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

2,006,505

12.724

0.0004

6.703

0.0005

16.8484

0.0013

90

null

90

null

90

null

1,436.98

0.16

293

2

293

2

null

5

P n m a

-P 2ac 2n

62

Monomeric (Pyrazine)(N-salicylideneaminoisobutyrato)copper(II)

- C15 H15 Cu N3 O3 -

- C60 H60 Cu4 N12 O12 -

4

0.5

JZ1198

Warda, Salam A.

Monomeric (Pyrazine-N)(N-salicylidene-α-amino-2-methylpropanoato-O,N,O')copper(II)

Acta Crystallographica Section C

1,997

53

9

1186

1188

10.1107/S010827019700543X

0.71073

MoKα

0.0318

0.0263

null

0.0814

0.0779

null

1.087

1.118

null

has coordinates

Warda, Salam A. Monomeric (Pyrazine-N)(N-salicylidene-α-amino-2-methylpropanoato-O,N,O')copper(II) Acta Crystallographica Section C 53(9) (1997) 1186-1188

301,791

2025-08-18

23:15:28

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2,006,506

16.2226

0.0013

17.8756

0.0015

19.0452

0.0018

90

null

90

null

90

null

5,522.9

0.8

150

2

150

2

null

3

F d d d :2

-F 2uv 2vw

70

1,2,4,5-Tetrakis(trimethylsilylmethyl)benzene

- C22 H46 Si4 -

- C176 H368 Si32 -

8

0.25

JZ1201

Nagel, Norbert; Ansari, Manssur; Bock, Hans

1,2,4,5-Tetrakis(trimethylsilylmethyl)benzene at 150K

Acta Crystallographica Section C

1,997

53

9

1329

1331

10.1107/S0108270197005179

0.71073

MoKα

0.0472

0.0356

null

0.0927

0.0862

null

1.089

1.119

null

has coordinates

Nagel, Norbert; Ansari, Manssur; Bock, Hans 1,2,4,5-Tetrakis(trimethylsilylmethyl)benzene at 150K Acta Crystallographica Section C 53(9) (1997) 1329-1331

301,791

2025-08-18

23:15:28

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2,006,507

9.534

0.002

10.486

0.002

10.486

0.002

109.05

0.01

92

0.01

110.64

0.01

913.9

0.3

293

2

293

2

null

5

P -1

-P 1

2

Bis(μ-bicyclo[2.2.1]hept-5-ene-2-exo,3-exo-dicarboxylato- κ^2^O,O':κ^2^O'',O''')bis[aqua(2,2'-bipyridine-N,N')manganese(II)] Monohydrate

- C38 H38 Mn2 N4 O11 -

1

0.5

JZ1202

Baumeister, Ute; Hartung, Helmut

Bis(μ-bicyclo[2.2.1]hept-5-ene-2-exo,3-exo-dicarboxylato-κ^2^O,O':κ^2^O'',O''')bis[aqua(2,2'-bipyridine-N,N')manganese(II)] Monohydrate

Acta Crystallographica Section C

1,997

53

9

1246

1248

10.1107/S0108270197004757

0.71073

MoKα

0.0572

0.0316

null

0.084

0.0768

null

1.006

1.088

null

has coordinates

Baumeister, Ute; Hartung, Helmut Bis(μ-bicyclo[2.2.1]hept-5-ene-2-exo,3-exo-dicarboxylato-κ^2^O,O':κ^2^O'',O''')bis[aqua(2,2'-bipyridine-N,N')manganese(II)] Monohydrate Acta Crystallographica Section C 53(9) (1997) 1246-1248

301,791

2025-08-18

23:15:28

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2,006,508

10.0033

0.0001

10.0382

0.0001

14.3045

0.0001

90.619

0.001

99.805

0.001

113.053

0.001

1,297.61

0.02

140

null

140

null

2

P -1

-P 1

2

6,6-Diphenylfulvene

- C18 H14 -

- C72 H56 -

4

2

JZ1206

Bolte, Michael; Amon, Michael

6,6-Diphenylfulvene at 140K

Acta Crystallographica Section C

1,997

53

9

1354

1356

10.1107/S0108270197005854

0.71073

MoKα

0.0628

0.0417

null

0.1017

0.0909

null

1.03

1.062

null

has coordinates

Bolte, Michael; Amon, Michael 6,6-Diphenylfulvene at 140K Acta Crystallographica Section C 53(9) (1997) 1354-1356

301,791

2025-08-18

23:15:28

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2,006,509

25.524

0.008

15.174

0.005

10.978

0.003

90

null

109.07

0.03

90

null

4,018

2

293

2

293

2

null

6

C 1 2/c 1

-C 2yc

15

Tetracarbonylbis[(2-methoxyphenyl)diphenylphosphane]tungsten-dichloromethane (4/1)

- C42.25 H34.5 Cl0.5 O6 P2 W -

- C169 H138 Cl2 O24 P8 W4 -

4

0.5

KA1228

Dahlenburg, Lutz; Herbst, Konrad; Knoch, Falk

Tetracarbonylbis[(2-methoxyphenyl)diphenylphosphine-P]tungsten Dichloromethane 0.25-Solvate

Acta Crystallographica Section C

1,997

53

9

1188

1190

10.1107/S0108270197006136

0.71073

MoKα

0.0454

0.0402

null

0.1478

0.1453

null

1.165

1.232

null

has coordinates

Dahlenburg, Lutz; Herbst, Konrad; Knoch, Falk Tetracarbonylbis[(2-methoxyphenyl)diphenylphosphine-P]tungsten Dichloromethane 0.25-Solvate Acta Crystallographica Section C 53(9) (1997) 1188-1190

301,791

2025-08-18

23:15:29

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2,230,184

21.9202

0.0005

9.9343

0.0003

8.1005

0.0002

90

null

90

null

90

null

1,763.98

0.08

294

2

294

2

null

4

P b c n

-P 2n 2ab

60

(1RS,2RS,3SR,5RS,7RS)-2,5-Dichloro- 8-oxabicyclo[5.1.0]octan-3-ol

- C7 H10 Cl2 O2 -

- C56 H80 Cl16 O16 -

8

1

XU5182

Çetinkaya, Yasin; Menzek, Abdullah; Hökelek, Tuncer

(1RS,2RS,3SR,5RS,7RS)-2,5-Dichloro-8-oxabicyclo[5.1.0]octan-3-ol

Acta Crystallographica Section E

2,011

67

5

o1145

10.1107/S1600536811013304

0.71073

MoKα

0.119

0.0882

null

0.1777

0.1899

null

1.18

null

has coordinates,has Fobs

Çetinkaya, Yasin; Menzek, Abdullah; Hökelek, Tuncer (1RS,2RS,3SR,5RS,7RS)-2,5-Dichloro-8-oxabicyclo[5.1.0]octan-3-ol Acta Crystallographica Section E 67(5) (2011) o1145

176,798

2020-10-21

18:00:00

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2,006,510

14.53

0.006

13.29

0.006

14.231

0.006

90

null

110.31

0.03

90

null

2,577

2

293

2

293

2

null

4

P 1 21/c 1

-P 2ybc

14

(Tricyanomethanido)bis(2,2'-bipyridine)copper(II) Tricyanomethanide

- C28 H16 Cu N10 -

- C112 H64 Cu4 N40 -

4

1

KA1238

Potočňák, Ivan; Dunaj-Jurčo, Michal; Mikloš, Dušan; Jäger, Lothar

Bis(2,2'-bipyridine-N,N')(tricyanomethanido-N)copper(II) Tricyanomethanide

Acta Crystallographica Section C

1,997

53

9

1215

1218

10.1107/S0108270197006161

0.71073

MoKα

0.0936

0.036

null

0.1153

0.0882

null

0.662

0.744

null

has coordinates

Potočňák, Ivan; Dunaj-Jurčo, Michal; Mikloš, Dušan; Jäger, Lothar Bis(2,2'-bipyridine-N,N')(tricyanomethanido-N)copper(II) Tricyanomethanide Acta Crystallographica Section C 53(9) (1997) 1215-1218

301,791

2025-08-18

23:15:29

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2,006,511

17.427

0.002

10.021

0.005

28.639

0.003

90

null

106.71

0.01

90

null

4,790

3

293

null

7

C 1 2/c 1

-C 2yc

15

- C44 H46 Cu2 N4 P2 S6 W -

- C176 H184 Cu8 N16 P8 S24 W4 -

4

0.5

KH1106

Wang, Quanming; Wu, Xintao; Huang, Qun; Sheng, Tianlu

A Linear Cluster with Mixed Ligands, [WCu~2~S~4~(tpt)~2~(PPh~3~)~2~]

Acta Crystallographica Section C

1,997

53

9

1220

1221

10.1107/S0108270196014710

0.71069

MoKα

null

0.0368

null

0.0374

null

1.04

null

has coordinates

Wang, Quanming; Wu, Xintao; Huang, Qun; Sheng, Tianlu A Linear Cluster with Mixed Ligands, [WCu~2~S~4~(tpt)~2~(PPh~3~)~2~] Acta Crystallographica Section C 53(9) (1997) 1220-1221

176,759

2020-10-21

18:00:00

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2,006,512

18.214

0.005

7.416

0.002

12.037

0.003

90

null

108.49

0.02

90

null

1,542

0.7

293

2

293

2

null

4

P 1 21/n 1

-P 2yn

14

3-Phenyl-5-(2-naphthyl)-1,2,4-trioxolane-3-carbonitrile

- C19 H13 N O3 -

- C76 H52 N4 O12 -

4

1

KH1149

Kunsoo Lee; Taesung Huh; Hoseop Yun

The Stereochemical Assignment of the Ozonide 5-(2-Naphthyl)-3-phenyl-1,2,4-trioxolane-3-carbonitrile

Acta Crystallographica Section C

1,997

53

9

1325

1327

10.1107/S010827019700646X

0.7107

MoKα

0.0763

0.0719

null

0.2119

0.2069

null

1.053

1.085

null

has coordinates

Kunsoo Lee; Taesung Huh; Hoseop Yun The Stereochemical Assignment of the Ozonide 5-(2-Naphthyl)-3-phenyl-1,2,4-trioxolane-3-carbonitrile Acta Crystallographica Section C 53(9) (1997) 1325-1327

301,791

2025-08-18

23:15:29

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2,006,513

8.6351

0.0008

15.6177

0.001

8.8929

0.0015

90

null

115.486

0.008

90

null

1,082.6

0.2

293

null

293

null

4

P 1 21/c 1

-P 2ybc

14

- C18 H26 N4 O8 -

- C36 H52 N8 O16 -

2

0.5

LN1002

Lo, Jem-Mau; Yao, Hsueh-Hua; Lu, Tian-Huey

N,N'-Bis(2-hydroxybenzyl)-1,4-butanediammonium Dinitrate

Acta Crystallographica Section C

1,997

53

9

1327

1329

10.1107/S0108270197005878

0.7107

MolybdenumKα

0.043

0.042

null

0.049

0.048

null

1.21

null

has coordinates

Lo, Jem-Mau; Yao, Hsueh-Hua; Lu, Tian-Huey N,N'-Bis(2-hydroxybenzyl)-1,4-butanediammonium Dinitrate Acta Crystallographica Section C 53(9) (1997) 1327-1329

301,791

2025-08-18

23:15:29

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2,230,183

17.4533

0.0007

5.0836

0.0002

26.817

0.001

90

null

92.839

0.001

90

null

2,376.43

0.16

293

2

293

2

null

4

P 1 21/n 1

-P 2yn

14

4,4'-Oxybis{N-[(E)-quinolin-2-ylmethylidene]aniline}

- C32 H22 N4 O -

- C128 H88 N16 O4 -

4

1

XU5181

Djamel, Daoud; Tahar, Douadi; Djahida, Haffar; Hanane, Hammani; Salah, Chafaa

4,4'-Oxybis{N-[(E)-quinolin-2-ylmethylidene]aniline}

Acta Crystallographica Section E

2,011

67

5

o1119

o1120

10.1107/S1600536811012955

0.71073

MoKα

0.0628

0.0418

null

0.1183

0.1499

null

1.1

null

has coordinates,has Fobs

Djamel, Daoud; Tahar, Douadi; Djahida, Haffar; Hanane, Hammani; Salah, Chafaa 4,4'-Oxybis{N-[(E)-quinolin-2-ylmethylidene]aniline} Acta Crystallographica Section E 67(5) (2011) o1119-o1120

301,806

2025-08-19

15:27:02

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2,006,514

6.231

0.001

9.447

0.001

9.394

0.001

90

null

92.32

0.01

90

null

552.52

0.12

205

2

293

2

null

4

P 1 21/n 1

-P 2yn

14

Bis(trichlorosilyl)ethane

1,1,1,4,4,4-Hexachloro-1,4-disilabutane

- C2 H4 Cl6 Si2 -

- C4 H8 Cl12 Si4 -

2

0.5

LN1006

Mitzel, Norbert W.; Riede, Jürgen; Schmidbaur, Hubert

1,1,1,4,4,4-Hexachloro-1,4-disilabutane

Acta Crystallographica Section C

1,997

53

9

1335

1337

10.1107/S0108270197005866

0.71069

MoKα

0.0232

0.019

null

0.0619

0.05

null

1.12

1.145

null

has coordinates

Mitzel, Norbert W.; Riede, Jürgen; Schmidbaur, Hubert 1,1,1,4,4,4-Hexachloro-1,4-disilabutane Acta Crystallographica Section C 53(9) (1997) 1335-1337

301,791

2025-08-18

23:15:29

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2,006,515

7.802

0.002

13.221

0.003

7.142

0.001

90

null

91.24

0.03

90

null

736.5

0.3

293

2

293

2

null

5

C 1 2/c 1

-C 2yc

15

dimethylammonium trichloropalladate

- C2 H8 Cl3 N Pd -

- C8 H32 Cl12 N4 Pd4 -

4

0.5

MU1264

Eric S. Raper; Maria Kubiak; Tadeusz Głowiak

Dimethylammonium Trichloropalladate

Acta Crystallographica Section C

1,997

53

9

1201

1204

10.1107/S010827019700379X

0.71069

MoKα

0.0336

0.0267

null

0.0673

0.0652

null

1.192

1.257

null

has coordinates

Eric S. Raper; Maria Kubiak; Tadeusz Głowiak Dimethylammonium Trichloropalladate Acta Crystallographica Section C 53(9) (1997) 1201-1204

176,759

2020-10-21

18:00:00

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2,006,516

5.751

0.002

7.718

0.003

12.469

0.004

90

null

102.76

0.03

90

null

539.8

0.3

85

2

85

2

null

5

P 1 21 1

P 2yb

4

calcium D-3-phoshoglycerate tetrahydrate

- C3 H13 Ca O11 P -

- C6 H26 Ca2 O22 P2 -

2

1

MU1266

Jerzykiewicz, Lucjan B.; Lis, T.

