

90

null

2,362.6

0.15

293

2

293

2

null

6

P 1 21/c 1

-P 2ybc

14

diphenyl [2-methyl-1-(3-phenylthioureido)butyl]phosphonate

- C24 H27 N2 O3 P S -

- C96 H108 N8 O12 P4 S4 -

4

1

LN1150

Chęcińska, Lilianna; Sieroń, Lesław; Bukowska-Strzyżewska, Maria; Kudzin, Zbigniew H.; Fábián, László

Two derivatives of (N-phenylthioureidoalkyl)phosphonates

Acta Crystallographica Section C

2,003

59

1

o46

o50

10.1107/S0108270102021820

0.71073

MoKα

0.066

0.045

null

0.118

0.132

null

1.161

null

has coordinates,has disorder,has Fobs

Chęcińska, Lilianna; Sieroń, Lesław; Bukowska-Strzyżewska, Maria; Kudzin, Zbigniew H.; Fábián, László Two derivatives of (N-phenylthioureidoalkyl)phosphonates Acta Crystallographica Section C 59(1) (2003) o46-o50

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$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/2/01/31/2013178.cif $ #-------------------------------------------------------------------...

2,013,179

16.055

0.004

6.2858

0.0017

16.895

0.005

90

null

109.299

0.005

90

null

1,609.2

0.8

293

2

293

2

null

4

C 1 2 1

C 2y

5

dhurrin

(2R)-α-(β-D-Glucopyranosyloxy)-4-hydroxybenzeneacetonitrile dihydrate

- C14 H21 N O9 -

- C56 H84 N4 O36 -

4

1

LN1156

Calderón, Angela I.; Terreaux, Christian; Gupta, Mahabir P.; Hostettmann, Kurt; Schenk, Kurt J.

Taxiphyllin from Henriettella fascicularis

Acta Crystallographica Section C

2,003

59

3

o174

o176

10.1107/S0108270103001355

0.71073

MoKα

0.061

0.033

null

0.043

0.047

null

0.842

null

has coordinates,has Fobs

Calderón, Angela I.; Terreaux, Christian; Gupta, Mahabir P.; Hostettmann, Kurt; Schenk, Kurt J. Taxiphyllin from Henriettella fascicularis Acta Crystallographica Section C 59(3) (2003) o174-o176

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$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/2/01/31/2013179.cif $ #-------------------------------------------------------------------...

2,013,180

18.6705

0.0008

5.9427

0.0002

13.3961

0.0004

90

null

104.637

0.004

90

null

1,438.1

0.09

150

2

150

2

null

6

C 1 2/c 1

-C 2yc

15

Dichlorobis(DL-proline-κO)zinc(II)

- C10 H18 Cl2 N2 O4 Zn -

- C40 H72 Cl8 N8 O16 Zn4 -

4

0.5

LN1157

Lutz, Martin; Bakker, Ruud

Dichlorobis(DL-proline-κO)zinc(II)

Acta Crystallographica Section C

2,003

59

1

m18

m20

10.1107/S0108270102021832

0.71073

MoKα

0.023

0.018

null

0.045

0.048

null

1.076

null

has coordinates,has Fobs

Lutz, Martin; Bakker, Ruud Dichlorobis(DL-proline-κO)zinc(II) Acta Crystallographica Section C 59(1) (2003) m18-m20

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/2/01/31/2013180.cif $ #-------------------------------------------------------------------...

2,013,181

10.28

0.002

10.497

0.004

16.175

0.004

75.91

0.02

80.81

0.02

68

0.03

1,565.1

0.8

293

2

293

2

null

4

P -1

-P 1

2

bromo methoxy osthol

8-(2-Bromo-3-methoxy-3-methylbutyl)-7-methoxycoumarin

- C16 H19 Br O4 -

- C64 H76 Br4 O16 -

4

2

NA1573

Solomon, K. Anand; Rajan, S. S.; Geetha Gopalakrishnan; Kashinath, V.; Santhana Krishnan, V. P.

8-(2-Bromo-3-methoxy-3-methylbutyl)-7-methoxycoumarin

Acta Crystallographica Section C

2,003

59

1

o40

o41

10.1107/S0108270102020838

1.5418

CuKα

0.073

0.06

null

0.164

0.173

null

1.311

null

has coordinates,has Fobs

Solomon, K. Anand; Rajan, S. S.; Geetha Gopalakrishnan; Kashinath, V.; Santhana Krishnan, V. P. 8-(2-Bromo-3-methoxy-3-methylbutyl)-7-methoxycoumarin Acta Crystallographica Section C 59(1) (2003) o40-o41

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$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/2/01/31/2013181.cif $ #-------------------------------------------------------------------...

2,013,182

8.1442

0.0017

6.5456

0.0011

12.285

0.002

90

null

90

null

90

null

654.9

0.2

120

2

120

2

null

4

P n m a

-P 2ac 2n

62

2-Amino-4-methoxy-6-methylpyrimidine

- C6 H9 N3 O -

- C24 H36 N12 O4 -

4

0.5

NA1584

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

Hydrogen bonding in 2-amino-4-methoxy-6-methylpyrimidine, 2-benzylamino-4-benzyloxy-6-methylpyrimidine and 4-benzylamino-2,6-bis(benzyloxy)pyrimidine: π-stacked chains of fused R~2~^2^(8) rings, and centrosymmetric R~2~^2^(8) dimers

Acta Crystallographica Section C

2,003

59

1

o9

o13

10.1107/S0108270102020206

0.71073

MoKα

0.0931

0.0497

null

0.1149

0.1357

null

0.983

null

has coordinates,has Fobs

Glidewell, Christopher; Low, John N.; Melguizo, Manuel; Quesada, Antonio Hydrogen bonding in 2-amino-4-methoxy-6-methylpyrimidine, 2-benzylamino-4-benzyloxy-6-methylpyrimidine and 4-benzylamino-2,6-bis(benzyloxy)pyrimidine: π-stacked chains of fused R~2~^2^(8) rings, and centrosymmetric R~2~^2^(8) dimers ...

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/2/01/31/2013182.cif $ #-------------------------------------------------------------------...

2,013,183

5.8932

0.0002

18.2849

0.0007

15.1175

0.0007

90

null

98.704

0.002

90

null

1,610.25

0.11

120

2

120

2

null

4

P 1 21/c 1

-P 2ybc

14

2-Benzylamino-4-benzyloxy-6-methylpyrimidine

- C19 H19 N3 O -

- C76 H76 N12 O4 -

4

1

NA1584

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

Hydrogen bonding in 2-amino-4-methoxy-6-methylpyrimidine, 2-benzylamino-4-benzyloxy-6-methylpyrimidine and 4-benzylamino-2,6-bis(benzyloxy)pyrimidine: π-stacked chains of fused R~2~^2^(8) rings, and centrosymmetric R~2~^2^(8) dimers

Acta Crystallographica Section C

2,003

59

1

o9

o13

10.1107/S0108270102020206

0.71073

MoKα

0.0929

0.0503

null

0.1084

0.125

null

0.998

null

has coordinates,has Fobs

Glidewell, Christopher; Low, John N.; Melguizo, Manuel; Quesada, Antonio Hydrogen bonding in 2-amino-4-methoxy-6-methylpyrimidine, 2-benzylamino-4-benzyloxy-6-methylpyrimidine and 4-benzylamino-2,6-bis(benzyloxy)pyrimidine: π-stacked chains of fused R~2~^2^(8) rings, and centrosymmetric R~2~^2^(8) dimers ...

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$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/2/01/31/2013183.cif $ #-------------------------------------------------------------------...

2,013,184

5.6056

0.0002

18.2446

0.0005

20.648

0.0008

90

null

100.965

0.001

90

null

2,073.16

0.12

120

2

120

2

null

4

P 1 21/c 1

-P 2ybc

14

4-Benzylamino-2,6-bis(benzyloxy)pyrimidine

- C25 H23 N3 O2 -

- C100 H92 N12 O8 -

4

1

NA1584

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

Hydrogen bonding in 2-amino-4-methoxy-6-methylpyrimidine, 2-benzylamino-4-benzyloxy-6-methylpyrimidine and 4-benzylamino-2,6-bis(benzyloxy)pyrimidine: π-stacked chains of fused R~2~^2^(8) rings, and centrosymmetric R~2~^2^(8) dimers

Acta Crystallographica Section C

2,003

59

1

o9

o13

10.1107/S0108270102020206

0.71073

MoKα

0.1109

0.0538

null

0.1113

0.1312

null

0.962

null

has coordinates,has Fobs

Glidewell, Christopher; Low, John N.; Melguizo, Manuel; Quesada, Antonio Hydrogen bonding in 2-amino-4-methoxy-6-methylpyrimidine, 2-benzylamino-4-benzyloxy-6-methylpyrimidine and 4-benzylamino-2,6-bis(benzyloxy)pyrimidine: π-stacked chains of fused R~2~^2^(8) rings, and centrosymmetric R~2~^2^(8) dimers ...

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$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/2/01/31/2013184.cif $ #-------------------------------------------------------------------...

2,013,185

9.713

0.006

19.265

0.008

10.45

0.002

90

null

105.74

0.03

90

null

1,882.1

1.5

293

2

293

2

null

4

P 1 21/a 1

-P 2yab

14

2-Nitroso-1,3-diphenyl-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridine

- C24 H19 N3 O -

- C96 H76 N12 O4 -

4

1

NA1587

Sivakumar, B.; Sethu Sankar, K.; Senthil Kumar, U. P.; Jeyaraman, R.; Velmurugan, D.

2-Nitroso-1,3-diphenyl-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridine

Acta Crystallographica Section C

2,003

59

3

o153

o155

10.1107/S0108270102022758

1.5418

CuKα

0.069

0.057

null

0.16

0.172

null

1.066

null

has coordinates,has Fobs

Sivakumar, B.; Sethu Sankar, K.; Senthil Kumar, U. P.; Jeyaraman, R.; Velmurugan, D. 2-Nitroso-1,3-diphenyl-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridine Acta Crystallographica Section C 59(3) (2003) o153-o155

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$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/2/01/31/2013185.cif $ #-------------------------------------------------------------------...

2,013,186

7.096

0.004

8.55

0.003

28.101

0.005

90

null

90.87

0.03

90

null

1,704.7

1.2

293

2

293

2

null

4

P 1 21/c 1

-P 2ybc

14

stilbene

4'-methoxy-α,2,3'4-tetranitrostilbene

- C15 H10 N4 O9 -

- C60 H40 N16 O36 -

4

1

NA1588

SethuSankar, K.; Saravanan, S.; Velmurugan, D.; Parvez, Masood

A cis-stilbene derivative

Acta Crystallographica Section C

2,003

59

3

o156

o158

10.1107/S0108270103000878

1.54178

CuKα

0.0553

0.0509

null

0.1475

0.1531

null

1.051

null

has coordinates,has Fobs

SethuSankar, K.; Saravanan, S.; Velmurugan, D.; Parvez, Masood A cis-stilbene derivative Acta Crystallographica Section C 59(3) (2003) o156-o158

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$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/2/01/31/2013186.cif $ #-------------------------------------------------------------------...

2,013,187

11.878

0.005

13.329

0.005

16.677

0.005

90

null

104.085

0.005

90

null

2,561

1.6

293

2

293

2

null

7

P 1 21/c 1

-P 2ybc

14

Gold sulfadiazine

[4-Amino-N-(pyrimidin-2-yl)benzenesulfonamido-κN](triphenylphosphine- κP)gold(I)

- C28 H24 Au N4 O2 P S -

- C112 H96 Au4 N16 O8 P4 S4 -

4

1

NA1589

Schulz Lang, Ernesto; Burrow, Robert Alan; Marques, Lenice de Lourenço

[4-Amino-N-(pyrimidin-2-yl)benzenesulfonamido-κN](triphenylphosphine-κP)gold(I)

Acta Crystallographica Section C

2,003

59

3

m95

m96

10.1107/S0108270103001914

0.71069

MoKα

0.027

0.019

null

0.043

0.045

null

1.015

null

has coordinates,has Fobs

Schulz Lang, Ernesto; Burrow, Robert Alan; Marques, Lenice de Lourenço [4-Amino-N-(pyrimidin-2-yl)benzenesulfonamido-κN](triphenylphosphine-κP)gold(I) Acta Crystallographica Section C 59(3) (2003) m95-m96

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$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/2/01/31/2013187.cif $ #-------------------------------------------------------------------...

