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

2,013,260

11.642

0.0005

11.8755

0.0005

12.7087

0.0006

102.261

0.01

103.03

0.01

95.789

0.01

1,652.21

0.17

173

2

173

2

null

7

P -1

-P 1

2

{2-[1-acetyl-5-(2-hydroxyphenyl)-4-phenyl-1,2,4-diazaphospholan-3-yl]phenyl acetate-κP}chloro(cycloocta-1,5-diene-κ^4^C^1^,C^2^,C^5^,C^6^)rhodium(I) dichloromethane solvate

- C33 H37 Cl3 N2 O4 P Rh -

- C66 H74 Cl6 N4 O8 P2 Rh2 -

2

1

FG1680

Clark, Robert W.; Guzei, Ilia A.; Jin, Wiechang C.; Landis, Clark R.

A 1,2,4-diazaphospholane complex of rhodium

Acta Crystallographica Section C

2,003

59

4

m144

m145

10.1107/S0108270103002142

0.71073

MoKα

0.037

0.034

null

0.086

0.088

null

1.06

null

has coordinates,has Fobs

Clark, Robert W.; Guzei, Ilia A.; Jin, Wiechang C.; Landis, Clark R. A 1,2,4-diazaphospholane complex of rhodium Acta Crystallographica Section C 59(4) (2003) m144-m145

176,760

2020-10-21

18:00:00

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2,013,261

11.7086

0.0013

11.7086

0.0013

6.4475

0.0008

90

null

90

null

120

null

765.48

0.15

120

2

120

2

null

5

P 63/m c m

-P 6c 2

193

Catena-(sodium trisacetone solvate) polyiodide

- C9 H18 I2 Na O3 -

- C18 H36 I4 Na2 O6 -

2

0.083333

FG1688

Howie, R. Alan; Wardell, James L.

Polymeric tris(μ~2~-acetone-κ^2^O:O)sodium polyiodide at 120K

Acta Crystallographica Section C

2,003

59

5

m184

m186

10.1107/S0108270103006395

0.71073

MoKα

0.0598

0.0468

null

0.1141

0.1328

null

1.09

null

has coordinates,has Fobs

Howie, R. Alan; Wardell, James L. Polymeric tris(μ~2~-acetone-κ^2^O:O)sodium polyiodide at 120K Acta Crystallographica Section C 59(5) (2003) m184-m186

176,760

2020-10-21

18:00:00

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2,013,262

10.3189

0.0014

11.2427

0.0017

11.8631

0.0015

93.077

0.012

111.112

0.011

113.483

0.012

1,145.8

0.3

296

2

null

4

P -1

-P 1

2

- C56 H54 Fe N6 -

1

0.5

FG1690

Munro, Orde Q.; Ntshangase, Mthembeni M.

[Fe(TPP)(4-MePip)~2~]: an axially compressed bis(secondary amine) complex of an iron(II) porphyrin

Acta Crystallographica Section C

2,003

59

6

m224

m227

10.1107/S0108270103008734

0.71073

MoKα

null

0.0375

null

0.107

null

1.058

null

has coordinates,has Fobs

Munro, Orde Q.; Ntshangase, Mthembeni M. [Fe(TPP)(4-MePip)~2~]: an axially compressed bis(secondary amine) complex of an iron(II) porphyrin Acta Crystallographica Section C 59(6) (2003) m224-m227

176,760

2020-10-21

18:00:00

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2,013,263

15.655

0.013

15.655

0.005

16.869

0.013

90

null

90

null

90

null

4,134

5

293

2

293

2

null

4

I 41/a :2

-I 4ad

88

dipropyl 3,6-diphenyl-1,2-dihydro-s-tetrazine-1,2-dicarbonate

- C22 H24 N4 O4 -

- C176 H192 N32 O32 -

8

0.5

FR1397

Guo-Wu Rao; Wei-Xiao Hu

Dipropyl 3,6-diphenyl-1,2-dihydro-1,2,4,5-tetrazine-1,2-dicarboxylate

Acta Crystallographica Section C

2,003

59

5

o281

o282

10.1107/S0108270103007212

0.71073

MoKα

0.0592

0.0379

null

0.1

0.1114

null

1.052

null

has coordinates,has Fobs

Guo-Wu Rao; Wei-Xiao Hu Dipropyl 3,6-diphenyl-1,2-dihydro-1,2,4,5-tetrazine-1,2-dicarboxylate Acta Crystallographica Section C 59(5) (2003) o281-o282

301,798

2025-08-19

6:42:14

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2,013,264

11.641

0.001

12.019

0.001

17.999

0.002

90

null

98.94

0.01

90

null

2,487.7

0.4

293

1

293

1

null

5

P 1 21/n 1

-P 2yn

14

[μ-(E)-4,4'-(1,2-ethenediyl)dipyridine-κ^2^-N:N']bis[chlorotris(4- methylphenyl)tin(IV)]