Calcium D-3-Phosphoglycerate Tetrahydrate at 85K

Acta Crystallographica Section C

1,997

53

9

1249

1251

10.1107/S0108270197005143

0.71069

MoKα

0.0285

0.0227

null

0.0567

0.055

null

1.076

1.078

null

has coordinates

Jerzykiewicz, Lucjan B.; Lis, T. Calcium D-3-Phosphoglycerate Tetrahydrate at 85K Acta Crystallographica Section C 53(9) (1997) 1249-1251

176,759

2020-10-21

18:00:00

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2,006,517

13.339

0.004

5.48

0.002

18.208

0.005

90

null

93.73

0.02

90

null

1,328.1

0.7

292

null

292

null

4

C 1 2/c 1

-C 2yc

15

N-(2-Pyridyl)urea

- C6 H7 N3 O -

- C48 H56 N24 O8 -

8

1

MU1272

Velichka Velikova; Olyana Angelova; Krassimir Kossev

N-(2-Pyridyl)urea

Acta Crystallographica Section C

1,997

53

9

1273

1275

10.1107/S0108270197004782

0.71073

MoKα

0.065

0.039

null

0.075

0.053

null

1.449

1.028

null

has coordinates

Velichka Velikova; Olyana Angelova; Krassimir Kossev N-(2-Pyridyl)urea Acta Crystallographica Section C 53(9) (1997) 1273-1275

301,791

2025-08-18

23:15:29

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2,006,518

5.215

0.001

9.167

0.003

10.597

0.004

74.61

0.03

84.65

0.02

86.42

0.05

485.9

0.3

292

null

292

null

5

P -1

-P 1

2

N-(2-pyridinium)urea perrhenate

- C6 H8 N3 O5 Re -

- C12 H16 N6 O10 Re2 -

2

1

MU1281

Velichka Velikova; Rosica Petrova; Olyana Angelova

N-(2-Pyridinium)urea Perrhenate

Acta Crystallographica Section C

1,997

53

9

1230

1232

10.1107/S0108270197004794

0.71073

MoKα

0.051

0.045

null

0.115

0.081

null

1.658

1.18

null

has coordinates

Velichka Velikova; Rosica Petrova; Olyana Angelova N-(2-Pyridinium)urea Perrhenate Acta Crystallographica Section C 53(9) (1997) 1230-1232

301,791

2025-08-18

23:15:29

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2,006,519

6.422

0.001

10.129

0.003

10.176

0.001

85.6

0.01

72.95

0.01

75.97

0.02

614

0.2

293

2

293

2

null

6

P -1

-P 1

2

Chloro(N-pyrrolidinecarbodithioato-S,S')dimethyltin(IV)

- C7 H14 Cl N S2 Sn -

- C14 H28 Cl2 N2 S4 Sn2 -

2

1

MU1288

Othman, Abdul Hamid; Fun, Hoong-Kun; M. Yamin, Bohari

Chlorodimethyl(N-pyrrolidinecarbodithioato-S,S')tin(IV)

Acta Crystallographica Section C

1,997

53

9

1228

1230

10.1107/S0108270197004861

0.71073

MoKα

0.0328

0.0317

null

0.085

0.0842

null

1.152

1.172

null

has coordinates

Othman, Abdul Hamid; Fun, Hoong-Kun; M. Yamin, Bohari Chlorodimethyl(N-pyrrolidinecarbodithioato-S,S')tin(IV) Acta Crystallographica Section C 53(9) (1997) 1228-1230

201,955

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-10-13 03:08:28 +0300 (Fri, 13 Oct 2017) $ #$Revision: 201955 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/65/2006519.cif $ #-------------------------------------------------------------------...

2,006,520

8.386

0.002

8.149

0.002

17.267

0.004

90

null

99.04

0.04

90

null

1,165.3

0.5

298

2

298

2

null

4

P 1 21/n 1

-P 2yn

14

- C14 H12 N2 O2 -

- C56 H48 N8 O8 -

4

1

MU1289

Kožíšek, Jozef; Ingrid Svoboda; Štefan Marchalín; Bernard Decroix

cis-6,10b,11,12-Tetrahydro-12-hydroxypyrrolo[1',2':2,3]pyridazino[6,1-a]isoindol-6-one

Acta Crystallographica Section C

1,997

53

9

1362

1363

10.1107/S0108270197004800

0.71069

MoKα

0.0364

0.0325

null

0.0898

0.0843

null

1.045

1.046

null

has coordinates

Kožíšek, Jozef; Ingrid Svoboda; Štefan Marchalín; Bernard Decroix cis-6,10b,11,12-Tetrahydro-12-hydroxypyrrolo[1',2':2,3]pyridazino[6,1-a]isoindol-6-one Acta Crystallographica Section C 53(9) (1997) 1362-1363

301,791

2025-08-18

23:15:29

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/65/2006520.cif $ #-------------------------------------------------------------------...

2,006,521

9.465

0.002

10.505

0.002

15.797

0.003

70.63

0.03

83.13

0.03

69.87

0.03

1,391.2

0.6

293

null

4

P -1

-P 1

2

- C26 H42 N4 O6 -

- C52 H84 N8 O12 -

2

1

MU1293

Lawrence C. Nathan; Michael E. Silver

A Hydrated Schiff Base Derivative of Bis(acetylacetone)ethylenediimine with 2-Pyridinylethyl Side Chains

Acta Crystallographica Section C

1,997

53

9

1351

1354

10.1107/S0108270197005155

0.71073

MoKα

0.1658

0.0666

null

0.2253

0.1765

null

0.984

1.273

null

has coordinates

Lawrence C. Nathan; Michael E. Silver A Hydrated Schiff Base Derivative of Bis(acetylacetone)ethylenediimine with 2-Pyridinylethyl Side Chains Acta Crystallographica Section C 53(9) (1997) 1351-1354

301,791

2025-08-18

23:15:29

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/65/2006521.cif $ #-------------------------------------------------------------------...

2,230,182

7.7712

0.0003

10.8413

0.0003

18.9762

0.0004

90

null

90

null

90

null

1,598.74

0.08

294

2

294

2

null

5

P 21 21 21

P 2ac 2ab

19

(3aR,4S,7R,7aS)-2-Phenyl-4-propyl-\ 3a,4,7,7a-tetrahydro-1H-4,7-epithioisoindole-1,3-dione 8-oxide

- C17 H17 N O3 S -

- C68 H68 N4 O12 S4 -

4

1

XU5179

Demircan, Aydın; Şahin, Ertan; Beyazova, Gözde; Karaaslan, Muhsin; Hökelek, Tuncer

(3aR,4S,7R,7aS)-2-Phenyl-4-propyl-3a,4,7,7a-tetrahydro-1H-4,7-epithioisoindole-1,3-dione 8-oxide

Acta Crystallographica Section E

2,011

67

5

o1085

o1086

10.1107/S1600536811012876

0.71073

MoKα

0.0599

0.0473

null

0.1024

0.1075

null

1.076

null

has coordinates,has Fobs

Demircan, Aydın; Şahin, Ertan; Beyazova, Gözde; Karaaslan, Muhsin; Hökelek, Tuncer (3aR,4S,7R,7aS)-2-Phenyl-4-propyl-3a,4,7,7a-tetrahydro-1H-4,7-epithioisoindole-1,3-dione 8-oxide Acta Crystallographica Section E 67(5) (2011) o1085-o1086

301,806

2025-08-19

15:27:02

#------------------------------------------------------------------------------ #$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301806 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/01/2230182.cif $ #-------------------------------------------------------------------...

2,006,522

19.923

0.005

41.216

0.009

10.068

0.003

90

null

90

null

90

null

8,267

4

293

2

293

2

null

6

P n m a

-P 2ac 2n

62

catena-poly[hexakis(acetonitrile)aluminium tri{[tetrachlorotellurate(IV)]μ-chloro}]-acetonitrile solvate,

- C14 H21 Al Cl15 N7 Te3 -

- C14 H21.5 Al Cl15 N7 Te3 -

- C112 H172 Al8 Cl120 N56 Te24 -

8

1

MU1301

Favier, F.; Pascal, J. L.; Belin, C.; Tillard-Charbonnel, M.

A New Pentachlorotellurate(IV): catena-Poly[hexakis(acetonitrile)aluminium tris[tetrachlorotellurate(IV)-μ-chloro] acetonitrile]

Acta Crystallographica Section C

1,997

53

9

1234

1236

10.1107/S0108270197004824

0.7107

MoKα

0.0379

0.0375

null

0.0812

0.0788

null

1.013

null

has coordinates

Favier, F.; Pascal, J. L.; Belin, C.; Tillard-Charbonnel, M. A New Pentachlorotellurate(IV): catena-Poly[hexakis(acetonitrile)aluminium tris[tetrachlorotellurate(IV)-μ-chloro] acetonitrile] Acta Crystallographica Section C 53(9) (1997) 1234-1236

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/65/2006522.cif $ #-------------------------------------------------------------------...

2,006,523

20.239

0.005

10.911

0.002

15.197

0.006

90

null

126.58

0.011

90

null

2,694.9

1.4

293

2

293

2

null

5

C 1 2/c 1

-C 2yc

15

4-Chlorophenyl-2,6-dimethyl phenylsulphone

- C14 H13 Cl O2 S -

- C112 H104 Cl8 O16 S8 -

8

1

MU1313

Jeyaraman, Jeyakanthan; Velmurugan, D.

4-Chlorophenyl 2,6-Dimethylphenyl Sulfone

Acta Crystallographica Section C

1,997

53

9

1344

1345

10.1107/S0108270197005714

0.71069

MoKα

0.0712

0.0513

null

0.1532

0.1371

null

1.056

1.118

null

has coordinates

Jeyaraman, Jeyakanthan; Velmurugan, D. 4-Chlorophenyl 2,6-Dimethylphenyl Sulfone Acta Crystallographica Section C 53(9) (1997) 1344-1345

301,791

2025-08-18

23:15:29

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/65/2006523.cif $ #-------------------------------------------------------------------...

2,006,524

8.389

0.001

8.58

0.001

8.934

0.001

90

null

93.689

0.002

90

null

641.72

0.13

100

2

100

2

null

4

P 1 21 1

P 2yb

4

- C13 H12 N4 O4 -

- C26 H24 N8 O8 -

2

1

NA1281

Cole, Jacqueline M.; Howard, Judith A. K.; MacBride, J. A. Hugh

3,5-Dinitro-2-{[(R)-({-})-1-phenylethyl]amino}pyridine

Acta Crystallographica Section C

1,997

53

9

1331

1334

10.1107/S0108270197005507

0.71073

MoKα

0.0549

0.0449

null

0.1276

0.0971

null

1.169

1.115

null

has coordinates

Cole, Jacqueline M.; Howard, Judith A. K.; MacBride, J. A. Hugh 3,5-Dinitro-2-{[(R)-({-})-1-phenylethyl]amino}pyridine Acta Crystallographica Section C 53(9) (1997) 1331-1334

301,791

2025-08-18

23:15:29

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/65/2006524.cif $ #-------------------------------------------------------------------...

2,006,525

38.846

0.002

7.434

0.001

7.367

0.001

90

null

90

null

90

null

2,127.5

0.4

293

null

293

null

5

P c a b

-P 2bc 2ac

61

bis-(β-phenylethylammonium) tetrachlorocadmate

- C16 H24 Cd Cl4 N2 -

- C64 H96 Cd4 Cl16 N8 -

4

0.5

NA1289

Monika Groh; Spengler, Roland; Burzlaff, Hans; Zouari, Fatma; Ben Salah, Abdelhamid

(C~6~H~5~CH~2~CH~2~NH~3~)~2~[CdCl~4~]

Acta Crystallographica Section C

1,997

53

9

1199

1201

10.1107/S0108270197005726

0.70926

MoKα~1~

null

0.039

null

0.95

null

has coordinates

Monika Groh; Spengler, Roland; Burzlaff, Hans; Zouari, Fatma; Ben Salah, Abdelhamid (C~6~H~5~CH~2~CH~2~NH~3~)~2~[CdCl~4~] Acta Crystallographica Section C 53(9) (1997) 1199-1201

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/65/2006525.cif $ #-------------------------------------------------------------------...

2,006,526

11.507

0.002

7.399

0.001

15.802

0.002

90

null

106.83

0.01

90

null

1,287.8

0.3

293

2

293

2

null

5

P 1 21/c 1

-P 2ybc

14

1-(2,4-difluorophenyl)-1H,3H-thiazolo[3,4-a]benzimidazole

- C15 H10 F2 N2 S -

- C60 H40 F8 N8 S4 -

4

1

NA1293

Bruno, Giuseppe; Chimirri, Alba; Monforte, Anna Maria; Nicoló, Francesco; Scopelliti, Rosario

1-Aryl-1H,3H-thiazolo[3,4-a]benzimidazole Derivatives

Acta Crystallographica Section C

1,997

53

9

1337

1341

10.1107/S0108270197004976

0.71073

MoKα

0.0402

0.0332

null

0.0897

0.0878

null

1.077

1.16

null

has coordinates

Bruno, Giuseppe; Chimirri, Alba; Monforte, Anna Maria; Nicoló, Francesco; Scopelliti, Rosario 1-Aryl-1H,3H-thiazolo[3,4-a]benzimidazole Derivatives Acta Crystallographica Section C 53(9) (1997) 1337-1341

301,791

2025-08-18

23:15:29

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/65/2006526.cif $ #-------------------------------------------------------------------...

2,230,181

22.491

0.003

5.4342

0.0007

14.3118

0.0019

90

null

106.788

0.002

90

null

1,674.6

0.4

296

2

296

2

null

4

C 1 c 1

C -2yc

9

N,N'-Dicarboxy-N,N'-dicarboxylato(m- phenylene)dimethanaminium monohydrate

- C16 H22 N2 O9 -

- C64 H88 N8 O36 -

4

1

XU5178

Qiang, Yu-Xing; Zhu, Shou-Rong; Shao, Min

N,N'-Dicarboxy-N,N'-dicarboxylato(m-phenylene)dimethanaminium monohydrate

Acta Crystallographica Section E

2,011

67

5

o1174

10.1107/S1600536811013675

0.71073

MoKα

0.0358

0.0299

null

0.0652

0.0691

null

0.968

null

has coordinates,has Fobs

Qiang, Yu-Xing; Zhu, Shou-Rong; Shao, Min N,N'-Dicarboxy-N,N'-dicarboxylato(m-phenylene)dimethanaminium monohydrate Acta Crystallographica Section E 67(5) (2011) o1174

176,798

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-21 02:03:34 +0200 (Sun, 21 Feb 2016) $ #$Revision: 176798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/01/2230181.cif $ #-------------------------------------------------------------------...