2,013,188

10.638

0.002

17.857

0.004

6.958

0.001

90

null

91.42

0.03

90

null

1,321.4

0.4

293

2

293

2

null

4

P 1 21/c 1

-P 2ybc

14

5-Phenyl-9H-1,3-dioxolo[4,5-h][2,3]benzodiazepin-8(7H)-one

- C16 H12 N2 O3 -

- C64 H48 N8 O12 -

4

1

NA1590

Bruno, Giuseppe; Nicoló, Francesco; Gitto, Rosaria; Micale, Nicola; Rosace, Giuseppe

5-Phenyl-9H-1,3-dioxolo[4,5-h][2,3]benzodiazepin-8(7H)-one

Acta Crystallographica Section C

2,003

59

3

o117

o119

10.1107/S010827010300088X

0.71073

MoKα

0.071

0.056

null

0.142

0.151

null

0.942

null

has coordinates,has Fobs

Bruno, Giuseppe; Nicoló, Francesco; Gitto, Rosaria; Micale, Nicola; Rosace, Giuseppe 5-Phenyl-9H-1,3-dioxolo[4,5-h][2,3]benzodiazepin-8(7H)-one Acta Crystallographica Section C 59(3) (2003) o117-o119

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$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/2/01/31/2013188.cif $ #-------------------------------------------------------------------...

2,013,189

7.5764

0.001

8.7614

0.0011

10.8154

0.0014

92.965

0.003

97.881

0.002

108.709

0.003

670.05

0.15

298

1

293

2

null

6

P -1

-P 1

2

Dibromo(pyridoxal semicarbazone-κ^3^N^1^,O^3^,O^3'^)copper(II)

- C9 H12 Br2 Cu N4 O3 -

- C18 H24 Br4 Cu2 N8 O6 -

2

1

NA1591

Poleti, Dejan; Karanović, Ljiljana; Leovac, Vukadin M.; Jevtović, Violeta S.

Dibromo(pyridoxal semicarbazone-κ^3^N^1^,O^3^,O^3'^)copper(II)

Acta Crystallographica Section C

2,003

59

3

m73

m75

10.1107/S0108270103001215

0.71073

MoKα

0.061

0.033

null

0.058

0.063

null

0.852

null

has coordinates,has Fobs

Poleti, Dejan; Karanović, Ljiljana; Leovac, Vukadin M.; Jevtović, Violeta S. Dibromo(pyridoxal semicarbazone-κ^3^N^1^,O^3^,O^3'^)copper(II) Acta Crystallographica Section C 59(3) (2003) m73-m75

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/2/01/31/2013189.cif $ #-------------------------------------------------------------------...

2,013,190

10.2647

0.0011

24.976

0.003

9.7963

0.0011

90

null

104.76

0.002

90

null

2,428.6

0.5

293

2

293

2

null

6

P 1 21/c 1

-P 2ybc

14

N-{4-Bromo-2-[(3-bromo-1-phenylsulfonyl-1H-indol-2-yl)methyl]- 5-methoxyphenyl}acetamide

- C24 H20 Br2 N2 O4 S -

- C96 H80 Br8 N8 O16 S4 -

4

1

NA1592

Ravishankar, T.; Chinnakali, K.; Arumugam, N.; Srinivasan, P. C.; Usman, Anwar; Fun, Hoong-Kun

N-{4-Bromo-2-[(3-bromo-1-phenylsulfonyl-1H-indol-2-yl)methyl]-5-methoxyphenyl}acetamide

Acta Crystallographica Section C

2,003

59

3

o137

o140

10.1107/S0108270103001410

0.71073

MoKα

0.088

0.041

null

0.081

0.097

null

0.999

null

has coordinates,has Fobs

Ravishankar, T.; Chinnakali, K.; Arumugam, N.; Srinivasan, P. C.; Usman, Anwar; Fun, Hoong-Kun N-{4-Bromo-2-[(3-bromo-1-phenylsulfonyl-1H-indol-2-yl)methyl]-5-methoxyphenyl}acetamide Acta Crystallographica Section C 59(3) (2003) o137-o140

301,798

2025-08-19

6:42:13

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2,013,191

14.801

0.003

8.306

0.002

14.441

0.002

90

null

114.15

0.01

90

null

1,620

0.6

288

2

288

2

null

4

P 1 21/c 1

-P 2ybc

14

4,5,9,10-Tetrahydro-4-methyl-2-phenyl-9,10-epoxy- 3H,10aH-cyclobuta[a]benzo[2,3,4-de]isoquinoline-3,5-dione

- C21 H15 N O3 -

- C84 H60 N4 O12 -

4

1

OB1086

Liu, Qingjian; Li, Yizhi; Shi, Daqing; Xu, Jianhua

4,5,9,10-Tetrahydro-4-methyl-2-phenyl-9,10-epoxy-3H,10aH-cyclobuta[a]benzo[2,3,4-de]isoquinoline-3,5-dione

Acta Crystallographica Section C

2,003

59

1

o36

o37

10.1107/S0108270102021650

0.71073

MoKα

0.068

0.041

null

0.1

0.11

null

0.968

null

has coordinates,has Fobs

Liu, Qingjian; Li, Yizhi; Shi, Daqing; Xu, Jianhua 4,5,9,10-Tetrahydro-4-methyl-2-phenyl-9,10-epoxy-3H,10aH-cyclobuta[a]benzo[2,3,4-de]isoquinoline-3,5-dione Acta Crystallographica Section C 59(1) (2003) o36-o37

301,798

2025-08-19

6:42:13

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2,013,192

16.663

0.002

10.6209

0.0005

17.652

0.002

90

null

113.725

0.004

90

null

2,860

0.5

173.2

null

5

P 1 21/a 1

-P 2yab

14

- C28 H44 Cl2 N2 Pt -

- C112 H176 Cl8 N8 Pt4 -

4

1

OB1092

Kato, Masako; Ikemori, Mana

Dichloro(4,4'-dinonyl-2,2'-bipyridine-κ^2^N,N')platinum(II)

Acta Crystallographica Section C

2,003

59

1

m25

m26

10.1107/S010827010202156X

0.7107

MoKα

null

0.04

null

0.084

null

1.15

null

has coordinates,has Fobs

Kato, Masako; Ikemori, Mana Dichloro(4,4'-dinonyl-2,2'-bipyridine-κ^2^N,N')platinum(II) Acta Crystallographica Section C 59(1) (2003) m25-m26

176,760

2020-10-21

18:00:00

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2,013,193

9.1026

0.0007

12.1235

0.0009

18.019

0.001

90

null

101.219

0.003

90

null

1,950.5

0.2

153.2

null

153

null

5

P 1 21/c 1

-P 2ybc

14

8a-Azoniahexahelicene hexafluorophosphate

- C25 H16 F6 N P -

- C100 H64 F24 N4 P4 -

4

1

OB1095

Sato, Kiyoshi; Arai, Sadao; Yamagishi, Takamichi; Tanase, Tomoaki

An azonia derivative of hexahelicene

Acta Crystallographica Section C

2,003

59

3

o162

o164

10.1107/S0108270102023739

0.7107

MoKα

null

0.0379

null

0.1256

null

0.915

null

has coordinates,has Fobs

Sato, Kiyoshi; Arai, Sadao; Yamagishi, Takamichi; Tanase, Tomoaki An azonia derivative of hexahelicene Acta Crystallographica Section C 59(3) (2003) o162-o164

301,798

2025-08-19

6:42:13

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2,013,194

10.1453

0.0003

10.1467

0.0004

10.3571

0.0003

90

null

92.632

0.003

90

null

1,065.05

0.06

293

2

293

2

null

4

C 1 2/c 1

-C 2yc

15

hexaaquanickel(II) bys(hypophosphite)

- H16 Ni O10 P2 -

- H64 Ni4 O40 P8 -

4

0.5

SK1594

Kuratieva, Natalia V.; Naumova, Marina I.; Naumov, Dmitry Yu.; Podberezskaya, Nina V.

Hexaaquanickel(II) bis(hypophosphite)

Acta Crystallographica Section C

2,003

59

1

i1

i3

10.1107/S0108270102018541

0.71073

MoKα

0.0301

0.0283

null

0.0794

0.0809

null

1.057

null

has coordinates

Kuratieva, Natalia V.; Naumova, Marina I.; Naumov, Dmitry Yu.; Podberezskaya, Nina V. Hexaaquanickel(II) bis(hypophosphite) Acta Crystallographica Section C 59(1) (2003) i1-i3

301,798

2025-08-19

6:42:13

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2,013,195

9.4143

0.0004

13.0869

0.0004

7.5774

0.0002

90

null

96.426

0.0013

90

null

927.7

0.05

120

2

120

2

null

5

P 1 21/c 1

-P 2ybc

14

2-Amino-4-chloro-6-morpholinopyrimidine, Z' = 1 polymorph

- C8 H11 Cl N4 O -

- C32 H44 Cl4 N16 O4 -

4

1

SK1595

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

Two polymorphs, with Z' = 1 and 2, of 2-amino-4-chloro-6-morpholinopyrimidine in P2~1~/c, and 2-amino-4-chloro-6-piperidinopyrimidine, which is isomorphous and almost isostructural with the Z' = 2 polymorph

Acta Crystallographica Section C

2,003

59

1

o4

o8

10.1107/S0108270102020012

0.71073

MoKα

0.0497

0.0361

null

0.0853

0.0918

null

1.048

null

has coordinates,has Fobs

Bowes, Katharine F.; Glidewell, Christopher; Low, John N.; Melguizo, Manuel; Quesada, Antonio Two polymorphs, with Z' = 1 and 2, of 2-amino-4-chloro-6-morpholinopyrimidine in P2~1~/c, and 2-amino-4-chloro-6-piperidinopyrimidine, which is isomorphous and almost isostructural with the Z' = 2 p...

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$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/2/01/31/2013195.cif $ #-------------------------------------------------------------------...

2,013,196

13.9215

0.0003

8.1803

0.0002

19.639

0.0004

90

null

121.613

0.0012

90

null

1,904.65

0.08

150

1

150

1

null

5

P 1 21/c 1

-P 2ybc

14

2-Amino-4-chloro-6-morpholinopyrimidine, Z' = 2 polymorph

- C8 H11 Cl N4 O -

- C64 H88 Cl8 N32 O8 -

8

2

SK1595

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

Two polymorphs, with Z' = 1 and 2, of 2-amino-4-chloro-6-morpholinopyrimidine in P2~1~/c, and 2-amino-4-chloro-6-piperidinopyrimidine, which is isomorphous and almost isostructural with the Z' = 2 polymorph

Acta Crystallographica Section C

2,003

59

1

o4

o8

10.1107/S0108270102020012

0.71073

MoKα

0.0479

0.0369

null

0.0909

0.0967

null

1.04

null

has coordinates,has Fobs

Bowes, Katharine F.; Glidewell, Christopher; Low, John N.; Melguizo, Manuel; Quesada, Antonio Two polymorphs, with Z' = 1 and 2, of 2-amino-4-chloro-6-morpholinopyrimidine in P2~1~/c, and 2-amino-4-chloro-6-piperidinopyrimidine, which is isomorphous and almost isostructural with the Z' = 2 p...

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$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/2/01/31/2013196.cif $ #-------------------------------------------------------------------...

2,013,197

13.8139

0.0002

8.4804

0.0001

19.8379

0.0003

90

null

120.677

0.0009

90

null

1,998.74

0.05

120

1

120

1

null

4

P 1 21/c 1

-P 2ybc

14

2-Amino-4-chloro-6-piperidinopyrimidine

- C9 H13 Cl N4 -

- C72 H104 Cl8 N32 -

8

2

SK1595

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

Two polymorphs, with Z' = 1 and 2, of 2-amino-4-chloro-6-morpholinopyrimidine in P2~1~/c, and 2-amino-4-chloro-6-piperidinopyrimidine, which is isomorphous and almost isostructural with the Z' = 2 polymorph

Acta Crystallographica Section C

2,003

59

1

o4

o8

10.1107/S0108270102020012

0.71073

MoKα

0.0449

0.0332

null

0.0814

0.0865

null

1.039

null

has coordinates,has Fobs

Bowes, Katharine F.; Glidewell, Christopher; Low, John N.; Melguizo, Manuel; Quesada, Antonio Two polymorphs, with Z' = 1 and 2, of 2-amino-4-chloro-6-morpholinopyrimidine in P2~1~/c, and 2-amino-4-chloro-6-piperidinopyrimidine, which is isomorphous and almost isostructural with the Z' = 2 p...

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$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/2/01/31/2013197.cif $ #-------------------------------------------------------------------...