- C54 H52 Cl2 N2 Sn2 -

- C108 H104 Cl4 N4 Sn4 -

2

0.5

FR1399

Bajue, Stanley A.; Lewis, Choy; Clarke, Karen; Bramwell, Fitzgerald B.; Patrick, Brian O.; Brock, Carolyn Pratt

Isostructural or not? Adducts of some aryltin halides with (E)-1,2-bis(4-pyridyl)ethene

Acta Crystallographica Section C

2,003

59

6

m207

m211

10.1107/S0108270102023600

0.71073

MoKα

0.035

0.028

null

0.066

0.07

null

1.04

null

has coordinates,has Fobs

Bajue, Stanley A.; Lewis, Choy; Clarke, Karen; Bramwell, Fitzgerald B.; Patrick, Brian O.; Brock, Carolyn Pratt Isostructural or not? Adducts of some aryltin halides with (E)-1,2-bis(4-pyridyl)ethene Acta Crystallographica Section C 59(6) (2003) m207-m211

176,760

2020-10-21

18:00:00

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2,013,265

11.736

0.001

12.06

0.001

18.054

0.002

90

null

98.76

0.01

90

null

2,525.5

0.4

295

1

295

1

null

5

P 1 21/n 1

-P 2yn

14

[μ-(E)-4,4'-(1,2-ethenediyl)dipyridine-κ^2^-N:N']bis[bromotris(4- methylphenyl)tin(IV)]

- C54 H52 Br2 N2 Sn2 -

- C108 H104 Br4 N4 Sn4 -

2

0.5

FR1399

Bajue, Stanley A.; Lewis, Choy; Clarke, Karen; Bramwell, Fitzgerald B.; Patrick, Brian O.; Brock, Carolyn Pratt

Isostructural or not? Adducts of some aryltin halides with (E)-1,2-bis(4-pyridyl)ethene

Acta Crystallographica Section C

2,003

59

6

m207

m211

10.1107/S0108270102023600

0.71073

MoKα

0.042

0.036

null

0.101

0.105

null

1.06

null

has coordinates,has Fobs

Bajue, Stanley A.; Lewis, Choy; Clarke, Karen; Bramwell, Fitzgerald B.; Patrick, Brian O.; Brock, Carolyn Pratt Isostructural or not? Adducts of some aryltin halides with (E)-1,2-bis(4-pyridyl)ethene Acta Crystallographica Section C 59(6) (2003) m207-m211

176,760

2020-10-21

18:00:00

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2,013,266

12.167

0.001

12.323

0.001

16.98

0.002

90

null

97.28

0.01

90

null

2,525.4

0.4

295

1

295

1

null

5

P 1 21/n 1

-P 2yn

14

[μ-(E)-4,4'-(1,2-ethenediyl)dipyridine-κ^2^-N:N']bis[iodotris(4- methylphenyl)tin(IV)]

- C54 H52 I2 N2 Sn2 -

- C108 H104 I4 N4 Sn4 -

2

0.5

FR1399

Bajue, Stanley A.; Lewis, Choy; Clarke, Karen; Bramwell, Fitzgerald B.; Patrick, Brian O.; Brock, Carolyn Pratt

Isostructural or not? Adducts of some aryltin halides with (E)-1,2-bis(4-pyridyl)ethene

Acta Crystallographica Section C

2,003

59

6

m207

m211

10.1107/S0108270102023600

0.71073

MoKα

0.038

0.03

null

0.059

0.062

null

1.07

null

has coordinates,has disorder,has Fobs

Bajue, Stanley A.; Lewis, Choy; Clarke, Karen; Bramwell, Fitzgerald B.; Patrick, Brian O.; Brock, Carolyn Pratt Isostructural or not? Adducts of some aryltin halides with (E)-1,2-bis(4-pyridyl)ethene Acta Crystallographica Section C 59(6) (2003) m207-m211

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/32/2013266.cif $ #-------------------------------------------------------------------...

2,013,267

15.767

0.002

14.64

0.002

19.148

0.003

90

null

102.34

0.01

90

null

4,317.8

1.1

293

1

293

1

null

5

P 1 21/c 1

-P 2ybc

14

[μ-(E)-4,4'-(1,2-ethenediyl)dipyridine-κ^2^-N:N']bis[chlorotriphenyltin(IV)]

- C48 H40 Cl2 N2 Sn2 -

- C192 H160 Cl8 N8 Sn8 -

4

1

FR1399

Bajue, Stanley A.; Lewis, Choy; Clarke, Karen; Bramwell, Fitzgerald B.; Patrick, Brian O.; Brock, Carolyn Pratt

Isostructural or not? Adducts of some aryltin halides with (E)-1,2-bis(4-pyridyl)ethene

Acta Crystallographica Section C

2,003

59

6

m207

m211

10.1107/S0108270102023600

0.71073

MoKα

0.043

0.027

null

0.059

0.064

null

0.81

null

has coordinates,has Fobs

Bajue, Stanley A.; Lewis, Choy; Clarke, Karen; Bramwell, Fitzgerald B.; Patrick, Brian O.; Brock, Carolyn Pratt Isostructural or not? Adducts of some aryltin halides with (E)-1,2-bis(4-pyridyl)ethene Acta Crystallographica Section C 59(6) (2003) m207-m211

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/32/2013267.cif $ #-------------------------------------------------------------------...