2,006,527

7.74

0.002

13.03

0.005

14.694

0.005

83.3

0.03

79.2

0.03

76.72

0.03

1,412.5

0.8

293

2

293

2

null

5

P -1

-P 1

2

1-(2,6-dichlorophenyl)-1H,3H-thiazolo[3,4-a]benzimidazole

- C15 H10 Cl2 N2 S -

- C60 H40 Cl8 N8 S4 -

4

2

NA1293

Bruno, Giuseppe; Chimirri, Alba; Monforte, Anna Maria; Nicoló, Francesco; Scopelliti, Rosario

1-Aryl-1H,3H-thiazolo[3,4-a]benzimidazole Derivatives

Acta Crystallographica Section C

1,997

53

9

1337

1341

10.1107/S0108270197004976

0.71073

MoKα

0.0521

0.0381

null

0.111

0.1062

null

1.074

1.216

null

has coordinates

Bruno, Giuseppe; Chimirri, Alba; Monforte, Anna Maria; Nicoló, Francesco; Scopelliti, Rosario 1-Aryl-1H,3H-thiazolo[3,4-a]benzimidazole Derivatives Acta Crystallographica Section C 53(9) (1997) 1337-1341

301,791

2025-08-18

23:15:29

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/65/2006527.cif $ #-------------------------------------------------------------------...

2,006,528

22.093

0.005

7.878

0.001

31.473

0.005

90

null

100.28

0.03

90

null

5,389.9

1.7

293

2

293

2

null

6

I 1 2/a 1

-I 2ya

15

1-(2-chloro-6-fluorophenyl)-1H,3H-thiazolo[3,4-a]benzimidazole

- C15 H10 Cl F N2 S -

- C240 H160 Cl16 F16 N32 S16 -

16

2

NA1293

Bruno, Giuseppe; Chimirri, Alba; Monforte, Anna Maria; Nicoló, Francesco; Scopelliti, Rosario

1-Aryl-1H,3H-thiazolo[3,4-a]benzimidazole Derivatives

Acta Crystallographica Section C

1,997

53

9

1337

1341

10.1107/S0108270197004976

0.71073

MoKα

0.1274

0.0769

null

0.2136

0.1892

null

0.905

1.149

null

has coordinates

Bruno, Giuseppe; Chimirri, Alba; Monforte, Anna Maria; Nicoló, Francesco; Scopelliti, Rosario 1-Aryl-1H,3H-thiazolo[3,4-a]benzimidazole Derivatives Acta Crystallographica Section C 53(9) (1997) 1337-1341

301,791

2025-08-18

23:15:29

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/65/2006528.cif $ #-------------------------------------------------------------------...

2,006,529

7.643

0.003

6.509

0.002

24.14

0.001

90

null

97.76

0.03

90

null

1,189.9

0.6

292

null

292

null

4

P 1 21/n 1

-P 2yn

14

2-amino-5-nitro-pyridine : 3-nitro-2-pyridone (1 : 1)

- C10 H9 N5 O5 -

- C40 H36 N20 O20 -

4

1

NA1296

Velikova, Velichka; Kossev, Krasimir; Angelova, Olyana

1:1 Molecular Complex of 2-Amino-5-nitropyridine and 3-Nitro-2-pyridone

Acta Crystallographica Section C

1,997

53

9

1270

1273

10.1107/S0108270197005799

0.71073

MoKα

0.0973

0.0424

null

0.138

null

0.1043

null

1.023

null

1.132

null

has coordinates

Velikova, Velichka; Kossev, Krasimir; Angelova, Olyana 1:1 Molecular Complex of 2-Amino-5-nitropyridine and 3-Nitro-2-pyridone Acta Crystallographica Section C 53(9) (1997) 1270-1273

301,791

2025-08-18

23:15:29

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/65/2006529.cif $ #-------------------------------------------------------------------...

2,006,530

7.3706

0.0003

14.3273

0.0007

15.9318

0.0008

90

null

90

null

90

null

1,682.41

0.14

293

null

293

null

5

P 21 21 21

P 2ac 2ab

19

(-)(4aS,6R,8aS)-4a,5,9,10,11,12-hexahydro-3-methoxy-11-methyl-6H-benzofuro [3a,3,2-ef] [2]benzazepin-6-ol hydrobromide

- C17 H22 Br N O3 -

- C68 H88 Br4 N4 O12 -

4

1

NA1303

Oswald M. Peeters; Norbert M. Blaton; Camiel J. De Ranter

({-})-Galanthaminium Bromide

Acta Crystallographica Section C

1,997

53

9

1284

1286

10.1107/S0108270197006240

1.54184

CuKα

0.0299

0.0295

null

0.0811

null

0.0811

null

1.044

null

1.044

null

has coordinates

Oswald M. Peeters; Norbert M. Blaton; Camiel J. De Ranter ({-})-Galanthaminium Bromide Acta Crystallographica Section C 53(9) (1997) 1284-1286

301,791

2025-08-18

23:15:29

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/65/2006530.cif $ #-------------------------------------------------------------------...

2,230,180

11.7264

0.0019

16.617

0.003

9.963

0.0016

90

null

101.522

0.002

90

null

1,902.2

0.6

299

2

299

2

null

5

C 1 c 1

C -2yc

9

Ethyl 2-[3-(3,5-Dinitrobenzoyl)thioureido]benzoate

- C17 H14 N4 O7 S -

- C68 H56 N16 O28 S4 -

4

1

XU5177

Saeed, Sohail; Rashid, Naghmana; Bhatti, Moazzam H.; Wong, Wing-Tak

Ethyl 2-[3-(3,5-Dinitrobenzoyl)thioureido]benzoate

Acta Crystallographica Section E

2,011

67

5

o1114

10.1107/S1600536811012918

0.71073

MoKα

0.0412

0.037

null

0.0906

0.0945

null

1.095

null

has coordinates,has disorder,has Fobs

Saeed, Sohail; Rashid, Naghmana; Bhatti, Moazzam H.; Wong, Wing-Tak Ethyl 2-[3-(3,5-Dinitrobenzoyl)thioureido]benzoate Acta Crystallographica Section E 67(5) (2011) o1114

301,806

2025-08-19

15:27:02

#------------------------------------------------------------------------------ #$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301806 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/01/2230180.cif $ #-------------------------------------------------------------------...

2,006,531

13.177

0.002

18.645

0.003

21.8

0.003

90

null

99.82

0.01

90

null

5,277.5

1.4

23

null

296

null

7

P 1 21/m 1

-P 2yb

11

Dipotassium Trieuropium Trihydrogen Hexatitanooctadecatungstodigermanate

- Eu3 Ge2 H77 K2 O114 Ti6 W18 -

- Eu3 Ge2 K2 O114 Ti6 W18 -

- Eu6 Ge4 K4 O228 Ti12 W36 -

2

0.5

OA1005

Sugeta, Moriyasu; Yamase, Toshihiro

A Tricapped Trigonal Prismatic EuO(H~2~O)~8~ Site in Trihydrogen Tris(octaaquaeuropium) Dipotassium Digermanohexatitanooctadecatungstate(14‒) Tridecahydrate

Acta Crystallographica Section C

1,997

53

9

1166

1170

10.1107/S0108270197002941

0.7107

MoKα

null

0.066

null

0.057

null

2.3

null

has coordinates

Sugeta, Moriyasu; Yamase, Toshihiro A Tricapped Trigonal Prismatic EuO(H~2~O)~8~ Site in Trihydrogen Tris(octaaquaeuropium) Dipotassium Digermanohexatitanooctadecatungstate(14‒) Tridecahydrate Acta Crystallographica Section C 53(9) (1997) 1166-1170

176,435

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/65/2006531.cif $ #-------------------------------------------------------------------...

2,006,532

6.979

0.001

15.649

0.002

12.515

0.002

90

null

90

null

90

null

1,366.8

0.3

293

2

293

2

null

5

P n a 21

P 2c -2n

33

carbonylchloro(η^5^-cyclopentadienyl)(1-ethoxybutylidene)ruthenium

- C12 H17 Cl O2 Ru -

- C48 H68 Cl4 O8 Ru4 -

4

1

QB0009

Abboud, Khalil A.; Yin, Jianguo; Jones, William, M.

Carbonylchloro(η^5^-cyclopentadienyl)(1-ethoxybutylidene)ruthenium

Acta Crystallographica Section C

1,997

53

9

IUC9700011

10.1107/S0108270197099459

0.71073

MoKα

0.0365

0.0262

null

0.0545

0.0523

null

1.012

1.088

null

has coordinates

Abboud, Khalil A.; Yin, Jianguo; Jones, William, M. Carbonylchloro(η^5^-cyclopentadienyl)(1-ethoxybutylidene)ruthenium Acta Crystallographica Section C 53(9) (1997) IUC9700011

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/65/2006532.cif $ #-------------------------------------------------------------------...

2,006,533

11.184

0.002

6.433

0.001

13.156

0.004

90

null

113.72

0.01

90

null

866.6

0.3

293

2

293

2

null

5

P 1 21/n 1

-P 2yn

14

6-Amino-5-formyl-1,3-dimethyl-2-thiouracil

- C7 H9 N3 O2 S -

- C28 H36 N12 O8 S4 -

4

1

QB0011

Pomés Hernández, Ramón; Dago Morales, Angel; Mascarenhas, Yvonne; Moreno Carretero, Miguel; Jimenez Pulido, Sonia; Hueso Ureña, Francisco

6-Amino-5-formyl-1,3-dimethyl-2-thiouracil

Acta Crystallographica Section C

1,997

53

9

IUC9700012

10.1107/S0108270197099447

0.71069

MoKα

0.1098

0.0494

null

0.1349

0.1025

null

1.052

1.071

null

has coordinates

Pomés Hernández, Ramón; Dago Morales, Angel; Mascarenhas, Yvonne; Moreno Carretero, Miguel; Jimenez Pulido, Sonia; Hueso Ureña, Francisco 6-Amino-5-formyl-1,3-dimethyl-2-thiouracil Acta Crystallographica Section C 53(9) (1997) IUC9700012

301,791

2025-08-18

23:15:29

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/65/2006533.cif $ #-------------------------------------------------------------------...

2,006,534

8.4068

0.0004

11.4513

0.0005

14.9166

0.0006

76.375

0.003

81.461

0.003

71.342

0.003

1,318.07

0.1

150

2

150

2

null

6

P -1

-P 1

2

Bis(barium disaccharinate triglyme)

- C44 H52 Ba2 N4 O20 S4 -

1

0.5

SK1065

Näther, Christian; Hauck, Tim; Bock, Hans

Bis(barium disaccharinate triglyme)

Acta Crystallographica Section C

1,997

53

9

1244

1246

10.1107/S0108270197003351

0.71073

MoKα

0.0362

0.0301

null

0.0745

0.0713

null

1.061

1.074

null

has coordinates

Näther, Christian; Hauck, Tim; Bock, Hans Bis(barium disaccharinate triglyme) Acta Crystallographica Section C 53(9) (1997) 1244-1246

301,791

2025-08-18

23:15:29

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/65/2006534.cif $ #-------------------------------------------------------------------...

2,006,535

6.527

0.001

17.257

0.003

13.99

0.003

90

null

93.58

0.03

90

null

1,572.7

0.5

293

2

293

2

null

4

P 1 21/c 1

-P 2ybc

14

2-(2-Benzoxazolyl)-3-(5-diethylamino-2-furyl)propenenitrile

- C18 H17 N3 O2 -

- C72 H68 N12 O8 -

4

1

SK1099

Ján Lokaj; Viktor Kettmann; Jarmila Štetinová; Rudolf Kada; Viktor Vrábel

2-(1,3-Benzoxazol-2-yl)-3-(5-diethylamino-2-furyl)propenenitrile

Acta Crystallographica Section C

1,997

53

9

1358

1359

10.1107/S0108270197005337

0.71073

MoKα

0.102

0.0629

null

0.2109

0.1404

null

0.901

1.309

null

has coordinates

Ján Lokaj; Viktor Kettmann; Jarmila Štetinová; Rudolf Kada; Viktor Vrábel 2-(1,3-Benzoxazol-2-yl)-3-(5-diethylamino-2-furyl)propenenitrile Acta Crystallographica Section C 53(9) (1997) 1358-1359

201,955

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-10-13 03:08:28 +0300 (Fri, 13 Oct 2017) $ #$Revision: 201955 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/65/2006535.cif $ #-------------------------------------------------------------------...

2,230,179

5.8847

0.0004

17.196

0.003

9.7075

0.0009

90

null

95.184

0.001

90

null

978.3

0.2

298

2

298

2

null

4

P 1 21 1

P 2yb

4

(R~p~)-2-Isopropyl-5-methylcyclohexyl isopropyl(phenyl)phosphinate

- C19 H31 O2 P -

- C38 H62 O4 P2 -

2

1

XU5176

Liu, Li-Juan; Xu, Hao; Meng, Fan-Jie; Wang, Da-Qi; Zhao, Chang-Qiu

(R~p~)-2-Isopropyl-5-methylcyclohexyl isopropyl(phenyl)phosphinate

Acta Crystallographica Section E

2,011

67

5

o1186

10.1107/S1600536811013390

0.71073

MoKα

0.0782

0.0465

null

0.068

0.073

null

1

null

has coordinates,has Fobs

Liu, Li-Juan; Xu, Hao; Meng, Fan-Jie; Wang, Da-Qi; Zhao, Chang-Qiu (R~p~)-2-Isopropyl-5-methylcyclohexyl isopropyl(phenyl)phosphinate Acta Crystallographica Section E 67(5) (2011) o1186

301,806

2025-08-19

15:27:02

#------------------------------------------------------------------------------ #$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301806 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/01/2230179.cif $ #-------------------------------------------------------------------...

2,006,536

12.05

0.007

14.901

0.01

8.363

0.007

103.6

0.06

99.13

0.06

74.71

0.05

1,400.4

1.8

150

null

150

null

8

P -1

-P 1

2

- C14 H30 Cl4 F3 N4 O7 Ru S -

- C28 H60 Cl8 F6 N8 O14 Ru2 S2 -

2

1

SK1100

Levason, William; Quirk, Jeffrey J.; Reid, Gillian

trans-[RuCl~2~(dmf)~4~]CF~3~SO~3~.CH~2~Cl~2~

Acta Crystallographica Section C

1,997

53

9

1224

1226

10.1107/S0108270197005349

0.71073

MoKα

0.064

0.0448

null

0.0548

0.0532

null

2.5

2.787

null

has coordinates

Levason, William; Quirk, Jeffrey J.; Reid, Gillian trans-[RuCl~2~(dmf)~4~]CF~3~SO~3~.CH~2~Cl~2~ Acta Crystallographica Section C 53(9) (1997) 1224-1226

176,435

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/65/2006536.cif $ #-------------------------------------------------------------------...