2,013,198

5.3406

0.0005

7.7727

0.0007

12.3901

0.0015

72.702

0.003

79.389

0.003

89.914

0.005

481.89

0.09

120

0.1

120

0.1

null

4

P -1

-P 1

2

Benzanilide

N-phenylbenzamide (triclinic polymorph)

- C13 H11 N O -

- C26 H22 N2 O2 -

2

1

SK1598

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

A triclinic polymorph of benzanilide: disordered molecules form hydrogen-bonded chains

Acta Crystallographica Section C

2,003

59

1

o1

o3

10.1107/S0108270102019996

0.71073

MoKα

0.149

0.061

null

0.13

0.16

null

0.959

null

has coordinates,has disorder,has Fobs

Bowes, Katharine F.; Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L. A triclinic polymorph of benzanilide: disordered molecules form hydrogen-bonded chains Acta Crystallographica Section C 59(1) (2003) o1-o3

301,798

2025-08-19

6:42:13

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2,013,199

7.3443

0.0002

7.8437

0.0002

14.9129

0.0004

90

null

109.947

0.0013

90

null

807.54

0.04

120

2

120

2

null

4

P 1 21/c 1

-P 2ybc

14

2-Amino-4,6-dimethoxy-5-nitropyrimidine

- C6 H8 N4 O4 -

- C24 H32 N16 O16 -

4

1

SK1599

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

Hydrogen bonding in nitroaniline analogues: hydrogen-bonded sheets in 2-amino-4,6-dimethoxy-5-nitropyrimidine and π-stacked hydrogen-bonded sheets in 4-amino-2,6-dimethoxy-5-nitropyrimidine

Acta Crystallographica Section C

2,003

59

1

o14

o18

10.1107/S0108270102020322

0.71073

MoKα

0.048

0.04

null

0.104

0.11

null

0.997

null

has coordinates,has Fobs

Glidewell, Christopher; Low, John N.; Melguizo, Manuel; Quesada, Antonio Hydrogen bonding in nitroaniline analogues: hydrogen-bonded sheets in 2-amino-4,6-dimethoxy-5-nitropyrimidine and π-stacked hydrogen-bonded sheets in 4-amino-2,6-dimethoxy-5-nitropyrimidine Acta Crystallographica Section C 59(1) (2003) o14-o18

301,798

2025-08-19

6:42:13

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2,013,200

6.8427

0.0002

9.9742

0.0005

13.2752

0.0005

79.007

0.002

75.577

0.003

72.547

0.002

830.46

0.06

120

1

120

2

null

4

P -1

-P 1

2

4-amino-2,6-dimethoxy-5-nitropyrimidine

- C6 H8 N4 O4 -

- C24 H32 N16 O16 -

4

2

SK1599

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

Hydrogen bonding in nitroaniline analogues: hydrogen-bonded sheets in 2-amino-4,6-dimethoxy-5-nitropyrimidine and π-stacked hydrogen-bonded sheets in 4-amino-2,6-dimethoxy-5-nitropyrimidine

Acta Crystallographica Section C

2,003

59

1

o14

o18

10.1107/S0108270102020322

0.71073

MoKα

0.08

0.05

null

0.12

0.135

null

1.022

null

has coordinates,has Fobs

Glidewell, Christopher; Low, John N.; Melguizo, Manuel; Quesada, Antonio Hydrogen bonding in nitroaniline analogues: hydrogen-bonded sheets in 2-amino-4,6-dimethoxy-5-nitropyrimidine and π-stacked hydrogen-bonded sheets in 4-amino-2,6-dimethoxy-5-nitropyrimidine Acta Crystallographica Section C 59(1) (2003) o14-o18

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$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/2/01/32/2013200.cif $ #-------------------------------------------------------------------...

2,013,201

20.5825

0.0013

8.8102

0.0004

13.0289

0.0011

90

null

109.81

0.003

90

null

2,222.8

0.3

120

1

120

1

null

4

C 1 2/c 1

-C 2yc

15

2-Amino-4-butylamino-6-methoxy-5-nitropyrimidine

- C9 H15 N5 O3 -

- C72 H120 N40 O24 -

8

1

SK1600

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

Hydrogen bonding in nitroaniline analogues: a hydrogen-bonded chain of rings in 2-amino-4-butylamino-6-methoxy-5-nitropyrimidine

Acta Crystallographica Section C

2,003

59

1

o19

o21

10.1107/S0108270102020991

0.71073

MoKα

0.17

0.063

null

0.127

0.163

null

0.935

null

has coordinates,has disorder,has Fobs

Glidewell, Christopher; Low, John N.; Melguizo, Manuel; Quesada, Antonio Hydrogen bonding in nitroaniline analogues: a hydrogen-bonded chain of rings in 2-amino-4-butylamino-6-methoxy-5-nitropyrimidine Acta Crystallographica Section C 59(1) (2003) o19-o21

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/2/01/32/2013201.cif $ #-------------------------------------------------------------------...

2,013,202

6.9388

0.0002

9.8852

0.0002

14.1962

0.0004

69.965

0.002

77.518

0.002

72.361

0.002

864.91

0.04

120

2

120

2

null

5

P -1

-P 1

2

Di-μ-aqua-bis[μ-6-amino-3-methyl-5-nitrosopyrimidine-2,4(1H,3H)-dionato- κ^3^O^4^,N^5^:O^5^]bis{diaqua[6-amino-3-methyl-5-nitrosopyrimidine-2,4(1H,3H)- dionato-κ^2^N^1^,O^2^]strontium(II)}

- C20 H32 N16 O18 Sr2 -

1

0.5

SK1602

Low, John N.; Arranz, Paloma; Cuesta, Rafael; Gutiérrez, M. Dolores; Glidewell, Christopher

Bis[μ-6-amino-3-methyl-5-nitrosopyrimidine-2,4(1H,3H)-dionato-κ^3^O^4^,N^5^:O^5^]-di-μ-aqua-bis{diaqua[6-amino-3-methyl-5-nitrosopyrimidine-2,4(1H,3H)-dionato-κ^2^N^1^,O^2^]strontium(II)}: centrosymmetric dimers containing nine-coordinate Sr, linked by mult...

Acta Crystallographica Section C

2,003

59

1

m21

m24

10.1107/S0108270102021492

0.71073

MoKα

0.033

0.028

null

0.066

0.068

null

1

null

has coordinates,has Fobs

Low, John N.; Arranz, Paloma; Cuesta, Rafael; Gutiérrez, M. Dolores; Glidewell, Christopher Bis[μ-6-amino-3-methyl-5-nitrosopyrimidine-2,4(1H,3H)-dionato-κ^3^O^4^,N^5^:O^5^]-di-μ-aqua-bis{diaqua[6-amino-3-methyl-5-nitrosopyrimidine-2,4(1H,3H)-dionato-κ^2^N^1^,O...

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/2/01/32/2013202.cif $ #-------------------------------------------------------------------...

2,013,203

25.247

0.002

4.0827

0.001

8.764

0.002

90

null

90

null

90

null

903.4

0.3

293

2

293

2

null

5

P 21 21 2

P 2 2ab

18

Strontium hexabromodicadmate(II) octahydrate

- Br6 Cd2 H16 O8 Sr -

- Br12 Cd4 H32 O16 Sr2 -

2

0.5

SK1605

Yahyaoui, Samia; Ben Hassen, Rached; Petříček, Vaclav; Dušek, Michal; Ben Salah, Abdelhamid

Strontium hexabromodicadmate(II) octahydrate

Acta Crystallographica Section C

2,003

59

3

i24

i26

10.1107/S0108270103002221

0.71069

MoKα

0.065

0.029

null

0.063

0.07

null

1.072

null

has coordinates,has Fobs

Yahyaoui, Samia; Ben Hassen, Rached; Petříček, Vaclav; Dušek, Michal; Ben Salah, Abdelhamid Strontium hexabromodicadmate(II) octahydrate Acta Crystallographica Section C 59(3) (2003) i24-i26

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/2/01/32/2013203.cif $ #-------------------------------------------------------------------...

2,013,204

9.5997

0.0001

10.4336

0.0001

10.6348

0.0002

72.0422

0.0006

85.3458

0.0005

80.8752

0.0006

999.87

0.02

160

1

160

1

null

4

P -1

-P 1

2

(E)-2-(2-adamantylidene)-3-(1-ferrocenylethylidene)succinic anhydride

- C26 H26 Fe O3 -

- C52 H52 Fe2 O6 -

2

1

SK1606

Al-Shihry, Shar S.; Linden, Anthony

(E)-2-(2-Adamantylidene)-3-(1-ferrocenylethylidene)succinic anhydride

Acta Crystallographica Section C

2,003

59

2

m40

m42

10.1107/S0108270102022722

0.71073

MoKα

0.039

0.031

null

0.078

0.081

null

1.064

null

has coordinates,has Fobs

Al-Shihry, Shar S.; Linden, Anthony (E)-2-(2-Adamantylidene)-3-(1-ferrocenylethylidene)succinic anhydride Acta Crystallographica Section C 59(2) (2003) m40-m42

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/2/01/32/2013204.cif $ #-------------------------------------------------------------------...

2,013,205

9.1467

0.0018

16.102

0.003

24.318

0.005

90

null

90

null

90

null

3,581.6

1.2

120

2

120

2

null

4

P b c a

-P 2ac 2ab

61

N-(1-Naphthylacetyl)glycine phenacyl ester

- C22 H19 N O4 -

- C176 H152 N8 O32 -

8

1

SK1607

Zabadal Miroslav; Heger Dominik; Nečas Marek; Klán Petr

N-(1-Naphthylacetyl)glycine phenacyl ester and phenacyl (1-naphthylacetoxy)acetate

Acta Crystallographica Section C

2,003

59

2

o77

o79

10.1107/S0108270103000155

0.71073

MoKα

0.0425

0.04

null

0.0831

0.0845

null

1.165

null

has coordinates,has Fobs

Zabadal Miroslav; Heger Dominik; Nečas Marek; Klán Petr N-(1-Naphthylacetyl)glycine phenacyl ester and phenacyl (1-naphthylacetoxy)acetate Acta Crystallographica Section C 59(2) (2003) o77-o79

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$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/2/01/32/2013205.cif $ #-------------------------------------------------------------------...

2,013,206

8.927

0.002

11.413

0.002

17.875

0.004

90

null

102.5

0.03

90

null

1,778

0.7

120

2

120

2

null

3

P 1 21/c 1

-P 2ybc

14

Phenacyl (1-naphthylacetoxy)acetate

- C22 H18 O5 -

- C88 H72 O20 -

4

1

SK1607

Zabadal Miroslav; Heger Dominik; Nečas Marek; Klán Petr

N-(1-Naphthylacetyl)glycine phenacyl ester and phenacyl (1-naphthylacetoxy)acetate

Acta Crystallographica Section C

2,003

59

2

o77

o79

10.1107/S0108270103000155

0.71073

MoKα

0.0375

0.0345

null

0.0821

0.0842

null

1.06

null

has coordinates,has Fobs

Zabadal Miroslav; Heger Dominik; Nečas Marek; Klán Petr N-(1-Naphthylacetyl)glycine phenacyl ester and phenacyl (1-naphthylacetoxy)acetate Acta Crystallographica Section C 59(2) (2003) o77-o79

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$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/2/01/32/2013206.cif $ #-------------------------------------------------------------------...

2,013,207

28.0787

0.0006

11.8671

0.0002

14.1533

0.0002

90

null

100.739

0.001

90

null

4,633.46

0.14

292

2

292

2

null

6

C 1 2/c 1

-C 2yc

15

bis(tetraethylammonium) hydrogensulfate dihydrogenphosphate

- C16 H43 N2 O8 P S -

- C128 H344 N16 O64 P8 S8 -

8

1

SK1608

Fábry, Jan; Krupková, Radmila; Císařová, Ivana; Jurek, Karel

Bis(tetraethylammonium) hydrogensulfate dihydrogenphosphate at 292 and 150K

Acta Crystallographica Section C

2,003

59

3

o120

o123

10.1107/S0108270103001471

0.71073

MoKα

0.05

0.042

null

0.116

0.123

null

1.095

null

has coordinates,has Fobs

Fábry, Jan; Krupková, Radmila; Císařová, Ivana; Jurek, Karel Bis(tetraethylammonium) hydrogensulfate dihydrogenphosphate at 292 and 150K Acta Crystallographica Section C 59(3) (2003) o120-o123

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/2/01/32/2013207.cif $ #-------------------------------------------------------------------...