2,013,268

10.593

0.001

15.134

0.002

28.592

0.003

90

null

90

null

90

null

4,583.7

0.9

150

2

150

2

null

5

P b c a

-P 2ac 2ab

61

Ansa-[(tert-butylamino)(isodicyclopentadienyl)dimethylsilane]Zr(NMe~2~)~2~

(N-tert-butyl-N-{[(1,2,3,3a,7a-η)-4,5,6,7-tetrahydro-4,7-methano-1H-inden- 2-yl]dimethylsilyl}amido)-κN]bis(N-methylmethanaminato-κN)zirconium(IV)

- C20 H37 N3 Si Zr -

- C160 H296 N24 Si8 Zr8 -

8

1

FR1410

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

ansa-[(tert-Butylamino)(isodicyclopentadienyl)dimethylsilane]Zr(NMe~2~)~2~ prepared by an amine-elimination reaction

Acta Crystallographica Section C

2,003

59

4

m109

m111

10.1107/S0108270103003172

0.71073

MoKα

0.038

0.029

null

0.075

0.08

null

1.038

null

has coordinates,has disorder,has Fobs

Gallucci, Judith C.; Gentil, Sébastien; Pirio, Nadine; Meunier, Philippe; Gallou, Fabrice; Paquette, Leo A. ansa-[(tert-Butylamino)(isodicyclopentadienyl)dimethylsilane]Zr(NMe~2~)~2~ prepared by an amine-elimination reaction Acta Crystallographica Section C 59(4) (2003) m109-m111

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/32/2013268.cif $ #-------------------------------------------------------------------...

2,013,269

12.823

0.003

11.269

0.004

15.407

0.004

90

null

102.86

0.015

90

null

2,170.5

1.1

296

2

296

2

null

4

P 1 21 1

P 2yb

4

9-α-fluoro-16-α-methyl-3,11-dioxoandrosta-1,4-diene-17β- carboxylic acid

- C23 H29 F O6 -

- C92 H116 F4 O24 -

4

2

FR1413

Lalancette, Roger A.; Thompson, Hugh W.

9α-Fluoro-16α-methyl-3,11-dioxoandrosta-1,4-diene-17β-carboxylic acid: catemeric hydrogen bonding and acetic acid solvation in a steroidal keto acid related to dexamethasone

Acta Crystallographica Section C

2,003

59

5

o274

o276

10.1107/S0108270103007121

0.71073

MoKα

0.102

0.059

null

0.128

0.146

null

1.06

null

has coordinates,has Fobs

Lalancette, Roger A.; Thompson, Hugh W. 9α-Fluoro-16α-methyl-3,11-dioxoandrosta-1,4-diene-17β-carboxylic acid: catemeric hydrogen bonding and acetic acid solvation in a steroidal keto acid related to dexamethasone Acta Crystallographica Section C 59(5) (2003) o274-o276

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/32/2013269.cif $ #-------------------------------------------------------------------...

2,013,270

18.036

0.009

4.836

0.002

19.79

0.011

90

null

97.02

0.02

90

null

1,713.2

1.5

173

2

173

2

null

6

P 1 21/c 1

-P 2ybc

14

2-(4-chlorophenyl)-4-(2-hydroxylphenyl)-2-phenyl-2,3-dihydro-1,5- benzothiazepine

- C21 H16 Cl N O S -

- C84 H64 Cl4 N4 O4 S4 -

4

1

FR1416

Parvez, Masood; Umbreen, Sumaira; Ansari, Farzana Latif

Derivatives of 4-(2-hydroxylphenyl)-2-phenyl-2,3-dihydro-1,5-benzothiazepine

Acta Crystallographica Section C

2,003

59

6

o298

o301

10.1107/S0108270103008345

0.71073

MoKα

0.076

0.044

null

0.097

0.113

null

1.02

null

has coordinates,has Fobs

Parvez, Masood; Umbreen, Sumaira; Ansari, Farzana Latif Derivatives of 4-(2-hydroxylphenyl)-2-phenyl-2,3-dihydro-1,5-benzothiazepine Acta Crystallographica Section C 59(6) (2003) o298-o301

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/32/2013270.cif $ #-------------------------------------------------------------------...