2,006,537

13.5225

0.0008

6.9078

0.0003

17.6194

0.001

90

null

102.327

0.005

90

null

1,607.9

0.15

293

2

293

2

null

6

P 1 21/n 1

-P 2yn

14

5-Ethyl-2-methylpyridine-(N-salicylideneglycinato)copper(II) Polymer

- C17 H18 Cu N2 O3 n -

- C17 H18 Cu N2 O3 -

- C68 H72 Cu4 N8 O12 -

4

1

SK1101

Warda, Salam A.

catena-Poly[[(5-ethyl-2-methylpyridine-N)copper(II)]-μ-(N-salicylideneglycinato-O,N,O':O'')]

Acta Crystallographica Section C

1,997

53

9

1184

1186

10.1107/S0108270197005350

1.54178

CuKα

0.0394

0.0367

null

0.1051

0.1042

null

1.07

1.091

null

has coordinates

Warda, Salam A. catena-Poly[[(5-ethyl-2-methylpyridine-N)copper(II)]-μ-(N-salicylideneglycinato-O,N,O':O'')] Acta Crystallographica Section C 53(9) (1997) 1184-1186

176,435

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/65/2006537.cif $ #-------------------------------------------------------------------...

2,006,538

8.985

0.0008

8.985

0.0008

17.1652

0.001

90

null

90

null

90

null

1,385.75

0.19

293

2

293

2

null

5

P 43

P 4cw

78

(11R-trans)-11-ethylthio-1,2,3,10,11,11a-hexahydro‒5H-pyrrolo[2,1-c][1,4] benzodiazepin-5-one

- C14 H18 N2 O S -

- C56 H72 N8 O4 S4 -

4

1

SK1103

Kubicki, Maciej; Szkaradzińska, Maria B.; Codding, Penelope W.

(11R,11aS-trans)-11-Ethylthio-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one

Acta Crystallographica Section C

1,997

53

9

1288

1290

10.1107/S0108270197005581

1.54178

CuKα

0.0558

0.0529

null

0.1476

0.1443

null

1.083

1.115

null

has coordinates,has disorder

Kubicki, Maciej; Szkaradzińska, Maria B.; Codding, Penelope W. (11R,11aS-trans)-11-Ethylthio-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one Acta Crystallographica Section C 53(9) (1997) 1288-1290

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/65/2006538.cif $ #-------------------------------------------------------------------...

2,006,539

6.93

0.0002

15.5478

0.0015

16.5453

0.0013

90

null

90

null

90

null

1,782.7

0.2

223

2

223

2

null

4

P 21 21 21

P 2ac 2ab

19

(4R,5S,2'S,3'S)-3-(3'-hydroxy-2'-methyl-7'-octinoyl)-5-phenyl- 4-methyl-2-oxazolidinone

- C19 H23 N O4 -

- C76 H92 N4 O16 -

4

1

SX1016

Carballo, Rosa; Fernández-Suárez, Miryam; Muñoz, Luis; Riguera, Ricardo; Maichle-Mössmer, Cäcilia

Absolute Configuration of an Intermediate in the Asymmetric Synthesis of Natural β-Hydroxy and β-Amino Acids

Acta Crystallographica Section C

1,997

53

9

1312

1314

10.1107/S0108270197005957

1.5418

CuKα

0.0361

0.0348

null

0.0948

0.093

null

1.043

1.041

null

has coordinates

Carballo, Rosa; Fernández-Suárez, Miryam; Muñoz, Luis; Riguera, Ricardo; Maichle-Mössmer, Cäcilia Absolute Configuration of an Intermediate in the Asymmetric Synthesis of Natural β-Hydroxy and β-Amino Acids Acta Crystallographica Section C 53(9) (1997) 1312-1314

301,791

2025-08-18

23:15:29

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/65/2006539.cif $ #-------------------------------------------------------------------...

2,230,178

21.718

0.004

14.347

0.003

16.311

0.003

90

null

117.045

0.003

90

null

4,526.6

1.5

293

2

293

2

null

5

C 1 2/c 1

-C 2yc

15

(2-Hydroxyacetato-κO^1^)bis(1,10-phenanthroline- κ^2^N,N')copper(II) nitrate

- C26 H19 Cu N5 O6 -

- C208 H152 Cu8 N40 O48 -

8

1

XU5175

Kong, Ya-Jie; Yuan, Zhuang-Dong

(2-Hydroxyacetato-κO^1^)bis(1,10-phenanthroline-κ^2^N,N')copper(II) nitrate

Acta Crystallographica Section E

2,011

67

5

m592

10.1107/S1600536811013110

0.71073

MoKα

0.0354

0.0329

null

0.0992

0.1012

null

1.055

null

has coordinates,has Fobs

Kong, Ya-Jie; Yuan, Zhuang-Dong (2-Hydroxyacetato-κO^1^)bis(1,10-phenanthroline-κ^2^N,N')copper(II) nitrate Acta Crystallographica Section E 67(5) (2011) m592

301,806

2025-08-19

15:27:02

#------------------------------------------------------------------------------ #$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301806 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/01/2230178.cif $ #-------------------------------------------------------------------...

2,006,540

17.977

0.004

11.819

0.007

14.696

0.002

90

null

90.775

0.015

90

null

3,122

2

293

null

293

null

6

I 1 2/c 1

-I 2yc

15

- C30 H30 Cl2 Co N8 O2 -

- C120 H120 Cl8 Co4 N32 O8 -

4

0.5

TA1062

Cheng, K.-L.; Sheu, S.-C.; Lee, G.-H.; Lin, Y-C.; Wang, Y.; Ho, T.-I.

[6,6'-Bis(benzimidazol-2-yl-N^3^)-2,2'-bipyridine]dichlorocobalt(II)‒Dimethylformamide (1/2)

Acta Crystallographica Section C

1,997

53

9

1238

1240

10.1107/S0108270196015387

0.71073

MoKα

0.149

null

0.048

null

1.08

null

has coordinates

Cheng, K.-L.; Sheu, S.-C.; Lee, G.-H.; Lin, Y-C.; Wang, Y.; Ho, T.-I. [6,6'-Bis(benzimidazol-2-yl-N^3^)-2,2'-bipyridine]dichlorocobalt(II)‒Dimethylformamide (1/2) Acta Crystallographica Section C 53(9) (1997) 1238-1240

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/65/2006540.cif $ #-------------------------------------------------------------------...

2,006,541

10.5

0.005

15.507

0.004

6.804

0.004

90

null

90.48

0.05

90

null

1,107.8

0.9

300

null

300

null

3

P 1 21/a 1

-P 2yab

14

- Ba2 Cl7 Er -

- Ba8 Cl28 Er4 -

4

1

TA1137

Tsuchiya, S.; Hanaue, Y.; Kimura, E.; Ishizawa, N.

Ba~2~ErCl~7~

Acta Crystallographica Section C

1,997

53

9

1180

1181

10.1107/S0108270197004502

0.7107

Mo_Kα

0.047

0.032

null

0.03

0.029

null

1.442

1.527

null

has coordinates

Tsuchiya, S.; Hanaue, Y.; Kimura, E.; Ishizawa, N. Ba~2~ErCl~7~ Acta Crystallographica Section C 53(9) (1997) 1180-1181

176,432

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176432 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/65/2006541.cif $ #-------------------------------------------------------------------...

2,006,542

10.597

0.002

21.337

0.002

5.855

0.001

90

null

90

null

90

null

1,323.9

0.4

296

null

23

null

5

P 21 21 21

P 2ac 2ab

19

- C6 H18 N2 O11 S -

- C6 H18 N2 O12 S -

- C24 H72 N8 O48 S4 -

4

1

TA1155

Zhang, Hong; Wang, Ximin; Chang, Xienan; Xiao, Weiqiang; Zhang, Kecong; Teo, Boon K.

An Assessment of Ionic and Hydrogen Bonding in the Crystal Structure of (DL-Serine. H^+^)~2~.SO~4~^2{-^}.H~2~O

Acta Crystallographica Section C

1,997

53

9

1286

1288

10.1107/S0108270197006951

0.7107

MoKα

null

0.034

null

0.032

null

1.95

null

has coordinates

Zhang, Hong; Wang, Ximin; Chang, Xienan; Xiao, Weiqiang; Zhang, Kecong; Teo, Boon K. An Assessment of Ionic and Hydrogen Bonding in the Crystal Structure of (DL-Serine. H^+^)~2~.SO~4~^2{-^}.H~2~O Acta Crystallographica Section C 53(9) (1997) 1286-1288

176,435

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/65/2006542.cif $ #-------------------------------------------------------------------...

2,006,543

11.075

0.001

9.268

0.001

40.17

0.005

90

null

94.05

0.01

90

null

4,112.9

0.8

293

3

293

3

null

5

P 1 21/n 1

-P 2yn

14

[2,4-diamino-5-(3,4,5-trimethoxybenzyl)pyrimidine] . [4-amino-N-(4,6-dimethyl-2-pyrimidinyl)benzene-sulfonamide] 1:2 complex monohydrate

- C38 H48 N12 O8 S2 -

- C152 H192 N48 O32 S8 -

4

1

VJ1044

Nicola Sardone; Giampiero Bettinetti; Milena Sorrenti

Trimethoprim–Sulfadimidine 1:2 Molecular Complex Monohydrate

Acta Crystallographica Section C

1,997

53

9

1295

1299

10.1107/S0108270197000425

1.54184

CuKα

0.055

0.049

null

0.05

null

1.616

null

has coordinates

Nicola Sardone; Giampiero Bettinetti; Milena Sorrenti Trimethoprim–Sulfadimidine 1:2 Molecular Complex Monohydrate Acta Crystallographica Section C 53(9) (1997) 1295-1299

301,791

2025-08-18

23:15:29

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/65/2006543.cif $ #-------------------------------------------------------------------...

2,230,177

6.636

0.0013

14.907

0.003

13.588

0.003

90

null

95.09

0.03

90

null

1,338.9

0.5

296

2

296

2

null

5

C 1 c 1

C -2yc

9

Bis(4-amino-2-chlorophenyl) disulfide

4-[(4-amino-2-chlorophenyl)disulfanyl]-3-chloroaniline

- C12 H10 Cl2 N2 S2 -

- C48 H40 Cl8 N8 S8 -

4

1

XU5174

Tang, Jun-Mei; Feng, Zhi-Qiang; Cheng, Wei

Bis(4-amino-2-chlorophenyl) disulfide

Acta Crystallographica Section E

2,011

67

5

o1197

10.1107/S1600536811014425

0.71073

MoKα

0.0354

0.0312

null

0.0849

0.088

null

1.001

null

has coordinates,has Fobs

Tang, Jun-Mei; Feng, Zhi-Qiang; Cheng, Wei Bis(4-amino-2-chlorophenyl) disulfide Acta Crystallographica Section E 67(5) (2011) o1197

301,806

2025-08-19

15:27:02

#------------------------------------------------------------------------------ #$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301806 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/01/2230177.cif $ #-------------------------------------------------------------------...

2,006,544

13.087

0.001

9.835

0.001

6.015

0.002

90

null

103.33

0.01

90

null

753.3

0.3

296.2

null

296.2

null

4

P 1 21/a 1

-P 2yab

14

- Cu4 H6 O10 S -

- Cu16 H24 O40 S4 -

4

1

AB1459

Helliwell, Madeleine; Smith, Joseph V.

Brochantite

Acta Crystallographica Section C

1,997

53

10

1369

1371

10.1107/S0108270197006318

0.7107

MoKα

0.1053

0.0416

null

0.0492

0.0394

null

1.467

1.619

null

has coordinates

Helliwell, Madeleine; Smith, Joseph V. Brochantite Acta Crystallographica Section C 53(10) (1997) 1369-1371

176,435

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/65/2006544.cif $ #-------------------------------------------------------------------...

2,006,545

11.388

0.002

10.171

0.002

11.767

0.005

90

0.03

90

0.03

90

0.01

1,362.9

0.7

294

null

294

null

4

P b c a

null

- C5 H8 N4 O2 -

- C40 H64 N32 O16 -

8

1

AB1467

Piacenza, Guy; Beguet, Christelle; Wimmer, Eric; Gallo, Roger; Giorgi, Michel

2,4,6,8-Tetraazabicyclo[3.3.1]nonane-3,7-dione and 2,4,6,8-Tetraacetyl-2,4,6,8-tetraazabicyclo[3.3.1]nonane-3,7-dione

Acta Crystallographica Section C

1,997

53

10

1459

1462

10.1107/S0108270197006495

0.71073

MoKα

0.049

0.039

null

0.052

null

1.835

null

has coordinates,has Fobs

Piacenza, Guy; Beguet, Christelle; Wimmer, Eric; Gallo, Roger; Giorgi, Michel 2,4,6,8-Tetraazabicyclo[3.3.1]nonane-3,7-dione and 2,4,6,8-Tetraacetyl-2,4,6,8-tetraazabicyclo[3.3.1]nonane-3,7-dione Acta Crystallographica Section C 53(10) (1997) 1459-1462

301,791

2025-08-18

23:15:29

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2,006,546

8.979

0.002

16.265

0.006

10.342

0.001

90

0.02

99.63

0.02

90

0.02

1,489.1

0.7

294

null

294

null

4

P 1 21/c 1

-P 2ybc

14

- C13 H16 N4 O6 -

- C52 H64 N16 O24 -

4

1

AB1467

Piacenza, Guy; Beguet, Christelle; Wimmer, Eric; Gallo, Roger; Giorgi, Michel

2,4,6,8-Tetraazabicyclo[3.3.1]nonane-3,7-dione and 2,4,6,8-Tetraacetyl-2,4,6,8-tetraazabicyclo[3.3.1]nonane-3,7-dione

Acta Crystallographica Section C

1,997

53

10

1459

1462

10.1107/S0108270197006495

0.71073

MoKα

0.071

0.047

null

0.062

null

2.165

null

has coordinates,has Fobs

Piacenza, Guy; Beguet, Christelle; Wimmer, Eric; Gallo, Roger; Giorgi, Michel 2,4,6,8-Tetraazabicyclo[3.3.1]nonane-3,7-dione and 2,4,6,8-Tetraacetyl-2,4,6,8-tetraazabicyclo[3.3.1]nonane-3,7-dione Acta Crystallographica Section C 53(10) (1997) 1459-1462

301,791

2025-08-18

23:15:29

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2,006,547

12.479

0.003

27.145

0.008

12.591

0.004

90

null

97.4

0.01

90

null

4,230

2

120

null

120

null

4

P 1 21/n 1

-P 2yn

14

5,11,17,23-tetra(methylthio)-25,26,27,28-tetrapropoxy-calix[4]arene

- C44 H56 O4 S4 -

- C176 H224 O16 S16 -

4

1

AB1468

Schultz, Thomas M.; Hazell, Rita G.; Larsen, Mogens

The Cone Conformer of a Tetrakis(methylthio)tetrapropoxycalix[4]arene

Acta Crystallographica Section C

1,997

53

10

1495

1497

10.1107/S0108270197007725

0.71073

MoKα

null

0.057

null

0.067

null

1.466

null

has coordinates

Schultz, Thomas M.; Hazell, Rita G.; Larsen, Mogens The Cone Conformer of a Tetrakis(methylthio)tetrapropoxycalix[4]arene Acta Crystallographica Section C 53(10) (1997) 1495-1497

176,759

2020-10-21

18:00:00

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2,006,548

11.097

0.005

9.869

0.005

17.325

0.004

90

null

104.9

0.02

90

null

1,833.6

1.3

293

2

293

2

null

6

P 1 21/n 1

-P 2yn

14

[Cu{Ni(CN)~4~}(dien)(mea)].2H~2~O

Tetracyanonickelato(II){N-(2-aminoethyl)-1,2-ethanediamine}(2-aminoeth anol)copper(II)-water(1/2)

- C10 H24 Cu N8 Ni O3 -

- C40 H96 Cu4 N32 Ni4 O12 -

4

1

AB1476

Kurihara, Hiroyuki; Nishikiori, Shin-ichi; Iwamoto, Toschitake

Monodentate Ligation of Tetracyanonickelate(II): (2-Aminoethanol)[N-(2-aminoethyl)-1,2-ethanediamine][tetracyanonickelato(II)]copper(II)‒Water (1/2)

Acta Crystallographica Section C

1,997

53

10

1409

1411

10.1107/S010827019700632X

0.71069

MoKα

null

0.0433

null

0.1087

null

1.102

null

has coordinates

Kurihara, Hiroyuki; Nishikiori, Shin-ichi; Iwamoto, Toschitake Monodentate Ligation of Tetracyanonickelate(II): (2-Aminoethanol)[N-(2-aminoethyl)-1,2-ethanediamine][tetracyanonickelato(II)]copper(II)‒Water (1/2) Acta Crystallographica Section C 53(10) (1997) 1409-1411

199,607

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-08-07 04:53:34 +0300 (Mon, 07 Aug 2017) $ #$Revision: 199607 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/65/2006548.cif $ #-------------------------------------------------------------------...