2,013,208

27.946

0.0004

11.748

0.0002

14.059

0.0002

90

null

100.971

0.009

90

null

4,531.35

0.18

150

2

150

2

null

6

C 1 2/c 1

-C 2yc

15

bis(tetraethylammonium) hydrogensulfate dihydrogenphosphate

- C16 H43 N2 O8 P S -

- C128 H344 N16 O64 P8 S8 -

8

1

SK1608

Fábry, Jan; Krupková, Radmila; Císařová, Ivana; Jurek, Karel

Bis(tetraethylammonium) hydrogensulfate dihydrogenphosphate at 292 and 150K

Acta Crystallographica Section C

2,003

59

3

o120

o123

10.1107/S0108270103001471

0.71073

MoKα

0.048

0.041

null

0.109

0.113

null

1.174

null

has coordinates,has Fobs

Fábry, Jan; Krupková, Radmila; Císařová, Ivana; Jurek, Karel Bis(tetraethylammonium) hydrogensulfate dihydrogenphosphate at 292 and 150K Acta Crystallographica Section C 59(3) (2003) o120-o123

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/2/01/32/2013208.cif $ #-------------------------------------------------------------------...

2,013,209

24.0858

0.0011

5.0699

0.0002

10.508

0.0004

90

null

90

null

90

null

1,283.16

0.09

120

2

120

2

null

5

P c a 21

P 2c -2ac

29

2-Iodobenzaldehyde-4-nitrophenylhydrazone

- C13 H10 I N3 O2 -

- C52 H40 I4 N12 O8 -

4

1

SK1609

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

A chain of edge-fused rings generated by the combination of an N—H···O hydrogen bond and an iodo–nitro interaction in 2-iodobenzaldehyde 4-nitrophenylhydrazone versus disordered and effectively isolated molecules in 2-iodobenzaldehyde 2,4-dinitrophenylhydrazone

Acta Crystallographica Section C

2,003

59

3

o98

o101

10.1107/S0108270103001379

0.71073

MoKα

0.0654

0.0356

null

0.0714

0.0804

null

1.021

null

has coordinates,has Fobs

Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L. A chain of edge-fused rings generated by the combination of an N—H···O hydrogen bond and an iodo–nitro interaction in 2-iodobenzaldehyde 4-nitrophenylhydrazone versus disordered and effectively isolated molecules in 2-iodobenzaldehyde 2...

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$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/2/01/32/2013209.cif $ #-------------------------------------------------------------------...

2,013,210

7.889

0.0005

8.1405

0.0006

12.176

0.001

83.876

0.004

83.679

0.004

63.151

0.003

691.98

0.09

120

2

120

2

null

5

P -1

-P 1

2

2-Iodobenzaldehyde 2,4-dinitrophenylhydrazone

- C13 H9 I N4 O4 -

- C26 H18 I2 N8 O8 -

2

1

SK1609

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

A chain of edge-fused rings generated by the combination of an N—H···O hydrogen bond and an iodo–nitro interaction in 2-iodobenzaldehyde 4-nitrophenylhydrazone versus disordered and effectively isolated molecules in 2-iodobenzaldehyde 2,4-dinitrophenylhydrazone

Acta Crystallographica Section C

2,003

59

3

o98

o101

10.1107/S0108270103001379

0.71073

MoKα

0.0747

0.047

null

0.1111

0.132

null

1.066

null

has coordinates,has disorder,has Fobs

Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L. A chain of edge-fused rings generated by the combination of an N—H···O hydrogen bond and an iodo–nitro interaction in 2-iodobenzaldehyde 4-nitrophenylhydrazone versus disordered and effectively isolated molecules in 2-iodobenzaldehyde 2...

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$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/2/01/32/2013210.cif $ #-------------------------------------------------------------------...

2,013,211

7.4171

0.0002

22.1145

0.0008

15.7093

0.0004

90

null

90

null

90

null

2,576.73

0.13

120

2

120

2

null

6

P b c a

-P 2ac 2ab

61

- C12 H9 I N2 O2 S -

- C96 H72 I8 N16 O16 S8 -

8

1

SK1610

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

4-Iodo-N-(2-nitrophenylsulfanyl)aniline: π-stacked sheets generated by a combination of N—H···O and C—H···O hydrogen bonds

Acta Crystallographica Section C

2,003

59

3

o95

o97

10.1107/S0108270103000775

0.71073

MoKα

0.0841

0.0403

null

0.0715

0.0818

null

0.974

null

has coordinates,has Fobs

Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L. 4-Iodo-N-(2-nitrophenylsulfanyl)aniline: π-stacked sheets generated by a combination of N—H···O and C—H···O hydrogen bonds Acta Crystallographica Section C 59(3) (2003) o95-o97

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$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/2/01/32/2013211.cif $ #-------------------------------------------------------------------...

2,013,212

14.0307

0.0003

6.1277

0.0001

21.5135

0.0005

90

null

91.485

0.001

90

null

1,849.02

0.07

120

2

120

2

null

5

P 1 21/c 1

-P 2ybc

14

2-Amino-5-nitro-4,6-dipiperidinopyrimidinium hydrogensulfate monohydrate

- C14 H26 N6 O7 S -

- C56 H104 N24 O28 S4 -

4

1

SK1612

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

2-Amino-5-nitro-4,6-dipiperidinopyrimidinium hydrogensulfate monohydrate: hydrogen-bonded sheets containing highly distorted cations

Acta Crystallographica Section C

2,003

59

3

o102

o104

10.1107/S0108270103001458

0.71073

MoKα

0.0561

0.045

null

0.1158

0.1229

null

1.057

null

has coordinates,has Fobs

Quesada, Antonio; Marchal, Antonio; Low, John N.; Glidewell, Christopher 2-Amino-5-nitro-4,6-dipiperidinopyrimidinium hydrogensulfate monohydrate: hydrogen-bonded sheets containing highly distorted cations Acta Crystallographica Section C 59(3) (2003) o102-o104

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/2/01/32/2013212.cif $ #-------------------------------------------------------------------...

2,013,213

13.711

0.0007

7.3037

0.0003

9.3537

0.0004

90

null

93.088

0.002

90

null

935.33

0.07

120

2

120

2

null

5

P 1 21/c 1

-P 2ybc

14

(4-Nitrophenylsulfinyl)acetic acid

- C8 H7 N O5 S -

- C32 H28 N4 O20 S4 -

4

1

SK1614

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

(4-Nitrophenylsulfinyl)acetic acid, a three-dimensional hydrogen-bonded framework built from a combination of two-centre O—H···O and C—H···O hydrogen bonds and a three-centre C—H···(O)~2~ hydrogen bond

Acta Crystallographica Section C

2,003

59

3

o124

o126

10.1107/S0108270103001860

0.71073

MoKα

0.0702

0.0434

null

0.1008

0.1104

null

1.021

null

has coordinates,has Fobs

Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L. (4-Nitrophenylsulfinyl)acetic acid, a three-dimensional hydrogen-bonded framework built from a combination of two-centre O—H···O and C—H···O hydrogen bonds and a three-centre C—H···(O)~2~ hydrogen bond Acta Crystallographica Section C 59(3) (2...

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$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/2/01/32/2013213.cif $ #-------------------------------------------------------------------...

2,013,214

9.491

0.004

13.541

0.005

14.051

0.006

90

null

90

null

90

null

1,805.8

1.3

293

2

293

2

null

3

P 21 21 21

P 2ac 2ab

19

Dimethyl 4aβ-methyl-6-methoxy-9-oxo-1,2,3,4,4a,9,10,10aβ- octahydrophenanthrene-1,1-dicarboxylate

- C20 H24 O6 -

- C80 H96 O24 -

4

1

SK1615

Swastik Mondal; Monika Mukherjee; Arnab Roy; Debabrata Mukherjee

Dimethyl 6-methoxy-4aβ-methyl-9-oxo-1,2,3,4,4a,9,10,10aβ-octahydrophenanthrene-1,1-dicarboxylate

Acta Crystallographica Section C

2,003

59

3

o132

o134

10.1107/S0108270103002452

0.71073

MoKα

0.0369

0.0345

null

0.0932

0.0955

null

1.098

null

has coordinates,has Fobs

Swastik Mondal; Monika Mukherjee; Arnab Roy; Debabrata Mukherjee Dimethyl 6-methoxy-4aβ-methyl-9-oxo-1,2,3,4,4a,9,10,10aβ-octahydrophenanthrene-1,1-dicarboxylate Acta Crystallographica Section C 59(3) (2003) o132-o134

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$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/2/01/32/2013214.cif $ #-------------------------------------------------------------------...

2,013,215

9.4972

0.0002

6.9014

0.0002

12.3077

0.0003

90

null

92.0599

0.0011

90

null

806.17

0.03

120

2

120

2

null

4

P 1 21/n 1

-P 2yn

14

3-Nitrophthalic acid

- C8 H5 N O6 -

- C32 H20 N4 O24 -

4

1

SK1616

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

3-Nitrophthalic acid: C(4) and R~2~^2^(8) motifs of O—H···O hydrogen bonds generate sheets which are linked by C—H···O hydrogen bonds

Acta Crystallographica Section C

2,003

59

3

o144

o146

10.1107/S0108270103002555

0.71073

MoKα

0.0381

0.0338

null

0.0837

0.0867

null

1.067

null

has coordinates,has Fobs

Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L. 3-Nitrophthalic acid: C(4) and R~2~^2^(8) motifs of O—H···O hydrogen bonds generate sheets which are linked by C—H···O hydrogen bonds Acta Crystallographica Section C 59(3) (2003) o144-o146

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$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/2/01/32/2013215.cif $ #-------------------------------------------------------------------...

2,013,216

10.9563

0.0004

10.9584

0.0005

17.1665

0.0008

90

null

101.446

0.002

90

null

2,020.08

0.15

150

1

150

1

null

4

P 1 21/c 1

-P 2ybc

14

Meso-5,5,7,12,12,14-hexamethyl-1,4-diaza-8,11-diazoniumcyclotetradecane bis(2-naphthoate) ethanol disolvate

- C42 H64 N4 O6 -

- C84 H128 N8 O12 -

2

0.5

SK1618

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

meso-5,5,7,12,12,14-Hexamethyl-1,4-diaza-8,11-diazoniacyclotetradecane bis(2-naphthoate) ethanol disolvate: centrosymmetric five-component aggregates linked into sheets by C—H···π(arene) hydrogen bonding

Acta Crystallographica Section C

2,003

59

3

o147

o149

10.1107/S0108270103002804

0.71073

MoKα

0.082

0.048

null

0.112

0.13

null

1.018

null

has coordinates,has Fobs

Bowes, Katharine F.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher meso-5,5,7,12,12,14-Hexamethyl-1,4-diaza-8,11-diazoniacyclotetradecane bis(2-naphthoate) ethanol disolvate: centrosymmetric five-component aggregates linked into sheets by C—H···π(arene) hydrogen bonding Acta Crystallographica Section ...

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$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/2/01/32/2013216.cif $ #-------------------------------------------------------------------...

2,013,217

9.2522

0.0006

6.4359

0.0003

14.008

0.0011

90

null

105.175

0.009

90

null

805.04

0.1

148

null

148

null

4

P 1 21/n 1

-P 2yn

14

3,3'-Dipropoxybenzidine

- C18 H24 N2 O2 -

- C36 H48 N4 O4 -

2

0.5

SQ1002

El-Shafei, Ahmed; Boyle, Paul D.; Hinks, David; Freeman, Harold S.

Non-mutagenic organic pigment intermediates. I. 3,3'-Dipropoxybenzidine

Acta Crystallographica Section C

2,003

59

2

o71

o73

10.1107/S0108270102021303

0.71073

MoKα

0.04

0.039

null

0.051

null

0.051

null

2.15

null

has coordinates,has Fobs

El-Shafei, Ahmed; Boyle, Paul D.; Hinks, David; Freeman, Harold S. Non-mutagenic organic pigment intermediates. I. 3,3'-Dipropoxybenzidine Acta Crystallographica Section C 59(2) (2003) o71-o73

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$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/2/01/32/2013217.cif $ #-------------------------------------------------------------------...