2,230,176

10.515

0.002

19.195

0.004

14.149

0.003

90

null

103.39

0.03

90

null

2,778.1

1

298

2

298

2

null

5

P 1 21/n 1

-P 2yn

14

Propane-1,2-diaminium tris(pyridine-2,6-dicarboxylato- κ^3^O^2^,N,O^6^)zirconate(IV) trihydrate

- C24 H27 N5 O15 Zr -

- C96 H108 N20 O60 Zr4 -

4

1

XU5157

Pasdar, Hoda; Shakiba, Shahrzad; Aghabozorg, Hossein; Notash, Behrouz

Propane-1,2-diaminium tris(pyridine-2,6-dicarboxylato-κ^3^O^2^,N,O^6^)zirconate(IV) trihydrate

Acta Crystallographica Section E

2,011

67

5

m587

10.1107/S1600536811008488

0.71073

MoKα

0.1282

0.0863

null

0.1882

0.2055

null

1.179

null

has coordinates,has Fobs

Pasdar, Hoda; Shakiba, Shahrzad; Aghabozorg, Hossein; Notash, Behrouz Propane-1,2-diaminium tris(pyridine-2,6-dicarboxylato-κ^3^O^2^,N,O^6^)zirconate(IV) trihydrate Acta Crystallographica Section E 67(5) (2011) m587

301,806

2025-08-19

15:27:02

#------------------------------------------------------------------------------ #$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301806 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/01/2230176.cif $ #-------------------------------------------------------------------...

2,006,549

9.511

0.001

12.754

0.002

10.363

0.001

97.42

0.01

87.45

0.01

106.81

0.01

1,193.2

0.3

293

2

293

2

null

6

P -1

-P 1

2

- C56 H50 Cl2 Fe2 P2 Pt -

1

0.5

AB1485

Otto, Stefanus; Roodt, Andreas

trans-Dichlorobis(ferrocenyldiphenylphosphine-P)platinum(II)‒Benzene (1/2)

Acta Crystallographica Section C

1,997

53

10

1414

1416

10.1107/S0108270197008044

1.54178

CuKα

0.044

0.043

null

0.112

0.109

null

1.05

1.036

null

has coordinates

Otto, Stefanus; Roodt, Andreas trans-Dichlorobis(ferrocenyldiphenylphosphine-P)platinum(II)‒Benzene (1/2) Acta Crystallographica Section C 53(10) (1997) 1414-1416

176,759

2020-10-21

18:00:00

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2,006,550

16.488

0.007

18.221

0.003

11.67

0.008

90

null

103.76

0.04

90

null

3,405

3

173

1

173

1

null

4

P 1 21/c 1

-P 2ybc

14

(±)-(E)-3-(4-hydroxyphenyl)-N-[4-(3-methyl-2,5-dioxo-1- pyrrolidinyl)butyl]-2-propenamide

- C18 H22 N2 O4 -

- C144 H176 N16 O32 -

8

2

AB1491

Linden, Anthony; Kuehne, Paul; Hesse, Manfred

A Putrescine Triamide from Lilium regale

Acta Crystallographica Section C

1,997

53

10

1472

1475

10.1107/S0108270197008457

0.71069

MoKα

0.1559

0.0636

null

0.2236

null

0.1835

null

1.235

null

1.047

null

has coordinates

Linden, Anthony; Kuehne, Paul; Hesse, Manfred A Putrescine Triamide from Lilium regale Acta Crystallographica Section C 53(10) (1997) 1472-1475

301,791

2025-08-18

23:15:29

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2,006,551

8.8144

0.0001

9.1481

0.0001

27.8748

0.0003

90

null

97.827

0.001

90

null

2,226.74

0.04

298

2

298

2

null

3

P 1 21/c 1

-P 2ybc

14

- C31 H22 O3 -

- C124 H88 O12 -

4

1

BK1278

Muneer, M.; Rath, Nigam P.; George, M. V.

Photoproducts Derived from 9-Substituted Dibenzobarrelenes

Acta Crystallographica Section C

1,997

53

10

1475

1478

10.1107/S0108270197006343

0.71073

MoKα

0.084

0.048

null

0.128

0.104

null

1.01

1.07

null

has coordinates

Muneer, M.; Rath, Nigam P.; George, M. V. Photoproducts Derived from 9-Substituted Dibenzobarrelenes Acta Crystallographica Section C 53(10) (1997) 1475-1478

301,791

2025-08-18

23:15:29

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2,006,552

8.7753

0.0001

9.2567

0.0001

28.1011

0.0002

90

null

92.934

0.001

90

null

2,279.67

0.04

298

2

298

2

null

3

P 1 21/c 1

-P 2ybc

14

- C31 H22 O3 -

- C124 H88 O12 -

4

1

BK1278

Muneer, M.; Rath, Nigam P.; George, M. V.

Photoproducts Derived from 9-Substituted Dibenzobarrelenes

Acta Crystallographica Section C

1,997

53

10

1475

1478

10.1107/S0108270197006343

0.71073

MoKα

0.068

0.048

null

0.118

0.107

null

1.06

1.12

null

has coordinates,has disorder

Muneer, M.; Rath, Nigam P.; George, M. V. Photoproducts Derived from 9-Substituted Dibenzobarrelenes Acta Crystallographica Section C 53(10) (1997) 1475-1478

301,791

2025-08-18

23:15:29

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/65/2006552.cif $ #-------------------------------------------------------------------...

2,006,553

8.537

0.001

15.946

0.005

18.756

0.004

90

null

92.53

0.02

90

null

2,550.8

1

293

2

293

2

null

6

P 1 21/n 1

-P 2yn

14

trans-diphenyl[2,6-diacetylpyridinebis(thiosemicarbazone)]tin(IV) chloride

- C23 H24 Cl N7 S2 Sn -

- C92 H96 Cl4 N28 S8 Sn4 -

4

1

BK1300

Moreno, Patricia C.; Francisco, Regina H. P.; Gambardella, M. Teresa do P.; Sousa, Gerimario F. de; Abras, Anuar

trans-[2,6-Diacetylpyridine bis(thiosemicarbazone)(1‒)]diphenyltin(IV) Chloride

Acta Crystallographica Section C

1,997

53

10

1411

1414

10.1107/S0108270197007002

0.71073

MoKα

0.071

0.036

null

0.098

0.078

null

1.109

1.039

null

has coordinates

Moreno, Patricia C.; Francisco, Regina H. P.; Gambardella, M. Teresa do P.; Sousa, Gerimario F. de; Abras, Anuar trans-[2,6-Diacetylpyridine bis(thiosemicarbazone)(1‒)]diphenyltin(IV) Chloride Acta Crystallographica Section C 53(10) (1997) 1411-1414

176,759

2020-10-21

18:00:00

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2,006,554

3.971

0.002

8.904

0.002

31.417

0.002

90

null

92.84

0.03

90

null

1,109.5

0.6

296

null

296

null

3

P 1 21/c 1

-P 2ybc

14

1,4-dimethoxy-2-naphthoic acid

- C13 H12 O4 -

- C13 H13 O4 -

- C52 H52 O16 -

4

1

BK1333

Blackburn, Anthony C.; Gerkin, Roger E.

1,4-Dimethoxy-2-naphthoic Acid

Acta Crystallographica Section C

1,997

53

10

1425

1427

10.1107/S0108270197008299

0.71073

MoKα

null

0.059

null

0.053

null

1.58

null

has coordinates

Blackburn, Anthony C.; Gerkin, Roger E. 1,4-Dimethoxy-2-naphthoic Acid Acta Crystallographica Section C 53(10) (1997) 1425-1427

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/65/2006554.cif $ #-------------------------------------------------------------------...

2,018,088

10.6623

0.0008

25.395

0.002

7.4167

0.0005

90

null

90

null

90

null

2,008.2

0.3

110

null

110

null

5

P n a 21

P 2c -2n

33

Bis(4-methylbenzylammonium) tetrachloridozincate

- C16 H24 Cl4 N2 Zn -

- C64 H96 Cl16 N8 Zn4 -

4

1

WQ3001

Kefi, Riadh; Jeanneau, Erwann; Lefebvre, Frédéric; Ben Nasr, Cherif

Bis(4-methylbenzylammonium) tetrachloridozincate: a new noncentrosymmetric structure characterized by ^13^C CP‒MAS NMR spectroscopy

Acta Crystallographica Section C

2,011

67

5

m126

m129

10.1107/S0108270111012297

0.7107

MoKα

0.0762

0.066

null

0.143

0.127

0.143

null

0.924

null

has coordinates,has Fobs

Kefi, Riadh; Jeanneau, Erwann; Lefebvre, Frédéric; Ben Nasr, Cherif Bis(4-methylbenzylammonium) tetrachloridozincate: a new noncentrosymmetric structure characterized by ^13^C CP‒MAS NMR spectroscopy Acta Crystallographica Section C 67(5) (2011) m126-m129

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/2/01/80/2018088.cif $ #-------------------------------------------------------------------...

2,006,555

12.5744

0.0004

7.4608

0.0002

14.4604

0.0004

90

null

90.304

0.001

90

null

1,356.58

0.07

200

2

200

2

null

5

P 1 21/c 1

-P 2ybc

14

3-cyano-6-(4'-methoxyphenyl)-5-methyl-4-methylthio-2-pyranone

- C15 H13 N O3 S -

- C60 H52 N4 O12 S4 -

4

1

BM1145

Azim, Abul; Parmar, Virinder S.; Errington, William

3-Cyano-6-(4-methoxyphenyl)-5-methyl-4-methylthio-2H-pyran-2-one

Acta Crystallographica Section C

1,997

53

10

1436

1438

10.1107/S0108270197007336

0.71073

MoKα

0.0635

0.0485

null

0.11

0.1004

null

1.177

1.184

null

has coordinates

Azim, Abul; Parmar, Virinder S.; Errington, William 3-Cyano-6-(4-methoxyphenyl)-5-methyl-4-methylthio-2H-pyran-2-one Acta Crystallographica Section C 53(10) (1997) 1436-1438

301,791

2025-08-18

23:15:29

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2,006,556

29.0856

0.0013

9.7417

0.0004

21.114

0.0009

90

null

126.853

0.001

90

null

4,787.1

0.4

180

2

180

2

null

5

C 1 2/c 1

-C 2yc

15

Aquatetrachlorotris(tetrahydrofuran)thorium(IV). Tetrahydrofuran Solvate.

- C16 H34 Cl4 O5 Th -

- C128 H272 Cl32 O40 Th8 -

8

1

BM1151

Spry, Marcus P; Errington, William; Willey, Gerald R

Aquatetrachlorotris(tetrahydrofuran-O)thorium(IV) Tetrahydrofuran Solvate (1/1)

Acta Crystallographica Section C

1,997

53

10

1388

1390

10.1107/S0108270197008378

0.71073

MoKα

0.0358

0.0239

null

0.0498

0.0461

null

1.026

1.049

null

has coordinates

Spry, Marcus P; Errington, William; Willey, Gerald R Aquatetrachlorotris(tetrahydrofuran-O)thorium(IV) Tetrahydrofuran Solvate (1/1) Acta Crystallographica Section C 53(10) (1997) 1388-1390

176,759

2020-10-21

18:00:00

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2,006,557

4.939

0.002

20.11

0.006

10.003

0.003

90

null

98.85

0.02

90

null

981.7

0.6

293

2

293

2

null

4

P 1 21/c 1

-P 2ybc

14

Author name: bis(aqua)bis(1-methoxy-4-carbomethoxy-1,3-butanedionato-O,O')zinc(II)

- C14 H22 O12 Zn -

- C28 H44 O24 Zn2 -

2

0.5

BM1165

John Fawcett; Raymond D. W. Kemmitt; David R. Russell; Kuldip Singh

Diaquabis(dimethyl 3-oxopentanedioato-O^1^,O^3^)zinc(II)

Acta Crystallographica Section C

1,997

53

10

1422

1424

10.1107/S010827019700838X

0.71073

MoKα

0.055

0.034

null

0.092

0.081

null

1.061

1.083

null

has coordinates

John Fawcett; Raymond D. W. Kemmitt; David R. Russell; Kuldip Singh Diaquabis(dimethyl 3-oxopentanedioato-O^1^,O^3^)zinc(II) Acta Crystallographica Section C 53(10) (1997) 1422-1424

301,791

2025-08-18

23:15:29

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/65/2006557.cif $ #-------------------------------------------------------------------...

2,006,558

23.0801

0.0002

5.51742

0.00006

19.5747

0.0002

90

null

122.93

0.0004

90

null

2,092.21

0.04

293

null

293

null

5

C 1 2/c 1

-C 2yc

15

bis-methylammonium heptamolybdate(VI)

- C2 H12 Mo7 N2 O22 -

- C2 Mo7 N2 O22 -

- C8 Mo28 N8 O88 -

4

0.5

BR1181

Zavalij, Peter Y.; Whittingham, M. Stanley

The Layered Methylammonium Molybdate (NH~3~CH~3~)~2~[Mo~7~O~22~] from X-ray Powder Data

Acta Crystallographica Section C

1,997

53

10

1374

1376

10.1107/S010827019700601X

1.54056

CuKα~1~

null

0.038

null

2.47

null

has coordinates

Zavalij, Peter Y.; Whittingham, M. Stanley The Layered Methylammonium Molybdate (NH~3~CH~3~)~2~[Mo~7~O~22~] from X-ray Powder Data Acta Crystallographica Section C 53(10) (1997) 1374-1376

176,435

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/65/2006558.cif $ #-------------------------------------------------------------------...