2,013,218

11.7152

0.0004

19.627

0.0006

12.131

0.0004

90

null

117.978

0.001

90

null

2,463.34

0.14

298

1

298

2

null

3

P 1 21 1

P 2yb

4

estradiol

estra-1,3,5(10)-triene-3,17β-diol-methanol-water (3/2/1)

- C18.67 H27.33 O3 -

- C18.6667 H27.3333 O3 -

- C112 H164 O18 -

6

3

SQ1003

Parrish, Damon A.; Pinkerton, A. Alan

A new estra-1,3,5(10)-triene-3,17β-diol solvate: estradiol‒methanol‒water (3/2/1)

Acta Crystallographica Section C

2,003

59

2

o80

o82

10.1107/S0108270102021637

0.56085

AgKα

0.085

0.058

null

0.134

0.145

null

0.987

null

has coordinates,has Fobs

Parrish, Damon A.; Pinkerton, A. Alan A new estra-1,3,5(10)-triene-3,17β-diol solvate: estradiol‒methanol‒water (3/2/1) Acta Crystallographica Section C 59(2) (2003) o80-o82

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/2/01/32/2013218.cif $ #-------------------------------------------------------------------...

2,013,219

22.782

0.008

8.11

0.005

9.995

0.005

90

null

91.19

0.02

90

null

1,846.3

1.6

100

null

100

null

4

P 1 21/c 1

-P 2ybc

14

N,N-dimethyl-n-tetradecylamine oxide

- C16 H39 N O3 -

- C64 H156 N4 O12 -

4

1

SQ1004

Sauer, Joe D.; Elnagar, Hassan Y.; Fronczek, Frank R.

The solid dihydrate of N,N-dimethyl-n-tetradecylamine oxide

Acta Crystallographica Section C

2,003

59

2

o62

o64

10.1107/S0108270102022862

0.71073

MoKα

0.18

0.086

null

0.16

0.195

null

1.062

null

has coordinates,has Fobs

Sauer, Joe D.; Elnagar, Hassan Y.; Fronczek, Frank R. The solid dihydrate of N,N-dimethyl-n-tetradecylamine oxide Acta Crystallographica Section C 59(2) (2003) o62-o64

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$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/2/01/32/2013219.cif $ #-------------------------------------------------------------------...

2,013,220

10.7036

0.0002

11.6479

0.0002

17.4618

0.0003

70.848

0.001

78.069

0.001

84.194

0.001

2,010.81

0.06

150

2

150

2

null

6

P -1

-P 1

2

ansa-[isodicyclopentadienyl(dimethylsilane)(3,5-dimethylphenylamido)]~2~ zirconium

bis{N-(3,5-dimethylphenyl)-N-[(η^5^-isodicyclopentadien- 2-yl)dimethylsilyl]amido-κN}zirconium(II) diethyl ether solvate

- C44 H60 N2 O Si2 Zr -

- C88 H120 N4 O2 Si4 Zr2 -

2

1

SQ1005

Gallucci, Judith C.; Gentil, Sébastien; Pirio, Nadine; Meunier, Philippe; Gallou, Fabrice; Paquette, Leo A.

A doubly bridged isodicyclopentadienyl zirconium complex: bis{N-(3,5-dimethylphenyl)-N-[(η^5^-isodicyclopentadien-2-yl)dimethylsilyl]amido-κN}zirconium(II) diethyl ether solvate

Acta Crystallographica Section C

2,003

59

2

m67

m69

10.1107/S0108270103000751

0.71073

MoKα

0.063

0.038

null

0.086

null

0.077

null

1.028

null

1.061

null

has coordinates

Gallucci, Judith C.; Gentil, Sébastien; Pirio, Nadine; Meunier, Philippe; Gallou, Fabrice; Paquette, Leo A. A doubly bridged isodicyclopentadienyl zirconium complex: bis{N-(3,5-dimethylphenyl)-N-[(η^5^-isodicyclopentadien-2-yl)dimethylsilyl]amido-κN}zirconium(II) diethyl ether solvate Acta Crystall...

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/2/01/32/2013220.cif $ #-------------------------------------------------------------------...

2,013,221

14.215

0.004

7.458

0.002

9.493

0.003

90

null

90

null

90

null

1,006.4

0.5

293

2

293

2

null

5

P b a n :2

-P 2ab 2b

50

bis(1,10-phenanthroline-κ^2^N,N')copper(I) iodide

- C24 H16 Cu I N4 -

- C48 H32 Cu2 I2 N8 -

2

0.25

TA1392

Clarke, Rachael; Latham, Kay; Rix, Colin; White, Jonathan

Two polymorphs of bis(1,10-phenanthroline-κ^2^N,N')copper(I) iodide

Acta Crystallographica Section C

2,003

59

1

m7

m9

10.1107/S0108270102020590

0.71073

MoKα

0.06

0.046

null

0.113

0.119

null

1.241

null

has coordinates,has Fobs

Clarke, Rachael; Latham, Kay; Rix, Colin; White, Jonathan Two polymorphs of bis(1,10-phenanthroline-κ^2^N,N')copper(I) iodide Acta Crystallographica Section C 59(1) (2003) m7-m9

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$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/2/01/32/2013221.cif $ #-------------------------------------------------------------------...

2,013,222

16.2547

0.0007

29.4171

0.0013

18.1262

0.0008

90

null

90

null

90

null

8,667.3

0.7

293

2

293

2

null

5

C c c a :2

-C 2a 2ac

68

bis(1,10-phenanthroline-κ^2^N,N')copper(I) iodide

- C24 H16 Cu I N4 -

- C384 H256 Cu16 I16 N64 -

16

1

TA1392

Clarke, Rachael; Latham, Kay; Rix, Colin; White, Jonathan

Two polymorphs of bis(1,10-phenanthroline-κ^2^N,N')copper(I) iodide

Acta Crystallographica Section C

2,003

59

1

m7

m9

10.1107/S0108270102020590

0.71073

MoKα

0.078

0.035

null

0.088

0.107

null

0.98

null

has coordinates,has Fobs

Clarke, Rachael; Latham, Kay; Rix, Colin; White, Jonathan Two polymorphs of bis(1,10-phenanthroline-κ^2^N,N')copper(I) iodide Acta Crystallographica Section C 59(1) (2003) m7-m9

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$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/2/01/32/2013222.cif $ #-------------------------------------------------------------------...

2,013,223

7.0359

0.0015

7.173

0.0015

10.084

0.002

81.697

0.004

82.041

0.004

63.642

0.004

449.65

0.16

298

2

294

2

null

4

P -1

-P 1

2

Uranyl nitrate trihydrate

Uranyl dinitrate trihydrate

- H6 N2 O11 U -

- H12 N4 O22 U2 -

2

1

TA1396

Hughes, Karrie-Ann; Burns, Peter C.

Uranyl dinitrate trihydrate, UO~2~(NO~3~)~2~(H~2~O)~3~

Acta Crystallographica Section C

2,003

59

1

i7

i8

10.1107/S0108270102021108

0.71073

MoKα

0.093

0.043

null

0.095

0.109

null

1.008

null

has coordinates,has Fobs

Hughes, Karrie-Ann; Burns, Peter C. Uranyl dinitrate trihydrate, UO~2~(NO~3~)~2~(H~2~O)~3~ Acta Crystallographica Section C 59(1) (2003) i7-i8

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$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/2/01/32/2013223.cif $ #-------------------------------------------------------------------...

2,013,224

7.549

0.001

7.549

0.001

8.097

0.001

90

null

90

null

120

null

399.61

0.09

293

2

293

2

null

3

P 63/m

-P 6c

176

Lithium aluminium silicide (15/3/6)

- Al3.39 Li14.61 Si6 -

- Al3.386 Li14.614 Si6 -

1

0.083333

TA1397

Spina, Laurent; Tillard, Monique; Belin, Claude

Li~15~Al~3~Si~6~ (Li~14.6~Al~3.4~Si~6~), a compound displaying a heterographite-like anionic framework

Acta Crystallographica Section C

2,003

59

2

i9

i10

10.1107/S0108270102022680

0.71073

MoKα

0.064

0.036

null

0.035

0.049

null

1.1

null

has coordinates

Spina, Laurent; Tillard, Monique; Belin, Claude Li~15~Al~3~Si~6~ (Li~14.6~Al~3.4~Si~6~), a compound displaying a heterographite-like anionic framework Acta Crystallographica Section C 59(2) (2003) i9-i10

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/2/01/32/2013224.cif $ #-------------------------------------------------------------------...

2,013,225

10.4353

0.0005

10.4491

0.0005

14.876

0.0007

92.412

0.001

101.471

0.001

109.599

0.001

1,487.14

0.12

213

2

213

2

null

3

P 1

1

3β-o-(L-thevetoyl)-14β-hydroxy-5β-card-20(22)-enolide methanol solvate monohydrate

- C61 H98 O18 -

1

TA1401

Suchada Chantrapromma; Anwar Usman; Hoong-Kun Fun; Surat Laphookhieo; Chatchanok Karalai; Yanisa Rat-a-pa; Kan Chantrapromma

Bis[14β-hydroxy-3β-O-(L-thevetosyl)-5β-card-20(22)-enolide] methanol solvate monohydrate and 3β-O-(L-2'-o-acetylthevetosyl)-14β-hydroxy-5β-card-20(22)-enolide

Acta Crystallographica Section C

2,003

59

2

o68

o70

10.1107/S0108270102023065

0.71073

MoKα

0.0874

0.0657

null

0.1683

0.1823

null

0.971

null

has coordinates,has Fobs

Suchada Chantrapromma; Anwar Usman; Hoong-Kun Fun; Surat Laphookhieo; Chatchanok Karalai; Yanisa Rat-a-pa; Kan Chantrapromma Bis[14β-hydroxy-3β-O-(L-thevetosyl)-5β-card-20(22)-enolide] methanol solvate monohydrate and 3β-O-(L-2'-o-acetylthevetosyl)-14β-hydroxy-5β-card-...

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$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/2/01/32/2013225.cif $ #-------------------------------------------------------------------...

2,013,226

7.3351

0.0003

21.477

0.0009

9.9056

0.0004

90

null

97.007

0.001

90

null

1,548.83

0.11

293

2

293

2

null

3

P 1 21 1

P 2yb

4

3β-o-(L-2'-o-acetyl thevetoyl)-14β-hydroxy-5β-card-20(22)-enolide

- C32 H48 O9 -

- C64 H96 O18 -

2

1

TA1401

Suchada Chantrapromma; Anwar Usman; Hoong-Kun Fun; Surat Laphookhieo; Chatchanok Karalai; Yanisa Rat-a-pa; Kan Chantrapromma

Bis[14β-hydroxy-3β-O-(L-thevetosyl)-5β-card-20(22)-enolide] methanol solvate monohydrate and 3β-O-(L-2'-o-acetylthevetosyl)-14β-hydroxy-5β-card-20(22)-enolide

Acta Crystallographica Section C

2,003

59

2

o68

o70

10.1107/S0108270102023065

0.71073

MoKα

0.0595

0.0454

null

0.1026

0.1062

null

1.006

null

has coordinates,has Fobs

Suchada Chantrapromma; Anwar Usman; Hoong-Kun Fun; Surat Laphookhieo; Chatchanok Karalai; Yanisa Rat-a-pa; Kan Chantrapromma Bis[14β-hydroxy-3β-O-(L-thevetosyl)-5β-card-20(22)-enolide] methanol solvate monohydrate and 3β-O-(L-2'-o-acetylthevetosyl)-14β-hydroxy-5β-card-...

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$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/2/01/32/2013226.cif $ #-------------------------------------------------------------------...

2,013,227

6.04

0.003

13.303

0.005

17.699

0.007

90

null

94.096

0.008

90

null

1,418.5

1

130

2

130

0.2

null

4

P 1 21/c 1

-P 2ybc

14

N-methyl-4-piperidyl 2,4-dinitrobenzoate

- C13 H15 N3 O6 -

- C52 H60 N12 O24 -

4

1

TA1405

Andrau, Laura; White, Jonathan

Conformation of N-methyl-4-piperidyl 2,4-dinitrobenzoate

Acta Crystallographica Section C

2,003

59

2

o60

o61

10.1107/S0108270102022254

0.71073

MoKα

0.074

0.051

null

0.109

0.118

null

1.058

null

has coordinates,has Fobs

Andrau, Laura; White, Jonathan Conformation of N-methyl-4-piperidyl 2,4-dinitrobenzoate Acta Crystallographica Section C 59(2) (2003) o60-o61

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$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/2/01/32/2013227.cif $ #-------------------------------------------------------------------...