2,006,559

9.507

0.007

11.989

0.007

14.874

0.009

90

null

92.31

0.06

90

null

1,694

1.9

296.2

null

296.2

null

6

P 1 21/n 1

-P 2yn

14

- C9 H9 Br3 Mo N3 S3 -

- C9 H6 Br3 Mo N3 S3 -

- C36 H24 Br12 Mo4 N12 S12 -

4

1

BR1185

James, Michael; Kawaguchi, Hiroyuki; Tatsumi, Kazuyuki

trans-Tribromotris(1,3-thiazole-N)molybdenum(III)

Acta Crystallographica Section C

1,997

53

10

1391

1393

10.1107/S0108270197007129

0.7107

MoKα

0.049

null

0.061

null

2.346

null

has coordinates

James, Michael; Kawaguchi, Hiroyuki; Tatsumi, Kazuyuki trans-Tribromotris(1,3-thiazole-N)molybdenum(III) Acta Crystallographica Section C 53(10) (1997) 1391-1393

176,435

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/65/2006559.cif $ #-------------------------------------------------------------------...

2,006,560

9.127

0.001

10.522

0.001

37.195

0.002

90

null

90

null

90

null

3,572

0.6

223

2

223

2

null

4

P 21 21 21

P 2ac 2ab

19

Tyr-D-Tic

tyrosyl-D-tetrahydroisoquinoline-3-carboxylic acid

- C19 H23 N2 O5.5 -

- C152 H184 N16 O44 -

8

2

BS1028

Deschamps, Jeffrey R.; Flippen-Anderson, Judith L.; Christi Moore; Robert Cudney; George, Clifford

Tyrosinium-D-tetrahydroisoquinoline-3-carboxylate 1.5-Hydrate and Tyrosyl-D-tetrahydroisoquinoline-3-carboxamide Hydrate

Acta Crystallographica Section C

1,997

53

10

1478

1482

10.1107/S0108270197006975

1.54178

CuKα

0.0529

0.0458

null

0.1267

0.1207

null

1.063

1.083

null

has coordinates

Deschamps, Jeffrey R.; Flippen-Anderson, Judith L.; Christi Moore; Robert Cudney; George, Clifford Tyrosinium-D-tetrahydroisoquinoline-3-carboxylate 1.5-Hydrate and Tyrosyl-D-tetrahydroisoquinoline-3-carboxamide Hydrate Acta Crystallographica Section C 53(10) (1997) 1478-1482

301,791

2025-08-18

23:15:29

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/65/2006560.cif $ #-------------------------------------------------------------------...

2,006,561

8.981

0.001

10.597

null

9.703

0.001

90

null

98.76

0.01

90

null

912.68

0.14

223

2

223

2

null

4

P 1 21 1

P 2yb

4

Tyr-D-Tic-NH2

tyrosyl-D-tetrahydroisoquinoline-3-carboxamide

- C19 H23 N3 O4 -

- C38 H46 N6 O8 -

2

1

BS1028

Deschamps, Jeffrey R.; Flippen-Anderson, Judith L.; Christi Moore; Robert Cudney; George, Clifford

Tyrosinium-D-tetrahydroisoquinoline-3-carboxylate 1.5-Hydrate and Tyrosyl-D-tetrahydroisoquinoline-3-carboxamide Hydrate

Acta Crystallographica Section C

1,997

53

10

1478

1482

10.1107/S0108270197006975

1.54178

CuKα

0.0536

0.0484

null

0.1408

0.1339

null

1.044

1.049

null

has coordinates

Deschamps, Jeffrey R.; Flippen-Anderson, Judith L.; Christi Moore; Robert Cudney; George, Clifford Tyrosinium-D-tetrahydroisoquinoline-3-carboxylate 1.5-Hydrate and Tyrosyl-D-tetrahydroisoquinoline-3-carboxamide Hydrate Acta Crystallographica Section C 53(10) (1997) 1478-1482

301,791

2025-08-18

23:15:29

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/65/2006561.cif $ #-------------------------------------------------------------------...

2,230,175

7.4932

0.0002

9.2679

0.0002

36.9165

0.0008

90

null

90

null

90

null

2,563.71

0.1

173

2

173

2

null

5

P 21 21 21

P 2ac 2ab

19

(S)-cyano(3-phenoxyphenyl)methyl (Z)-(1R,3S)-2,2-dimethyl-3-{2-[2,2,2-trifluoro-1- (trifluoromethyl)ethoxycarbonyl]vinyl}cyclopropane-1-carboxylate

- C26 H21 F6 N O5 -

- C104 H84 F24 N4 O20 -

4

1

WN2431

Yang, Hojin; Kim, Tae Ho; Park, Ki-Min; Kim, Jineun

Acrinathrin: (S)-cyano(3-phenoxyphenyl)methyl (Z)-(1R,3S)-2,2-dimethyl-3-{2-[2,2,2-trifluoro-1-(trifluoromethyl)ethoxycarbonyl]vinyl}cyclopropane-1-carboxylate

Acta Crystallographica Section E

2,011

67

5

o1275

10.1107/S1600536811014760

0.71073

MoKα

0.0613

0.0428

null

0.091

0.0987

null

1.057

null

has coordinates,has Fobs

Yang, Hojin; Kim, Tae Ho; Park, Ki-Min; Kim, Jineun Acrinathrin: (S)-cyano(3-phenoxyphenyl)methyl (Z)-(1R,3S)-2,2-dimethyl-3-{2-[2,2,2-trifluoro-1-(trifluoromethyl)ethoxycarbonyl]vinyl}cyclopropane-1-carboxylate Acta Crystallographica Section E 67(5) (2011) o1275

301,806

2025-08-19

15:27:02

#------------------------------------------------------------------------------ #$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301806 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/01/2230175.cif $ #-------------------------------------------------------------------...

2,006,562

11.799

0.002

8.155

0.002

25.063

0.003

90

null

91.11

0.01

90

null

2,411.1

0.8

297

2

297

2

null

4

P 1 21/c 1

-P 2ybc

14

- C46 H70 N4 O12 -

- C92 H140 N8 O24 -

2

0.5

CF1074

Griesar, Klaus; Haase, Wolfgang; Svoboda, Ingrid; Fuess, Hartmut

A Nitroxide Tetraradical Exhibiting Ferromagnetic Coupling

Acta Crystallographica Section C

1,997

53

10

1488

1490

10.1107/S0108270197002461

0.71069

MoKα

0.0655

0.0374

null

0.1269

0.104

null

0.861

0.851

null

has coordinates

Griesar, Klaus; Haase, Wolfgang; Svoboda, Ingrid; Fuess, Hartmut A Nitroxide Tetraradical Exhibiting Ferromagnetic Coupling Acta Crystallographica Section C 53(10) (1997) 1488-1490

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/65/2006562.cif $ #-------------------------------------------------------------------...

2,006,563

9.89

0.003

10.437

0.003

14.79

0.004

90

null

97.75

0.02

90

null

1,512.7

0.8

273

2

273

2

null

4

P 1 21/n 1

-P 2yn

14

trans 1-hydroxy-2,6-diphenyl-4-piperidone oxime ?

- C17 H18 N2 O2 -

- C68 H72 N8 O8 -

4

1

CF1113

Díaz, Eduardo; Barrios, Héctor; Toscano, Rubén A.

Three trans-2,6-Diaryl Derivatives of Oximes of N-Hydroxy-4-piperidone

Acta Crystallographica Section C

1,997

53

10

1468

1471

10.1107/S0108270197002953

1.54178

CuKα

0.0712

0.0501

null

0.1383

0.128

null

1.058

1.188

null

has coordinates

Díaz, Eduardo; Barrios, Héctor; Toscano, Rubén A. Three trans-2,6-Diaryl Derivatives of Oximes of N-Hydroxy-4-piperidone Acta Crystallographica Section C 53(10) (1997) 1468-1471

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/65/2006563.cif $ #-------------------------------------------------------------------...

2,006,564

10.169

0.005

14.129

0.008

10.039

0.006

90

null

90.67

0.04

90

null

1,442.3

1.4

293

null

293

null

4

P 1 21/c 1

-P 2ybc

14

trans-1-hydroxy-2,6-bis(1-methyl-2-pyrrolyl)-4-piperidone oxime

- C15 H20 N4 O2 -

- C60 H80 N16 O8 -

4

1

CF1113

Díaz, Eduardo; Barrios, Héctor; Toscano, Rubén A.

Three trans-2,6-Diaryl Derivatives of Oximes of N-Hydroxy-4-piperidone

Acta Crystallographica Section C

1,997

53

10

1468

1471

10.1107/S0108270197002953

1.54178

CuKα

0.0913

0.0898

null

0.2585

0.2555

null

1.106

1.13

null

has coordinates

Díaz, Eduardo; Barrios, Héctor; Toscano, Rubén A. Three trans-2,6-Diaryl Derivatives of Oximes of N-Hydroxy-4-piperidone Acta Crystallographica Section C 53(10) (1997) 1468-1471

301,791

2025-08-18

23:15:29

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/65/2006564.cif $ #-------------------------------------------------------------------...

2,006,565

9.479

0.003

10.229

0.003

8.625

0.002

108.98

0.02

112.91

0.02

91.69

0.02

716.6

0.4

293

2

293

2

null

5

P -1

-P 1

2

trans 1-hydroxy-2,6-bis(2-thiophenyl)-4-piperidone oxime

- C13 H14 N2 O2 S2 -

- C26 H28 N4 O4 S4 -

2

1

CF1113

Díaz, Eduardo; Barrios, Héctor; Toscano, Rubén A.

Three trans-2,6-Diaryl Derivatives of Oximes of N-Hydroxy-4-piperidone

Acta Crystallographica Section C

1,997

53

10

1468

1471

10.1107/S0108270197002953

1.54178

CuKα

0.0717

0.0696

null

0.1938

0.1909

null

1.064

1.1

null

has coordinates,has disorder

Díaz, Eduardo; Barrios, Héctor; Toscano, Rubén A. Three trans-2,6-Diaryl Derivatives of Oximes of N-Hydroxy-4-piperidone Acta Crystallographica Section C 53(10) (1997) 1468-1471

301,791

2025-08-18

23:15:29

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/65/2006565.cif $ #-------------------------------------------------------------------...

2,006,566

7.8937

0.0006

10.808

0.002

19.523

0.002

90

null

90

null

90

null

1,665.6

0.4

298

2

298

null

3

P 21 21 21

P 2ac 2ab

19

6α,7β-dihydroxyvouacapan-17β-lactone

- C20 H26 O4 -

- C80 H104 O16 -

4

1

CF1155

Abrahão-Junior, Odonirio; Gambardella, Maria Teresa do P.; Ruggiero, Silvana Guilardi; Sacramento, Tania Marcia; Stefani, Guglielmo Marconi; Pilo-Veloso, Dorila

6α-Hydroxyvouacapan-7β,17β-lactone

Acta Crystallographica Section C

1,997

53

10

1508

1510

10.1107/S0108270197006057

0.71073

MoKα

0.2099

0.0565

null

0.1795

0.1099

null

1.169

1.109

null

has coordinates

Abrahão-Junior, Odonirio; Gambardella, Maria Teresa do P.; Ruggiero, Silvana Guilardi; Sacramento, Tania Marcia; Stefani, Guglielmo Marconi; Pilo-Veloso, Dorila 6α-Hydroxyvouacapan-7β,17β-lactone Acta Crystallographica Section C 53(10) (1997) 1508-1510

301,791

2025-08-18

23:15:29

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/65/2006566.cif $ #-------------------------------------------------------------------...

2,230,174

9.1569

0.0001

9.907

0.0002

18.7478

0.0003

90

null

92.04

0.001

90

null

1,699.67

0.05

100

0.1

100

0.1

null

5

P 1 21/c 1

-P 2ybc

14

(E)-3-(2-{2-[1-(3-Hydroxyphenyl)ethylidene]hydrazinyl}-1,3- thiazol-4-yl)-2H-chromen-2-one

- C20 H15 N3 O3 S -

- C80 H60 N12 O12 S4 -

4

1

WN2428

Arshad, Afsheen; Osman, Hasnah; Lam, Chan Kit; Hemamalini, Madhukar; Fun, Hoong-Kun

(E)-3-(2-{2-[1-(3-Hydroxyphenyl)ethylidene]hydrazinyl}-1,3-thiazol-4-yl)-2H-chromen-2-one

Acta Crystallographica Section E

2,011

67

5

o1072

o1073

10.1107/S1600536811012189

0.71073

MoKα

0.0494

0.0412

null

0.0995

0.1045

null

1.069

null

has coordinates,has disorder,has Fobs

Arshad, Afsheen; Osman, Hasnah; Lam, Chan Kit; Hemamalini, Madhukar; Fun, Hoong-Kun (E)-3-(2-{2-[1-(3-Hydroxyphenyl)ethylidene]hydrazinyl}-1,3-thiazol-4-yl)-2H-chromen-2-one Acta Crystallographica Section E 67(5) (2011) o1072-o1073

301,806

2025-08-19

15:27:02

#------------------------------------------------------------------------------ #$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301806 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/01/2230174.cif $ #-------------------------------------------------------------------...

2,006,567

12.2981

0.001

12.873

0.003

12.508

0.003

90

null

97.358

0.01

90

null

1,963.9

0.7

180

2

180

2

null

6

P 1 21/c 1

-P 2ybc

14

- C15 H20 Cl3 Fe N4 O4 -

- C60 H80 Cl12 Fe4 N16 O16 -

4

1

CF1163

Alcock, Nathaniel W.; Rybak-Akimova, Elena V.; Busch, Daryle H.

A cis-Octahedral Dichloro Complex of Fe^III^ with a Tetradentate Dipyridyl‒Diamino Ligand

Acta Crystallographica Section C

1,997

53

10

1385

1387

10.1107/S0108270197004459

0.71073

MoKα

0.0748

0.0476

null

0.1137

0.1001

null

1.032

1.062

null

has coordinates

Alcock, Nathaniel W.; Rybak-Akimova, Elena V.; Busch, Daryle H. A cis-Octahedral Dichloro Complex of Fe^III^ with a Tetradentate Dipyridyl‒Diamino Ligand Acta Crystallographica Section C 53(10) (1997) 1385-1387

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/65/2006567.cif $ #-------------------------------------------------------------------...

2,006,568

6.681

0.003

9.093

0.001

16.067

0.003

70.89

0.01

75.48

0.03

83.96

0.04

892.5

0.5

293

null

293

null

4

P -1

-P 1

2

2-Isobutyl-4-oxo-5,5-dimethyltetrahydropyran

- C17 H24 N4 O5 -

- C34 H48 N8 O10 -

2

1

CF1165

Lane, Alexandra L.; Rossiter, Karen J.; Sell, Charles S.; Watkin, David J.