2,013,228

15.806

0.002

16.6172

0.0018

20.644

0.002

90

null

95.872

0.01

90

null

5,393.7

1

296

2

296

2

null

5

C 1 2/c 1

-C 2yc

15

(dibenzoylcarbenyl-κC)(pyridine-κN)(5,10,15,20-tetra-p-tolylporphyrinato- κ^4^N)ruthenium(II)

- C68 H51 N5 O2 Ru -

- C272 H204 N20 O8 Ru4 -

4

0.5

TR1046

Harada, Tomoko; Wada, Satoko; Yuge, Hidetaka; Miyamoto, Takeshi Ken

The trans influence of the pyridine ligand on ruthenium(II)‒porphyrin‒carbene complexes

Acta Crystallographica Section C

2,003

59

2

m37

m39

10.1107/S0108270102022461

0.71069

MoKα

0.19

0.061

null

0.14

0.182

null

0.969

null

has coordinates,has Fobs

Harada, Tomoko; Wada, Satoko; Yuge, Hidetaka; Miyamoto, Takeshi Ken The trans influence of the pyridine ligand on ruthenium(II)‒porphyrin‒carbene complexes Acta Crystallographica Section C 59(2) (2003) m37-m39

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/2/01/32/2013228.cif $ #-------------------------------------------------------------------...

2,013,229

12.4428

0.0017

17.3768

0.0019

25.1794

0.0017

90

null

99.436

0.009

90

null

5,370.5

1

296

2

296

2

null

5

P 1 21/c 1

-P 2ybc

14

(pyridine-κN)(5,10,15,20-tetra-p-tolylporphyrinato-κ^4^N)[bis(3- trifluoromethylphenyl)carbenyl-κC]ruthenium(II)

- C68 H49 F6 N5 Ru -

- C272 H196 F24 N20 Ru4 -

4

1

TR1046

Harada, Tomoko; Wada, Satoko; Yuge, Hidetaka; Miyamoto, Takeshi Ken

The trans influence of the pyridine ligand on ruthenium(II)‒porphyrin‒carbene complexes

Acta Crystallographica Section C

2,003

59

2

m37

m39

10.1107/S0108270102022461

0.71069

MoKα

0.071

0.038

null

0.096

0.108

null

1.023

null

has coordinates,has Fobs

Harada, Tomoko; Wada, Satoko; Yuge, Hidetaka; Miyamoto, Takeshi Ken The trans influence of the pyridine ligand on ruthenium(II)‒porphyrin‒carbene complexes Acta Crystallographica Section C 59(2) (2003) m37-m39

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/2/01/32/2013229.cif $ #-------------------------------------------------------------------...

2,013,230

7.837

0.002

9.135

0.002

15.649

0.003

89.65

0.02

76.04

0.02

66.99

0.02

995.8

0.4

122

2

122

2

null

6

P -1

-P 1

2

I

(1-thia-4,7-diazacyclodecyl-κ^3^N^4^,N^7^,C^10^)(1,4,7-triazacyclononane- κ^3^N^1^,N^4^,N^7^)cobalt(III) dithionate hydrate

- C13 H32 Co N5 O7 S3 -

- C26 H64 Co2 N10 O14 S6 -

2

1

TR1048

Harris, Pernille; Kofod, Pauli; Song, Yong Sheng; Larsen, Erik

The Co^III^—C bond in (1-thia-4,7-diazacyclodecyl-κ^3^N^4^,N^7^,C^10^)(1,4,7-triazacyclononane-κ^3^N^1^,N^4^,N^7^)cobalt(III) dithionate hydrate

Acta Crystallographica Section C

2,003

59

2

m58

m60

10.1107/S0108270102022825

0.71073

MoKα

0.045

0.033

null

0.07

0.076

null

1.069

null

has coordinates,has Fobs

Harris, Pernille; Kofod, Pauli; Song, Yong Sheng; Larsen, Erik The Co^III^—C bond in (1-thia-4,7-diazacyclodecyl-κ^3^N^4^,N^7^,C^10^)(1,4,7-triazacyclononane-κ^3^N^1^,N^4^,N^7^)cobalt(III) dithionate hydrate Acta Crystallographica Section C 59(2) (2003) m58-m60

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/2/01/32/2013230.cif $ #-------------------------------------------------------------------...

2,013,231

6.8638

0.0016

15.861

0.004

17.014

0.007

90

null

90

null

90

null

1,852.3

1

293

2

293

2

null

3

P 21 21 21

P 2ac 2ab

19

Methyl 3-O-β-L-fucopyranosyl α-D-glucopyranoside trihydrate

- C13 H30 O13 -

- C52 H120 O52 -

4

1

TR1049

Färnbäck, Magnus; Eriksson, Lars; Widmalm, Göran

Methyl 3-O-β-L-fucopyranosyl α-D-glucopyranoside trihydrate

Acta Crystallographica Section C

2,003

59

3

o171

o173

10.1107/S0108270103002865

0.872

synchrotron

0.0475

0.0356

null

0.0847

0.0867

null

1.561

null

has coordinates,has Fobs

Färnbäck, Magnus; Eriksson, Lars; Widmalm, Göran Methyl 3-O-β-L-fucopyranosyl α-D-glucopyranoside trihydrate Acta Crystallographica Section C 59(3) (2003) o171-o173

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$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/2/01/32/2013231.cif $ #-------------------------------------------------------------------...

2,013,232

15.2979

0.0002

13.002

0.0002

17.7821

0.0002

90

null

90.0302

0.0007

90

null

3,536.92

0.08

120

2

120

2

null

5

P 1 21/c 1

-P 2ybc

14

aqua[μ-(N^1^-carboxatomethylguanidino)oxidoacetato](μ-guanidinoacetic acid)dicopper(II) nitrate dihydrate

- C8 H19 Cu2 N7 O13 -

- C64 H152 Cu16 N56 O104 -

8

2

TR1052

Felcman, Judith; Howie, R. Alan; Lopes de Miranda, Jussara; Skakle, Janet M.S.; Wardell, James L.

The nitrate dihydrate of an aquadicopper(II) complex cation with guanidinoacetic acid and a novel trianionic disubstituted guanidine as ligands at 120K

Acta Crystallographica Section C

2,003

59

3

m103

m106

10.1107/S0108270103003329

0.71073

MoKα

0.0404

0.0345

null

0.0813

0.0836

null

1.142

null

has coordinates,has Fobs

Felcman, Judith; Howie, R. Alan; Lopes de Miranda, Jussara; Skakle, Janet M.S.; Wardell, James L. The nitrate dihydrate of an aquadicopper(II) complex cation with guanidinoacetic acid and a novel trianionic disubstituted guanidine as ligands at 120K Acta Crystallographica Section C 59(3) (2003) m103-m106

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$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/2/01/32/2013232.cif $ #-------------------------------------------------------------------...

2,013,233

11.057

0.002

11.0584

0.0018

11.339

0.003

78.42

0.018

64.689

0.016

65.696

0.016

1,141.8

0.5

293

2

293

2

null

6

P -1

-P 1

2

Tetra-μ-α-alanine-bis[tetraaquagadolinium(III)] hexaperchlorate

- C12 H44 Cl6 Gd2 N4 O40 -

- C12 Cl6 Gd2 N4 O40 -

1

0.5

VJ1183

Jinping Wang; Ninghai Hu; Kuiyue Yang; Haiyuan Zhang; Chunji Niu

Tetra-μ-α-alanine-bis[tetraaquagadolinium(III)] hexaperchlorate

Acta Crystallographica Section C

2,003

59

2

m52

m54

10.1107/S0108270102022734

0.71073

MoKα

0.0492

0.0437

null

0.1167

0.1191

null

1.01

null

has coordinates,has disorder,has Fobs

Jinping Wang; Ninghai Hu; Kuiyue Yang; Haiyuan Zhang; Chunji Niu Tetra-μ-α-alanine-bis[tetraaquagadolinium(III)] hexaperchlorate Acta Crystallographica Section C 59(2) (2003) m52-m54

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/2/01/32/2013233.cif $ #-------------------------------------------------------------------...

2,013,234

5.862

0.001

12.941

0.004

10.538

0.004

90

null

105.12

0.03

90

null

771.7

0.4

293

2

null

5

P 1 21/c 1

-P 2ybc

14

- C12 H12 Cl4 Cu N2 -

- C24 H24 Cl8 Cu2 N4 -

2

0.5

AV1127

Richeng Xuan; Weixiao Hu; Zhongyu Yang; Rirong Xuan

Dichlorobis(2-chloro-5-methylpyridine-κN)copper(II)

Acta Crystallographica Section C

2,003

59

4

m112

m114

10.1107/S0108270103002956

0.71073

MoKα

null

0.0369

null

0.1164

null

0.979

null

has coordinates

Richeng Xuan; Weixiao Hu; Zhongyu Yang; Rirong Xuan Dichlorobis(2-chloro-5-methylpyridine-κN)copper(II) Acta Crystallographica Section C 59(4) (2003) m112-m114

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/2/01/32/2013234.cif $ #-------------------------------------------------------------------...

2,013,235

14.2021

0.0012

7.2102

0.0016

15.368

0.003

90

null

103.945

0.009

90

null

1,527.3

0.5

293

2

293

2

null

6

C 1 2/c 1

-C 2yc

15

catena-(di-μ-bromo(pyridine-3-carboxylato-O,O',N))mercury(II)

- C6 H4 Br Hg N O2 -

- C48 H32 Br8 Hg8 N8 O16 -

8

1

AV1131

Popović, Zora; Pavlović, Gordana; Matković -Čalogović , Dubravka; Soldin, Željka

Polymeric μ-bromo-μ-pyridine-3-carboxylato-κ^3^O,O':N-mercury(II)

Acta Crystallographica Section C

2,003

59

5

m165

m167

10.1107/S0108270103005705

0.71073

MoKα

0.0694

0.0324

null

0.0742

0.0837

null

0.967

null

has coordinates,has Fobs

Popović, Zora; Pavlović, Gordana; Matković -Čalogović , Dubravka; Soldin, Željka Polymeric μ-bromo-μ-pyridine-3-carboxylato-κ^3^O,O':N-mercury(II) Acta Crystallographica Section C 59(5) (2003) m165-m167

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/2/01/32/2013235.cif $ #-------------------------------------------------------------------...

2,013,236

8.4753

0.0008

9.5364

0.0008

10.121

0.0011

76.128

0.008

72.381

0.009

69.917

0.008

723.76

0.13

120

2

120

2

null

7

P -1

-P 1

2

Dipotassium Bis[(μ-isothiocyanato-N,S) (N-salicylidene-DL-valinato-O,N,O')cuprate(II)]

- C13 H13 Cu K N2 O3 S -

- C26 H26 Cu2 K2 N4 O6 S2 -

2

1

AV1132

Vančo, Ján; Švajlenová, Oľga; Marek, Jaromír

Dipotassium di-μ-isothiocyanato-κ^4^N:S-bis[(N-salicylidene-DL-valinato-κ^3^O,N,O')cuprate(II)]

Acta Crystallographica Section C

2,003

59

5

m190

m192

10.1107/S0108270103006760

0.71073

MoKα

0.0344

0.0304

null

0.0814

0.1118

null

0.978

null

has coordinates,has Fobs

Vančo, Ján; Švajlenová, Oľga; Marek, Jaromír Dipotassium di-μ-isothiocyanato-κ^4^N:S-bis[(N-salicylidene-DL-valinato-κ^3^O,N,O')cuprate(II)] Acta Crystallographica Section C 59(5) (2003) m190-m192

301,798

2025-08-19

6:42:13

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2,013,237

6.732

0.001

11.5

0.002

14.64

0.003

90

null

90

null

90

null

1,133.4

0.3

293

2

293

2

null

5

P n n m

-P 2 2n

58

- C12 H20 Cl4 Cu2 N16 -

- C24 H40 Cl8 Cu4 N32 -

2

0.25

AV1134

Ivashkevich, Dmitry O.; Lyakhov, Alexander S.; Pytleva, Dariya S.; Voitekhovich, Sergei V.; Gaponik, Pavel N.

catena-Poly[[bis[μ-1,2-bis(1-methyltetrazol-5-yl)ethane-κ^2^N^4^:N^4'^]bis[chlorocopper(II)]]-di-μ-chloro]

Acta Crystallographica Section C

2,003

59

6

m221

m223

10.1107/S0108270103008977

0.71073

MoKα

0.0327

0.0312

null

0.1016

0.103

null

1.261

null

has coordinates,has Fobs

Ivashkevich, Dmitry O.; Lyakhov, Alexander S.; Pytleva, Dariya S.; Voitekhovich, Sergei V.; Gaponik, Pavel N. catena-Poly[[bis[μ-1,2-bis(1-methyltetrazol-5-yl)ethane-κ^2^N^4^:N^4'^]bis[chlorocopper(II)]]-di-μ-chloro] Acta Crystallographica Section C 59(6) (2003) m221-m223

176,760

2020-10-21

18:00:00

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2,013,238

15.4724

0.0015

7.7881

0.0008

6.4942

0.0006

90

null

90

null

90

null

782.55

0.13

250

null

293

null

5

P n m a

-P 2ac 2n

62

- Co H5 K O9 P2 -

- Co4 H20 K4 O36 P8 -

4

0.5

AV1135

Harcharras, Mohamed; Goubitz, Kees; Ennaciri, Abdelaziz; Assaaoudi, Hassane; Schenk, Henk

KHCoP~2~O~7~·2H~2~O: a novel acidic pyrophosphate

Acta Crystallographica Section C

2,003

59

6

i57

i58

10.1107/S0108270103010084

0.71073

MoKα

0.034

null

0.039

null

0.039

null

1.378

null

1.374

null

has coordinates,has Fobs

Harcharras, Mohamed; Goubitz, Kees; Ennaciri, Abdelaziz; Assaaoudi, Hassane; Schenk, Henk KHCoP~2~O~7~·2H~2~O: a novel acidic pyrophosphate Acta Crystallographica Section C 59(6) (2003) i57-i58

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/2/01/32/2013238.cif $ #-------------------------------------------------------------------...

2,013,239

7.117

0.005

7.117

0.005

10.542

0.009

90

null

90

null

120

null

462.4

0.6

298

2

298

2

null

4

P 63/m

-P 6c

176

FDZG-2

diammonium zirconium getmanate

- Ge3 N2 O9 Zr -

- Ge6 N4 O18 Zr2 -

2

0.166667

BC1005

Zhicheng Liu; Linhong Weng; Zhenxia Chen; Dongyuan Zhao

(NH~4~)~2~ZrGe~3~O~9~: a new microporous zirconogermanate

Acta Crystallographica Section C

2,003

59

5

i29

i31

10.1107/S0108270103005353

0.71073

MoKα

0.0763

0.0524

null

0.1025

0.1098

null

1.126

null

has coordinates,has Fobs

Zhicheng Liu; Linhong Weng; Zhenxia Chen; Dongyuan Zhao (NH~4~)~2~ZrGe~3~O~9~: a new microporous zirconogermanate Acta Crystallographica Section C 59(5) (2003) i29-i31

176,760

2020-10-21

18:00:00

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2,013,240

9.2527

0.0006

9.2527

0.0006

25.41

0.002

90

null

90

null

120

null

1,884

0.2

293

2

293

2

null

4

R -3 :H

-R 3

148

Niobium chloride

Potassium yttrium hexaniobium octadecachloride

- Cl18 K Nb6 Y -

- Cl54 K3 Nb18 Y3 -

3

0.166667

BC1007

Duraisamy, Thirumalai; Lachgar, Abdessadek

Potassium yttrium hexaniobium octadecachloride, KYNb~6~Cl~18~

Acta Crystallographica Section C

2,003

59

4

i27

i28

10.1107/S0108270103003731

0.71073

MoKα

0.0538

0.0323

null

0.0458

0.0499

null

1.031

null

has coordinates,has Fobs

Duraisamy, Thirumalai; Lachgar, Abdessadek Potassium yttrium hexaniobium octadecachloride, KYNb~6~Cl~18~ Acta Crystallographica Section C 59(4) (2003) i27-i28

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/2/01/32/2013240.cif $ #-------------------------------------------------------------------...

2,013,241

8.9829

0.0006

10.7777

0.0005

11.9761

0.0009

104.979

0.004

99.028

0.002

99.963

0.003

1,078.12

0.12

93

2

93

2

null

5

P -1

-P 1

2

copper tetrasodium decavanadate icositrihydrate

- Cu H46 Na4 O51 V10 -

- Cu H42 Na4 O51 V10 -

1

0.5

BC1014

Iida, Akifumi; Ozeki, Tomoji

Cu~3~V~10~O~28~·24H~2~O and CuNa~4~V~10~O~28~·23H~2~O

Acta Crystallographica Section C

2,003

59

6

i41

i44

10.1107/S0108270103008552

0.71073

MoKα

0.0305

0.0279

null

0.0666

0.0678

null

1.244

null

has coordinates,has disorder,has Fobs

Iida, Akifumi; Ozeki, Tomoji Cu~3~V~10~O~28~·24H~2~O and CuNa~4~V~10~O~28~·23H~2~O Acta Crystallographica Section C 59(6) (2003) i41-i44

176,435

2020-10-21

18:00:00

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2,013,242

8.8567

0.0005

10.7189

0.0006

11.5492

0.0007

104.662

0.002

95.579

0.003

102.064

0.003

1,024.14

0.1

93

2

93

2

null

4

P -1

-P 1

2

tricopper decavanadate icositetrahydrate

- Cu3 H48 O52 V10 -

1

0.5

BC1014

Iida, Akifumi; Ozeki, Tomoji

Cu~3~V~10~O~28~·24H~2~O and CuNa~4~V~10~O~28~·23H~2~O

Acta Crystallographica Section C

2,003

59

6

i41

i44

10.1107/S0108270103008552

0.71073

MoKα

0.0248

0.022

null

0.0649

0.077

null

1.342

null

has coordinates,has Fobs

Iida, Akifumi; Ozeki, Tomoji Cu~3~V~10~O~28~·24H~2~O and CuNa~4~V~10~O~28~·23H~2~O Acta Crystallographica Section C 59(6) (2003) i41-i44

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/2/01/32/2013242.cif $ #-------------------------------------------------------------------...

2,013,243

10.4467

0.0009

15.4969

0.0013

7.6471

0.0006

90

null

90

null

90

null

1,238

0.18

123

2

123

2

null

4

P c c n

-P 2ab 2ac

56

zinc tellurium oxochloride

dizinc tellurium dichloride trioxide

- Cl2 O3 Te Zn2 -

- Cl16 O24 Te8 Zn16 -

8

1

BC1017

Johnsson, Mats; Törnroos, Karl W.

A synthetic zinc tellurium oxochloride, Zn~2~(TeO~3~)Cl~2~

Acta Crystallographica Section C

2,003

59

6

i53

i54

10.1107/S0108270103009715

0.71073

MoKα

0.0175

0.0158

null

0.0382

0.0386

null

1.255

null

has coordinates,has Fobs

Johnsson, Mats; Törnroos, Karl W. A synthetic zinc tellurium oxochloride, Zn~2~(TeO~3~)Cl~2~ Acta Crystallographica Section C 59(6) (2003) i53-i54

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/2/01/32/2013243.cif $ #-------------------------------------------------------------------...

2,013,244

7.6844

0.001

14.424

0.0018

22.378

0.003

90

null

90

null

90

null

2,480.4

0.6

150

2

150

2

null

4

P b c a

-P 2ac 2ab

61

Bis(2-bromophenyl) disulfide

- C12 H8 Br2 S2 -

- C96 H64 Br16 S16 -

8

1

BM1522

J.R. Anacona; Jofre Gómez; Daniel Loroño

Two polymorphs of bis(2-bromophenyl) disulfide

Acta Crystallographica Section C

2,003

59

5

o277

o280

10.1107/S0108270103006851

0.71073

MoKα

0.0222

0.0189

null

0.0481

0.0485

null

1.018

null

has coordinates,has Fobs

J.R. Anacona; Jofre Gómez; Daniel Loroño Two polymorphs of bis(2-bromophenyl) disulfide Acta Crystallographica Section C 59(5) (2003) o277-o280

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$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/2/01/32/2013244.cif $ #-------------------------------------------------------------------...

2,013,245

11.8186

0.0019

15.489

0.003

15.653

0.003

102.122

0.005

100.393

0.005

110.001

0.005

2,531.4

0.8

150

2

150

2

null

4

P -1

-P 1

2

Bis(2-bromophenyl) disulfide

- C12 H8 Br2 S2 -

- C96 H64 Br16 S16 -

8

4

BM1522

J.R. Anacona; Jofre Gómez; Daniel Loroño

Two polymorphs of bis(2-bromophenyl) disulfide

Acta Crystallographica Section C

2,003

59

5

o277

o280

10.1107/S0108270103006851

0.71073

MoKα

0.0501

0.0346

null

0.0581

0.0595

null

0.997

null

has coordinates,has Fobs

J.R. Anacona; Jofre Gómez; Daniel Loroño Two polymorphs of bis(2-bromophenyl) disulfide Acta Crystallographica Section C 59(5) (2003) o277-o280

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$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/2/01/32/2013245.cif $ #-------------------------------------------------------------------...

2,013,246

5.5633

0.0016

10.4599

0.0011

20.314

0.004

90

null

95.51

0.02

90

null

1,176.6

0.4

293

2

293

2

null

4

P 1 21/c 1

-P 2ybc

14

- C13 H13 N3 O -

- C52 H52 N12 O4 -

4

1

BM1525

Tunc̨, Tuncay; Yag̨basan, Rahmi; Tezcan, Habibe; Sarı, Musa; S̨ahin, Ertan

N-(4-Methoxybenzylidene)-N'-(2-pyridyl)hydrazine

Acta Crystallographica Section C

2,003

59

4

o192

o193

10.1107/S0108270103004256

0.71073

MoKα

null

0.042

null

0.0977

0.128

null

0.994

null

has coordinates,has Fobs

Tunc̨, Tuncay; Yag̨basan, Rahmi; Tezcan, Habibe; Sarı, Musa; S̨ahin, Ertan N-(4-Methoxybenzylidene)-N'-(2-pyridyl)hydrazine Acta Crystallographica Section C 59(4) (2003) o192-o193

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$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/2/01/32/2013246.cif $ #-------------------------------------------------------------------...

2,013,247

14.3719

0.0003

22.865

0.0006

7.0703

0.0001

90

null

90

null

90

null

2,323.4

0.08

100

2

null

3

P c a 21

P 2c -2ac

29

- C16 H14 O -

- C128 H112 O8 -

8

2

BM1526

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

(2RS)-5,6:7,8-Dibenzobicyclo[2.2.2]octan-2-ol

Acta Crystallographica Section C

2,003

59

6

o283

o285

10.1107/S010827010300708X

0.71073

MoKα

null

0.055

null

0.141

null

1.031

null

has coordinates,has disorder,has Fobs

Muir, Kenneth W.; Morris, David G.; Ryder, Karl S. (2RS)-5,6:7,8-Dibenzobicyclo[2.2.2]octan-2-ol Acta Crystallographica Section C 59(6) (2003) o283-o285

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$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/2/01/32/2013247.cif $ #-------------------------------------------------------------------...

2,013,248

10.3363

0.0001

37.2805

0.0004

10.8142

0.0001

90

null

111.146

0.0007

90

null

3,886.56

0.07

150

2

150

2

null

6

P 1 21/c 1

-P 2ybc

14

Bis(triphenylphosphine)(tetracyanoethene)palladium‒dichloromethane (1/0.7)

- C42.7 H31.4 Cl1.4 N4 P2 Pd -

- C170.8 H125.6 Cl5.6 N16 P8 Pd4 -

4

1

BM1527

Zoe Shackleton; Colin A. Kilner; Gavin D. Reid; Malcolm A. Halcrow

(η^2^-Tetracyanoethene)bis(triphenylphosphine-κP)palladium‒dichloromethane (1/0.7)

Acta Crystallographica Section C

2,003

59

4

m136

m138

10.1107/S010827010300458X

0.71073

MoKα

0.0492

0.0387

null

0.104

0.11

null

1.02

null

has coordinates,has disorder,has Fobs

Zoe Shackleton; Colin A. Kilner; Gavin D. Reid; Malcolm A. Halcrow (η^2^-Tetracyanoethene)bis(triphenylphosphine-κP)palladium‒dichloromethane (1/0.7) Acta Crystallographica Section C 59(4) (2003) m136-m138

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/2/01/32/2013248.cif $ #-------------------------------------------------------------------...

2,013,249

16.042

0.002

9.4781

0.001

17.599

0.002

90

null

111.49

0.01

90

null

2,489.9

0.5

173

2

173

2

null

4

C 1 2/c 1

-C 2yc

15

cone-25,26:27,28-bis(methylenedioxy)calix[4]arene dichloromethane solvate

- C31 H26 Cl2 O4 -

- C124 H104 Cl8 O16 -

4

0.5

BM1530

Dielemann, Cedric; Matt, Dominique; Jones, Peter G.; Thönnessen, Holger

The host–guest complex between cone-25,26:27,28-bis(methylenedioxy)calix[4]arene and dichloromethane

Acta Crystallographica Section C

2,003

59

5

o247

o249

10.1107/S0108270103006681

0.71073

MoKα

0.0401

0.0347

null

0.0896

0.0925

null

1.065

null

has coordinates,has Fobs

Dielemann, Cedric; Matt, Dominique; Jones, Peter G.; Thönnessen, Holger The host–guest complex between cone-25,26:27,28-bis(methylenedioxy)calix[4]arene and dichloromethane Acta Crystallographica Section C 59(5) (2003) o247-o249

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$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/2/01/32/2013249.cif $ #-------------------------------------------------------------------...