The Novel Fragrance 2-Isobutyl-4-oxo-5,5-dimethyltetrahydropyran as its 2,4-Dinitrophenylhydrazone Derivative

Acta Crystallographica Section C

1,997

53

10

1444

1445

10.1107/S0108270197008470

1.5418

CuKα

null

0.055

null

0.1771

null

0.741

null

has coordinates

Lane, Alexandra L.; Rossiter, Karen J.; Sell, Charles S.; Watkin, David J. The Novel Fragrance 2-Isobutyl-4-oxo-5,5-dimethyltetrahydropyran as its 2,4-Dinitrophenylhydrazone Derivative Acta Crystallographica Section C 53(10) (1997) 1444-1445

301,791

2025-08-18

23:15:29

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/65/2006568.cif $ #-------------------------------------------------------------------...

2,006,569

30.404

0.004

10.276

0.001

18.742

0.003

90

null

108.92

0.01

90

null

5,539.2

1.3

163

null

5

C 1 c 1

C -2yc

9

- C34 H26 O3 P Rh -

- C272 H208 O24 P8 Rh8 -

8

2

CF1166

Lamprecht, Delanie; Lamprecht, Gert J.; Botha, J. Mattheus; Umakoshi, Keisuke; Sasaki, Yoichi

Carbonyl(1,3-diphenyl-1,3-propanedionato-O,O')(triphenylphosphine-P)rhodium(I)

Acta Crystallographica Section C

1,997

53

10

1403

1405

10.1107/S0108270197007439

0.71073

MoKα

null

0.035

null

0.043

null

2.564

null

has coordinates

Lamprecht, Delanie; Lamprecht, Gert J.; Botha, J. Mattheus; Umakoshi, Keisuke; Sasaki, Yoichi Carbonyl(1,3-diphenyl-1,3-propanedionato-O,O')(triphenylphosphine-P)rhodium(I) Acta Crystallographica Section C 53(10) (1997) 1403-1405

176,432

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176432 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/65/2006569.cif $ #-------------------------------------------------------------------...

2,006,570

9.1496

0.0008

8.5119

0.0006

19.9057

0.0017

90

null

98.99

0.002

90

null

1,531.2

0.2

220

2

220

2

null

3

P 1 21/n 1

-P 2yn

14

1-(3',4'-Dimethoxyphenyl)-3-(3-methylphenyl)prop-2-enone

- C18 H18 O3 -

- C72 H72 O12 -

4

1

CF1168

Sharma, Nawal K.; Kumar, Rajesh; Parmar, Virinder S.; Errington, William

1-(3,4-Dimethoxyphenyl)-3-(3-methylphenyl)prop-2-en-1-one

Acta Crystallographica Section C

1,997

53

10

1438

1440

10.1107/S0108270197006677

0.71073

MoKα

0.0609

0.0471

null

0.1283

0.1149

null

1.066

1.073

null

has coordinates

Sharma, Nawal K.; Kumar, Rajesh; Parmar, Virinder S.; Errington, William 1-(3,4-Dimethoxyphenyl)-3-(3-methylphenyl)prop-2-en-1-one Acta Crystallographica Section C 53(10) (1997) 1438-1440

301,791

2025-08-18

23:15:29

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/65/2006570.cif $ #-------------------------------------------------------------------...

2,006,571

9.1163

0.0009

16.05

0.002

8.705

0.0008

90

null

99.608

0.002

90

null

1,255.8

0.2

230

2

230

2

null

5

P 1 21/c 1

-P 2ybc

14

3-cyano-6-(2'-methoxyphenyl)-4-methylthio-2-pyranone

- C14 H11 N O3 S -

- C56 H44 N4 O12 S4 -

4

1

CF1174

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

3-Cyano-6-(2-methoxyphenyl)-4-methylthio-2H-pyran-2-one

Acta Crystallographica Section C

1,997

53

10

1442

1444

10.1107/S0108270197007294

0.71073

MoKα

0.06

0.0438

null

0.1232

0.1124

null

0.992

1.049

null

has coordinates,has Fobs

Malhotra, Sanjay; Parmar, Virinder S; Errington, William 3-Cyano-6-(2-methoxyphenyl)-4-methylthio-2H-pyran-2-one Acta Crystallographica Section C 53(10) (1997) 1442-1444

301,791

2025-08-18

23:15:29

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/65/2006571.cif $ #-------------------------------------------------------------------...

2,230,173

9.2498

0.0005

13.8999

0.0007

14.2258

0.0007

90

null

90.345

0.001

90

null

1,829

0.16

90

2

90

2

null

4

P 1 21/n 1

-P 2yn

14

Ethyl 1-benzyl-1,2,3,3a,4,10b-hexahydropyrrolo[2',3':3,4]pyrrolo[1,2- a]benzimidazole-2-carboxylate

ethyl 11-benzyl-1,8,11-triazatetracyclo[7.6.0.0^2,7^.0^10,14^]pentadeca- 2(7),3,5,8-tetraene-12-carboxylate

- C22 H23 N3 O2 -

- C88 H92 N12 O8 -

4

1

WN2427

Meng, Liping; Fettinger, James C.; Kurth, Mark J.

Ethyl 1-benzyl-1,2,3,3a,4,10b-hexahydropyrrolo[2',3':3,4]pyrrolo[1,2-a]benzimidazole-2-carboxylate

Acta Crystallographica Section E

2,011

67

5

o1214

10.1107/S1600536811014292

0.71073

MoKα

0.0569

0.0371

null

0.0859

0.0951

null

1.088

null

has coordinates,has Fobs

Meng, Liping; Fettinger, James C.; Kurth, Mark J. Ethyl 1-benzyl-1,2,3,3a,4,10b-hexahydropyrrolo[2',3':3,4]pyrrolo[1,2-a]benzimidazole-2-carboxylate Acta Crystallographica Section E 67(5) (2011) o1214

301,806

2025-08-19

15:27:02

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2,006,572

7.726

0.002

10.22

0.002

15.169

0.003

90

null

99.67

0.02

90

null

1,180.7

0.5

173

2

173

2

null

5

P 1 21/n 1

-P 2yn

14

- C8 H16 I Li O4 -

- C32 H64 I4 Li4 O16 -

4

1

CF1181

Eaborn, Colin; Farook, Adam; Hitchcock, Peter B.; Smith, J. David

catena-Poly[[(1,4-dioxane-O^1^)iodolithium]-μ-(1,4-dioxane-O^1^:O^4^)]

Acta Crystallographica Section C

1,997

53

10

1387

1388

10.1107/S0108270197008482

0.71073

MoKα

0.0511

0.0335

null

0.0842

0.0757

null

1.005

1.038

null

has coordinates

Eaborn, Colin; Farook, Adam; Hitchcock, Peter B.; Smith, J. David catena-Poly[[(1,4-dioxane-O^1^)iodolithium]-μ-(1,4-dioxane-O^1^:O^4^)] Acta Crystallographica Section C 53(10) (1997) 1387-1388

301,791

2025-08-18

23:15:29

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2,006,573

8.5946

0.0006

18.775

0.002

9.0289

0.0006

90

null

91.58

0.04

90

null

1,456.4

0.2

220

2

220

2

null

3

P 1 21/c 1

-P 2ybc

14

1-(2-Acetoxy-4-methyoxyphenyl)-2-phenylethanone

- C17 H16 O4 -

- C68 H64 O16 -

4

1

CF1183

Pati, Hari N.; Parmar, Virinder S.; Errington, William

1-(2-Acetoxy-4-methoxyphenyl)-2-phenylethanone

Acta Crystallographica Section C

1,997

53

10

1440

1442

10.1107/S0108270197007567

0.71073

MoKα

0.0524

0.0393

null

0.1006

0.0915

null

1.121

1.142

null

has coordinates

Pati, Hari N.; Parmar, Virinder S.; Errington, William 1-(2-Acetoxy-4-methoxyphenyl)-2-phenylethanone Acta Crystallographica Section C 53(10) (1997) 1440-1442

301,791

2025-08-18

23:15:29

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2,006,574

22.01

0.01

9.573

0.003

25.895

0.004

90

null

96.37

0.02

90

null

5,422

3

296.2

null

296.2

null

6

C 1 2/c 1

-C 2yc

15

- C28 H62 Cs4 Dy2 N6 O33 -

- C28 H62 Cs4 Dy2 N6 O32.5 -

- C112 H248 Cs16 Dy8 N24 O130 -

4

0.5

FG1240

Sakagami, Narumi; Homma, Jun-ichi; Konno, Takumi; Okamoto, Ken-ichi

Tetracaesium Bis(diethylenetriamine-N,N,N',N'',N''-pentacetato)didysprosate(III) Tridecahydrate

Acta Crystallographica Section C

1,997

53

10

1378

1381

10.1107/S0108270197006021

0.7107

MoKα

null

0.0329

null

0.0372

null

1.262

null

has coordinates

Sakagami, Narumi; Homma, Jun-ichi; Konno, Takumi; Okamoto, Ken-ichi Tetracaesium Bis(diethylenetriamine-N,N,N',N'',N''-pentacetato)didysprosate(III) Tridecahydrate Acta Crystallographica Section C 53(10) (1997) 1378-1381

176,435

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/65/2006574.cif $ #-------------------------------------------------------------------...

2,006,575

6.9449

0.0005

10.5817

0.0005

17.8569

0.0008

74.196

0.004

78.952

0.004

73.558

0.004

1,201.68

0.12

293

null

293

null

3

P -1

-P 1

2

5-Formyl-1,1,8,8-tetrakis(methoxycarbonyl)-(4E,11Z,13E)- cyclopentadeca-4,11,13-triene

- C24 H32 O9 -

- C48 H64 O18 -

2

1

FG1245

Drouin, Marc; Hall, Dennis G.; Caillé, Alain-Sébastien; Pierre Deslongchamps

Unique trans-syn-cis [6.6.7] Tricycle Derivative from Transannular Diels–Alder Contraction of a Model 15-Membered trans-cis-cis Macrocyclic Triene

Acta Crystallographica Section C

1,997

53

10

1490

1493

10.1107/S0108270197005635

1.54184

CopperKα

0.067

0.046

null

0.068

0.061

null

1.41

null

has coordinates

Drouin, Marc; Hall, Dennis G.; Caillé, Alain-Sébastien; Pierre Deslongchamps Unique trans-syn-cis [6.6.7] Tricycle Derivative from Transannular Diels–Alder Contraction of a Model 15-Membered trans-cis-cis Macrocyclic Triene Acta Crystallographica Section C 53(10) (1997) 1490-14...

301,791

2025-08-18

23:15:29

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/65/2006575.cif $ #-------------------------------------------------------------------...

2,230,172

9.979

0.005

10.577

0.006

12.104

0.004

87.728

0.005

81.196

0.003

69.995

0.005

1,186.2

1

295

2

295

2

null

6

P -1

-P 1

2

(Benzyl phenyl sulfoxide-κO)dichloridodiphenyltin(IV)

- C25 H22 Cl2 O S Sn -

- C50 H44 Cl4 O2 S2 Sn2 -

2

1

WM2481

Tan, Guo-Xia; Zhang, Chang-Fa; Liu, Xi-Cheng

(Benzyl phenyl sulfoxide-κO)dichloridodiphenyltin(IV)

Acta Crystallographica Section E

2,011

67

5

m632

10.1107/S1600536811014474

0.71069

MoKα

0.0343

0.025

null

0.0526

0.0559

null

1.01

null

has coordinates,has Fobs

Tan, Guo-Xia; Zhang, Chang-Fa; Liu, Xi-Cheng (Benzyl phenyl sulfoxide-κO)dichloridodiphenyltin(IV) Acta Crystallographica Section E 67(5) (2011) m632

176,798

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-21 02:03:34 +0200 (Sun, 21 Feb 2016) $ #$Revision: 176798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/01/2230172.cif $ #-------------------------------------------------------------------...

2,006,576

13.549

0.002

15.413

0.002

24.49

0.002

79.073

0.011

75.749

0.009

70.254

0.012

4,633.6

1.1

293

2

193

2

null

4

P -1

-P 1

2

rac-1S,2S,7R,10R)-(8Z)-1-p-bromobenzoyl-5,5,13,13-tetrakis(methoxycarbonyl) tricyclo[8.5.0.0^2,7^]pentadec-8-ene.

- C31.51 H38.52 Br O10.25 -

- C31.506 H38.5197 Br O10.253 -

- C189.036 H231.118 Br6 O61.518 -

6

3

FG1245

Drouin, Marc; Hall, Dennis G.; Caillé, Alain-Sébastien; Pierre Deslongchamps

Unique trans-syn-cis [6.6.7] Tricycle Derivative from Transannular Diels‒Alder Contraction of a Model 15-Membered trans-cis-cis Macrocyclic Triene

Acta Crystallographica Section C

1,997

53

10

1490

1493

10.1107/S0108270197005635

1.54184

CopperKα

0.0845

0.0614

null

0.1753

0.1568

null

1.067

1.178

null

has coordinates,has disorder

Drouin, Marc; Hall, Dennis G.; Caillé, Alain-Sébastien; Pierre Deslongchamps Unique trans-syn-cis [6.6.7] Tricycle Derivative from Transannular Diels‒Alder Contraction of a Model 15-Membered trans-cis-cis Macrocyclic Triene Acta Crystallographica Section C 53(10) (1997) 1490-14...

176,435

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/65/2006576.cif $ #-------------------------------------------------------------------...

2,006,577

9.504

0.003

18.536

0.005

10.305

0.003

90

null

112.76

0.02

90

null

1,674

0.9

295

2

293

2

null

6

P 1 21 1

P 2yb

4

[hydridotris(pyrazolyl)borato]-bis[1,1-diphenylhydrazido(2-)]chloromo- lybdenum(VI)

- C33 H30 B Cl Mo N10 -

- C66 H60 B2 Cl2 Mo2 N20 -

2

1

FG1296

Carolina Manzur; David Carrillo; Daphne Boys

Chlorobis[1,1'-diphenylhydrazido(2‒)-N^2^][hydridotris(pyrazolyl-N^2^)borato]molybdenum(VI)

Acta Crystallographica Section C

1,997

53

10

1401

1403

10.1107/S0108270197007452

0.71073

MoKα

0.037

0.03

null

0.075

0.073

null

1.008

1.05

null

has coordinates

Carolina Manzur; David Carrillo; Daphne Boys Chlorobis[1,1'-diphenylhydrazido(2‒)-N^2^][hydridotris(pyrazolyl-N^2^)borato]molybdenum(VI) Acta Crystallographica Section C 53(10) (1997) 1401-1403

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/65/2006577.cif $ #-------------------------------------------------------------------...

2,230,171

13.427

0.003

13.3935

0.0016

13.318

0.003

90

null

100.102

0.013

90

null

2,357.9

0.8

293

2

293

2

null

3

P 1 21/c 1

-P 2ybc

14

hexadecapraseodymium henicosamolybdenum hexapentacontaoxide

- Mo21 O56 Pr16 -

- Mo42 O112 Pr32 -

2

0.5

WM2479

Gougeon, Patrick; Gall, Philippe

Pr~16~Mo~21~O~56~

Acta Crystallographica Section E

2,011

67

5

i34

i35

10.1107/S1600536811015649

0.71073

MoKα

0.0358

0.0247

null

0.0464

0.0491

null

1.13

null

has coordinates,has Fobs

Gougeon, Patrick; Gall, Philippe Pr~16~Mo~21~O~56~ Acta Crystallographica Section E 67(5) (2011) i34-i35

176,798

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-21 02:03:34 +0200 (Sun, 21 Feb 2016) $ #$Revision: 176798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/01/2230171.cif $ #-------------------------------------------------------------------...

2,006,578

7.921

0.0009

10.668

0.001

10.728

0.001

90

null

94.4

0.01

90

null

903.86

0.16

293

2

null

4

P 1 21 1

P 2yb

4

- C20 H25 Br O4 -

- C40 H50 Br2 O8 -

2

1

FG1310

Zukerman-Schpector, J.; Castellano, E.E.; Ceschi, Marco Antonio; Brocksom, Timothy John; Wikaira, Jan L.

Intermediates in the Synthesis of Daphniphyllum Alkaloids. I. A Tetracyclic Oxygen Analogue

Acta Crystallographica Section C

1,997

53

10

1482

1483

10.1107/S0108270197005222

0.71073

MoKα

0.092

0.042

null

0.117

null

0.098

null

1.077

null

1.159

null

has coordinates

Zukerman-Schpector, J.; Castellano, E.E.; Ceschi, Marco Antonio; Brocksom, Timothy John; Wikaira, Jan L. Intermediates in the Synthesis of Daphniphyllum Alkaloids. I. A Tetracyclic Oxygen Analogue Acta Crystallographica Section C 53(10) (1997) 1482-1483

301,791

2025-08-18

23:15:29

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/65/2006578.cif $ #-------------------------------------------------------------------...

2,006,579

9.911

0.0015

5.404

0.002

10.0873

0.0013

90

null

106.347

0.01

90

null

518.4

0.2

296

null

296

null

4

P 1 21 1

P 2yb

4

1-(2-deoxy-α-D-erythro-pentopyranosyl)-1-(R),2-(R)-4-methyl-4- triazolidine-3,5-dione

- C8 H13 N3 O5 -

- C16 H26 N6 O10 -

2

1

FG1326

Meyers, Cal Y.; Hou, Yuqing; Kolb, Vera M.; Robinson, Paul D.

(1R,2R)-4-Methylurazole-α-D-pyranosyl-2-deoxyriboside from Reaction of 4-Methylurazole with 2-Deoxy-D-ribose

Acta Crystallographica Section C

1,997

53

10

1502

1505

10.1107/S0108270197007476

0.71069

MoKα

0.0728

0.0383

null

0.12

null

0.1037

null

1.046

1.111

null

has coordinates

Meyers, Cal Y.; Hou, Yuqing; Kolb, Vera M.; Robinson, Paul D. (1R,2R)-4-Methylurazole-α-D-pyranosyl-2-deoxyriboside from Reaction of 4-Methylurazole with 2-Deoxy-D-ribose Acta Crystallographica Section C 53(10) (1997) 1502-1505

301,791

2025-08-18

23:15:29

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/65/2006579.cif $ #-------------------------------------------------------------------...

2,006,580

11.448

0.002

12.098

0.002

19.305

0.003

90

null

106.3

0.02

90

null

2,566.2

0.8

143

2

143

2

null

6

P 1 21/c 1

-P 2ybc

14

10-Iodo-bis(5-iodo-1,3,3-trimethylindoline-2yl)monomethinium Perchlorate

- C23 H24 Cl I3 N2 O4 -

- C92 H96 Cl4 I12 N8 O16 -

4

1

FG1330

Johannes, Hans-Hermann; Grahn, Walter; Dix, Ina; Jones, Peter G.

5-Iodo-2-[iodo(5-iodo-1,3,3-trimethyl-2-indolinylidene)methyl]-1,3,3-trimethyl-3H-indolium Perchlorate: a Highly Overcrowded Cyanine Dye

Acta Crystallographica Section C

1,997

53

10

1432

1434

10.1107/S0108270197007580

0.71073

MoKα

0.037

0.0286

null

0.0599

0.0558

null

1.076

1.081

null

has coordinates

Johannes, Hans-Hermann; Grahn, Walter; Dix, Ina; Jones, Peter G. 5-Iodo-2-[iodo(5-iodo-1,3,3-trimethyl-2-indolinylidene)methyl]-1,3,3-trimethyl-3H-indolium Perchlorate: a Highly Overcrowded Cyanine Dye Acta Crystallographica Section C 53(10) (1997) 1432-1434

301,791

2025-08-18

23:15:29

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/65/2006580.cif $ #-------------------------------------------------------------------...

2,230,170

12.0709

0.0004

5.9689

0.0002

21.9224

0.0005

90

null

104.77

0.001

90

null

1,527.32

0.08

293

2

293

2

null

6

P 1 21/n 1

-P 2yn

14

Aquachloridobis(diphenylglyoximato-κ^2^N,N')cobalt(III) dihydrate

- C28 H28 Cl Co N4 O7 -

- C28 H22 Cl Co N4 O7 -

- C56 H44 Cl2 Co2 N8 O14 -

2

0.5

WM2477

Meera, Parthasarathy; Selvi, Madhavan Amutha; Dayalan, Arunachalam

Aquachloridobis(diphenylglyoximato-κ^2^N,N')cobalt(III) dihydrate

Acta Crystallographica Section E

2,011

67

5

m626

m627

10.1107/S1600536811014280

0.71073

MoKα

0.07

0.0615

null

0.1899

0.1992

null

1.249

null

has coordinates,has disorder,has Fobs

Meera, Parthasarathy; Selvi, Madhavan Amutha; Dayalan, Arunachalam Aquachloridobis(diphenylglyoximato-κ^2^N,N')cobalt(III) dihydrate Acta Crystallographica Section E 67(5) (2011) m626-m627

176,798

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-21 02:03:34 +0200 (Sun, 21 Feb 2016) $ #$Revision: 176798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/01/2230170.cif $ #-------------------------------------------------------------------...

2,006,581

11.6191

0.0014

12.576

0.002

13.474

0.002

106.666

0.01

100.155

0.008

103.946

0.01

1,765.6

0.5

173

2

173

2

null

6

P -1

-P 1

2

N,N'-Di(benzenesulfonyl)sulfamide Dichloromethane Solvate (1/0.5)

- C12.5 H13 Cl N2 O6 S3 -

- C50 H52 Cl4 N8 O24 S12 -

4

2

FG1336

Hiemisch, Oliver; Henschel, Dagmar; Blaschette, Armand; Jones, Peter G.

Polysulfonylamines. LXXXVII. Bis(benzenesulfonamido) Sulfone–Dichloromethane (1/0.5)

Acta Crystallographica Section C

1,997

53

10

1429

1432

10.1107/S010827019700704X

0.71073

MoKα

0.0828

0.0411

null

0.0941

0.0833

null

0.856

0.99

null

has coordinates,has disorder

Hiemisch, Oliver; Henschel, Dagmar; Blaschette, Armand; Jones, Peter G. Polysulfonylamines. LXXXVII. Bis(benzenesulfonamido) Sulfone–Dichloromethane (1/0.5) Acta Crystallographica Section C 53(10) (1997) 1429-1432

301,791

2025-08-18

23:15:29

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/65/2006581.cif $ #-------------------------------------------------------------------...

2,006,582

24.312

0.005

9.464

0.002

9.454

0.003

90

null

90.06

0.02

90

null

2,175.3

0.9

178

2

178

2

null

4

C 1 2/c 1

-C 2yc

15

1-Acetamidoadamantane

- C12 H19 N O -

- C96 H152 N8 O8 -

8

1

FG1344

Pröhl, Hans-Heinrich; Blaschette, Armand; Jones, Peter G.

1-Acetamidoadamantane

Acta Crystallographica Section C

1,997

53

10

1434

1436

10.1107/S0108270197007610

0.71073

MoKα

0.0595

0.0387

null

0.1151

0.0986

null

1.029

1.087

null

has coordinates

Pröhl, Hans-Heinrich; Blaschette, Armand; Jones, Peter G. 1-Acetamidoadamantane Acta Crystallographica Section C 53(10) (1997) 1434-1436

301,791

2025-08-18

23:15:29

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/65/2006582.cif $ #-------------------------------------------------------------------...

2,006,583

8.528

0.002

11.565

0.002

11.993

0.003

71.34

0.02

74.77

0.02

79.26

0.02

1,074.5

0.4

173

null

173

null

4

P -1

-P 1

2

- C18 H30 N4 O12 -

- C36 H60 N8 O24 -

2

1

FR1042

Finnen, Daniel C.; Pinkerton, A. Alan

The Chelating Agent N,N,N',N'',N''',N'''-Triethylenetetraminehexacetic Acid (TTHA)

Acta Crystallographica Section C

1,997

53

10

1455

1457

10.1107/S0108270197005969

0.71073

MoKα

0.105

0.043

null

0.049

null

1.39

null

has coordinates

Finnen, Daniel C.; Pinkerton, A. Alan The Chelating Agent N,N,N',N'',N''',N'''-Triethylenetetraminehexacetic Acid (TTHA) Acta Crystallographica Section C 53(10) (1997) 1455-1457

301,791

2025-08-18

23:15:29

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/65/2006583.cif $ #-------------------------------------------------------------------...

2,006,584

7.489

0.001

5.534

0.004

18.722

0.002

90

null

91.3

0.03

90

null

775.7

0.6

296

null

3

P 1 21/a 1

-P 2yab

14

- C9 H8 O3 -

- C36 H32 O12 -

4

1

FR1047

Okabe, Nobuo; Inubushi, Chika

Phenylpyruvic Acid

Acta Crystallographica Section C

1,997

53

10

1449

1450

10.1107/S0108270197006525

0.71069

MoKα

null

0.057

null

0.07

null

2.16

null

has coordinates

Okabe, Nobuo; Inubushi, Chika Phenylpyruvic Acid Acta Crystallographica Section C 53(10) (1997) 1449-1450

301,791

2025-08-18

23:15:29

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/65/2006584.cif $ #-------------------------------------------------------------------...

2,006,585

9.134

0.001

12.328

0.001

10.314

0.001

90

null

90

null

90

null

1,161.4

0.19

296

null

296

null

4

P b c m

-P 2c 2b

57

titanium endo-isodicyclopentadienide trichloride

(η^5^-endo-tricyclo[5.2.1.0^2,6^]deca-2,5-dien-3-yl) trichlorotitanium

- C10 H11 Cl3 Ti -

- C40 H44 Cl12 Ti4 -

4

0.5

FR1048

Gallucci, Judith C.; Kozmina, Natasha; Paquette, Leo A.; Zaegel, Florence; Meunier, Philippe; Gautheron, Bernard

endo and exo Isomers of Isodicyclopentadienyltrichlorotitanium

Acta Crystallographica Section C

1,997

53

10

1416

1420

10.1107/S0108270197006781

0.7107

MoKα

null

0.038

null

0.03

null

1.58

null

has coordinates

Gallucci, Judith C.; Kozmina, Natasha; Paquette, Leo A.; Zaegel, Florence; Meunier, Philippe; Gautheron, Bernard endo and exo Isomers of Isodicyclopentadienyltrichlorotitanium Acta Crystallographica Section C 53(10) (1997) 1416-1420

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/65/2006585.cif $ #-------------------------------------------------------------------...

2,230,169

11.563

0.002

23.447

0.005

9.881

0.002

90

null

95.43

0.03

90

null

2,666.9

0.9

293

2

293

2

null

4

C 1 2/c 1

-C 2yc

15

(E)-N,N'-bis(4-bromophenyl)formamidine

- C13 H10 Br2 N2 -

- C104 H80 Br16 N16 -

8

1

WM2476

Han, L.-J.

Redetermination of (E)-N,N'-bis(4-bromophenyl)formamidine

Acta Crystallographica Section E

2,011

67

5

o1159

10.1107/S1600536811013419

0.71073

MoKα

0.0728

0.0478

null

0.1078

0.1141

null

1.002

null

has coordinates,has Fobs

Han, L.-J. Redetermination of (E)-N,N'-bis(4-bromophenyl)formamidine Acta Crystallographica Section E 67(5) (2011) o1159

176,798

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-21 02:03:34 +0200 (Sun, 21 Feb 2016) $ #$Revision: 176798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/01/2230169.cif $ #-------------------------------------------------------------------...

2,006,586

12.4368

0.0008

9.062

0.0001

10.3153

0.0009

90

null

90

null

90

null

1,162.56

0.13

296

null

296

null

4

P c a 21

P 2c -2ac

29

titanium exo-isodicyclopentadienide trichloride

(η^5^-exo-tricyclo[5.2.1.0^2,6^]deca-2,5-dien-3-yl) trichlorotitanium

- C10 H11 Cl3 Ti -

- C40 H44 Cl12 Ti4 -

4

1

FR1048

Gallucci, Judith C.; Kozmina, Natasha; Paquette, Leo A.; Zaegel, Florence; Meunier, Philippe; Gautheron, Bernard

endo and exo Isomers of Isodicyclopentadienyltrichlorotitanium

Acta Crystallographica Section C

1,997

53

10

1416

1420

10.1107/S0108270197006781

0.7107

MoKα

null

0.026

null

0.023

null

1.7

null

has coordinates

Gallucci, Judith C.; Kozmina, Natasha; Paquette, Leo A.; Zaegel, Florence; Meunier, Philippe; Gautheron, Bernard endo and exo Isomers of Isodicyclopentadienyltrichlorotitanium Acta Crystallographica Section C 53(10) (1997) 1416-1420

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/65/2006586.cif $ #-------------------------------------------------------------------...

2,006,587

9.029

0.002

15.416

0.003

14.695

0.003

90

null

107.8

0.03

90

null

1,947.5

0.8

293

2

293

2

null

6

C 1 2/c 1

-C 2yc

15

tetrakis(ethylenediamine)yttrium (2.75)hydrosulfide 0.25Iodine

- C8 H34.72 I0.28 N8 S2.72 Y -

- C8 H34.722 I0.278 N8 S2.722 Y -

- C32 H138.888 I1.112 N32 S10.888 Y4 -

4

0.5

FR1053

George, Clifford; Purdy, Andrew P.

Tetrakis(ethylenediamine)yttrium(III) Hydrosulfide Iodide

Acta Crystallographica Section C

1,997

53

10

1381

1383

10.1107/S010827019700749X

0.71073

MoKα

0.068

0.044

null

0.105

0.095

null

1.055

1.094

null

has coordinates

George, Clifford; Purdy, Andrew P. Tetrakis(ethylenediamine)yttrium(III) Hydrosulfide Iodide Acta Crystallographica Section C 53(10) (1997) 1381-1383

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/65/2006587.cif $ #-------------------------------------------------------------------...