2,013,250

5.673

0.002

26.892

0.006

7.764

0.002

90

null

100.433

0.01

90

null

1,164.9

0.6

120

null

120

null

4

P 1 21/n 1

-P 2yn

14

3-carboxy-1-oxopropylferrocene

- C14 H14 Fe O3 -

- C56 H56 Fe4 O12 -

4

1

DE1207

Fronczek, Frank R.; Giraldés, José; McLaughlin, Mark L.

Disordered syn–anti hydrogen-bonded chains in 3-(ferrocenylcarbonyl)propionic acid

Acta Crystallographica Section C

2,003

59

5

m159

m161

10.1107/S0108270103006309

0.71073

MoKα

0.062

0.037

null

0.064

0.073

null

1.024

null

has coordinates,has Fobs

Fronczek, Frank R.; Giraldés, José; McLaughlin, Mark L. Disordered syn–anti hydrogen-bonded chains in 3-(ferrocenylcarbonyl)propionic acid Acta Crystallographica Section C 59(5) (2003) m159-m161

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$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/2/01/32/2013250.cif $ #-------------------------------------------------------------------...

2,013,251

12.973

0.007

9.708

0.006

46.04

0.03

90

null

92.544

0.012

90

null

5,793

6

293

2

293

2

null

5

P 1 21/c 1

-P 2ybc

14

1,4,7-Tris(2-cyanoethyl)-4,7-triaza-1-azoniacyclononane perchlorate

- C15 H25 Cl N6 O4 -

- C180 H300 Cl12 N72 O48 -

12

3

DE1210

Qi, Wen-Bin; Li, Yi-Zhi; Ni, Jun; Wang, Zhi-Lin

1,4,7-Tris(2-cyanoethyl)-4,7-triaza-1-azoniacyclononane perchlorate

Acta Crystallographica Section C

2,003

59

6

o343

o345

10.1107/S010827010300948X

0.71073

MoKα

0.0888

0.0405

null

0.0873

0.0908

null

1.052

null

has coordinates,has Fobs

Qi, Wen-Bin; Li, Yi-Zhi; Ni, Jun; Wang, Zhi-Lin 1,4,7-Tris(2-cyanoethyl)-4,7-triaza-1-azoniacyclononane perchlorate Acta Crystallographica Section C 59(6) (2003) o343-o345

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$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/2/01/32/2013251.cif $ #-------------------------------------------------------------------...

2,013,252

9.565

0.0019

16.522

0.003

9.021

0.0018

90

null

96.28

0.03

90

null

1,417.1

0.5

293

2

293

2

null

6

P 1 21/c 1

-P 2ybc

14

(H4-tet b) bis(hexafluorogermanate)tetrahydrate

rac-5,7,7,12,12,14-hexamethyl- 1,4,8,11-tetraazoniacyclotetradecane bis(hexafluorogermanate) tetrahydrate

- C16 H48 F12 Ge2 N4 O4 -

- C32 H96 F24 Ge4 N8 O8 -

2

0.5

DN1019

Fonari, Marina S.; Simonov, Yurii A.; Chumakov, Yurii M.; Bocelli, Gabriele; Ganin, Eduard V.; Gelmboldt, Vladimir O.

The monoclinic polymorph of rac-5,7,7,12,12,14-hexamethyl-1,4,8,11-tetraazoniacyclotetradecane bis(hexafluorogermanate) tetrahydrate

Acta Crystallographica Section C

2,003

59

5

m168

m170

10.1107/S0108270103005869

0.71073

MoKα

0.0415

0.0276

null

0.0673

0.0717

null

0.945

null

has coordinates,has Fobs

Fonari, Marina S.; Simonov, Yurii A.; Chumakov, Yurii M.; Bocelli, Gabriele; Ganin, Eduard V.; Gelmboldt, Vladimir O. The monoclinic polymorph of rac-5,7,7,12,12,14-hexamethyl-1,4,8,11-tetraazoniacyclotetradecane bis(hexafluorogermanate) tetrahydrate Acta Crystallographica Section C 59(5) (2003) m168-m170

301,798

2025-08-19

6:42:13

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2,013,253

11.9744

0.0006

15.7475

0.0004

16.733

0.0008

90

null

91.249

0.002

90

null

3,154.5

0.2

100

2

100

2

null

5

P 1 21/c 1

-P 2ybc

14

- C32 H40 N2 O9 U -

- C128 H160 N8 O36 U4 -

4

1

DN1021

Salmon, Lionel; Thuéry, Pierre; Ephritikhine, Michel

A bis(acetylacetonato)uranium(IV) complex of the Schiff base N,N'-bis(3-hydroxysalicylidene)-2-methyl-1,2-propanediamine

Acta Crystallographica Section C

2,003

59

6

m246

m248

10.1107/S0108270103008382

0.71073

MoKα

0.0551

0.0393

null

0.0862

0.0923

null

1.045

null

has coordinates,has Fobs

Salmon, Lionel; Thuéry, Pierre; Ephritikhine, Michel A bis(acetylacetonato)uranium(IV) complex of the Schiff base N,N'-bis(3-hydroxysalicylidene)-2-methyl-1,2-propanediamine Acta Crystallographica Section C 59(6) (2003) m246-m248

301,798

2025-08-19

6:42:13

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2,013,254

13.0161

0.0013

13.229

0.0014

26.496

0.003

90

null

90

null

90

null

4,562.3

0.8

173

2

173

2

null

5

P 21 21 21

P 2ac 2ab

19

- C45 H59 N3 O13 S -

- C180 H236 N12 O52 S4 -

4

1

FA1005

Sainz-Diaz, C. Ignacio; Manzanares, Ignacio; Francesch, Andres; Garcia-Ruiz, Juanma

The potent anticancer compound ecteinascidin-743 (ET-743) as its 2-propanol disolvate

Acta Crystallographica Section C

2,003

59

4

o197

o198

10.1107/S0108270103003676

0.71073

MoKα

null

0.0775

null

0.1317

null

1.124

null

has coordinates

Sainz-Diaz, C. Ignacio; Manzanares, Ignacio; Francesch, Andres; Garcia-Ruiz, Juanma The potent anticancer compound ecteinascidin-743 (ET-743) as its 2-propanol disolvate Acta Crystallographica Section C 59(4) (2003) o197-o198

301,798

2025-08-19

6:42:13

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2,013,255

6.8711

0.0011

15.231

0.002

19.263

0.003

90

null

90

null

90

null

2,015.9

0.5

293

2

293

2

null

3

P 21 21 21

P 2ac 2ab

19

methyl 3,6-di-O-pivaloyl-α-D-mannopyranoside

- C17 H30 O8 -

- C68 H120 O32 -

4

1

FA1007

Matijašić, Ivanka; Pavlović, Gordana; Trojko Jr., Rudolf

Methyl 3,6-di-O-pivaloyl-α-D-mannopyranoside

Acta Crystallographica Section C

2,003

59

4

o184

o186

10.1107/S010827010300324X

0.71073

MoKα

0.1087

0.0426

null

0.1003

0.1203

null

0.93

null

has coordinates,has Fobs

Matijašić, Ivanka; Pavlović, Gordana; Trojko Jr., Rudolf Methyl 3,6-di-O-pivaloyl-α-D-mannopyranoside Acta Crystallographica Section C 59(4) (2003) o184-o186

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$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/2/01/32/2013255.cif $ #-------------------------------------------------------------------...

2,013,256

5.404

0.0002

7.6062

0.0004

22.1898

0.0011

90

null

94.208

0.003

90

null

909.63

0.07

123

2

123

2

null

4

P 1 21 1

P 2yb

4

(4S,5S)-4-[(1R)-1,2-Dihydroxyethyl]-5-tridecyl-1,3-oxazolidin-2-one

- C18 H35 N O4 -

- C36 H70 N2 O8 -

2

1

FA1009

Sawatzki, Peter; Mikeska, Thomas; Nieger, Martin; Bolte, Michael; Kolter, Thomas

(4S,5S)-4-[(1R)-1,2-Dihydroxyethyl]-5-tridecyl-1,3-oxazolidin-2-one

Acta Crystallographica Section C

2,003

59

5

o225

o227

10.1107/S0108270103005493

0.71073

MoKα

0.0415

0.0336

null

0.0815

0.0841

null

1.01

null

has coordinates,has Fobs

Sawatzki, Peter; Mikeska, Thomas; Nieger, Martin; Bolte, Michael; Kolter, Thomas (4S,5S)-4-[(1R)-1,2-Dihydroxyethyl]-5-tridecyl-1,3-oxazolidin-2-one Acta Crystallographica Section C 59(5) (2003) o225-o227

301,798

2025-08-19

6:42:13

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2,013,257

5.129

0.0007

5.307

0.001

10.359

0.0014

99.902

0.014

101.139

0.014

101.495

0.013

264.53

0.08

293

2

293

2

null

4

P -1

-P 1

2

aqua hydroxyl copper(II) oxo-vanadium(IV) vanadate

- Cu H3 O7 V2 -

- Cu2 H6 O14 V4 -

2

1

FA1011

Trombe, Jean-Christian; Rozier, Patrick; Galy, Jean

A new aquahydroxidocopper(II) oxovanadium(IV) vanadate, Cu(H~2~O)(OH)VO(VO~4~)

Acta Crystallographica Section C

2,003

59

6

i50

i52

10.1107/S0108270103008047

0.71073

MoKα

0.0361

0.0322

null

0.0865

0.0886

null

1.122

null

has coordinates,has Fobs

Trombe, Jean-Christian; Rozier, Patrick; Galy, Jean A new aquahydroxidocopper(II) oxovanadium(IV) vanadate, Cu(H~2~O)(OH)VO(VO~4~) Acta Crystallographica Section C 59(6) (2003) i50-i52

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/2/01/32/2013257.cif $ #-------------------------------------------------------------------...

2,013,258

8.6868

0.0007

22.0328

0.0013

7.592

0.003

90

null

104.407

0.016

90

null

1,407.4

0.6

293

2

null

4

P 1 21/c 1

-P 2ybc

14

- C18 H14 N2 O2 -

- C72 H56 N8 O8 -

4

1

FA1012

Dey, Sankar Prasad; Dey, Dilip Kumar; Mallik, Asok Kumar; Dahlenburg, Lutz

6-(2-Hydroxybenzoyl)-5-(pyrrol-2-yl)-3H-pyrrolizine

Acta Crystallographica Section C

2,003

59

6

o321

o322

10.1107/S0108270103008394

0.71073

MoKα

null

0.043

null

0.1131

null

1.027

null

has coordinates,has Fobs

Dey, Sankar Prasad; Dey, Dilip Kumar; Mallik, Asok Kumar; Dahlenburg, Lutz 6-(2-Hydroxybenzoyl)-5-(pyrrol-2-yl)-3H-pyrrolizine Acta Crystallographica Section C 59(6) (2003) o321-o322

301,798

2025-08-19

6:42:13

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2,013,259

7.0453

0.0004

7.0453

0.0004

9.5608

0.0007

90

null

90

null

120

null

410.98

0.04

297

2

null

Synthetic

3

P 32

145

orthoboric acid

boric acid

- B H3 O3 -

- B6 H18 O18 -

6

2

FA1014

Shuvalov, Robert R.; Burns, Peter C.

A new polytype of orthoboric acid, H~3~BO~3~-3T

Acta Crystallographica Section C

2,003

59

6

i47

i49

10.1107/S0108270103009685

0.71073

MoKα

null

0.0438

null

0.0884

null

1

null

has coordinates,has Fobs

Shuvalov, Robert R.; Burns, Peter C. A new polytype of orthoboric acid, H~3~BO~3~-3T Acta Crystallographica Section C 59(6) (2003) i47-i49

303,130

2025-11-01

10:28:40

#------------------------------------------------------------------------------ #$Date: 2025-11-01 12:28:30 +0200 (Sat, 01 Nov 2025) $ #$Revision: 303130 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/32/2013259.cif $ #-------------------------------------------------------------------...