2,013,271

4.8678

0.0011

17.563

0.003

20.129

0.005

90

null

93.078

0.008

90

null

1,718.4

0.6

173

2

173

2

null

5

P 1 21/c 1

-P 2ybc

14

4-(2-hydroxylphenyl)-2-phenyl-2-(4-tolyl)-2,3-dihydro-1,5-benzothiazepine

- C22 H19 N O S -

- C88 H76 N4 O4 S4 -

4

1

FR1416

Parvez, Masood; Umbreen, Sumaira; Ansari, Farzana Latif

Derivatives of 4-(2-hydroxylphenyl)-2-phenyl-2,3-dihydro-1,5-benzothiazepine

Acta Crystallographica Section C

2,003

59

6

o298

o301

10.1107/S0108270103008345

0.71073

MoKα

0.092

0.046

null

0.103

0.121

null

0.99

null

has coordinates,has Fobs

Parvez, Masood; Umbreen, Sumaira; Ansari, Farzana Latif Derivatives of 4-(2-hydroxylphenyl)-2-phenyl-2,3-dihydro-1,5-benzothiazepine Acta Crystallographica Section C 59(6) (2003) o298-o301

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/32/2013271.cif $ #-------------------------------------------------------------------...

2,013,272

11.973

0.002

16.224

0.004

9.25

0.003

90

null

94.437

0.009

90

null

1,791.4

0.8

173

2

173

2

null

5

P 1 21/c 1

-P 2ybc

14

4-(2-hydroxylphenyl)-2-(4-methoxyphenyl)-2-phenyl-2,3-dihydro-1,5- benzothiazepine

- C22 H19 N O2 S -

- C88 H76 N4 O8 S4 -

4

1

FR1416

Parvez, Masood; Umbreen, Sumaira; Ansari, Farzana Latif

Derivatives of 4-(2-hydroxylphenyl)-2-phenyl-2,3-dihydro-1,5-benzothiazepine

Acta Crystallographica Section C

2,003

59

6

o298

o301

10.1107/S0108270103008345

0.71073

MoKα

0.064

0.04

null

0.095

0.107

null

1.02

null

has coordinates,has Fobs

Parvez, Masood; Umbreen, Sumaira; Ansari, Farzana Latif Derivatives of 4-(2-hydroxylphenyl)-2-phenyl-2,3-dihydro-1,5-benzothiazepine Acta Crystallographica Section C 59(6) (2003) o298-o301

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/32/2013272.cif $ #-------------------------------------------------------------------...

2,013,273

11.3771

0.0007

7.3386

0.0004

7.9974

0.0007

90

null

103.431

0.006

90

null

649.46

0.08

298

2

298

2

null

5

P 1 21/c 1

-P 2ybc

14

Ammonium 1,5-naphthalenedisulfonate

bis(ammonium) naphthalene-1,5-disulfonate

- C10 H14 N2 O6 S2 -

- C20 H28 N4 O12 S4 -

2

0.5

FR1418

Sakwa, Samuel; Wheeler, Kraig A.

Two bis(ammonium) 1,5-naphthalenedisulfonate salts

Acta Crystallographica Section C

2,003

59

6

o332

o334

10.1107/S0108270103008333

0.71073

MoKα

0.0366

0.0316

null

0.082

0.0859

null

1.092

null

has coordinates

Sakwa, Samuel; Wheeler, Kraig A. Two bis(ammonium) 1,5-naphthalenedisulfonate salts Acta Crystallographica Section C 59(6) (2003) o332-o334

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/32/2013273.cif $ #-------------------------------------------------------------------...

2,013,274

6.0625

0.0004

19.282

0.001

11.6207

0.0007

90

null

96.72

0.04

90

null

1,349.09

0.18

298

2

298

2

null

5

P 1 21/c 1

-P 2ybc

14

N-hydroxymethylhexamethylenetetraaminium 1,5-naphthalenedisulfonate

bis[1-(hydroxymethyl)-3,5,7-triaza-1-azoniatricyclo[3.3.1.1^3,7^]decane] 1,5-naphthalenedisulfonate

- C24 H36 N8 O8 S2 -

- C48 H72 N16 O16 S4 -

2

0.5

FR1418

Sakwa, Samuel; Wheeler, Kraig A.

Two bis(ammonium) 1,5-naphthalenedisulfonate salts

Acta Crystallographica Section C

2,003

59

6

o332

o334

10.1107/S0108270103008333

0.71073

MoKα

0.0465

0.0381

null

0.1026

0.1082

null

1.08

null

has coordinates

Sakwa, Samuel; Wheeler, Kraig A. Two bis(ammonium) 1,5-naphthalenedisulfonate salts Acta Crystallographica Section C 59(6) (2003) o332-o334

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/32/2013274.cif $ #-------------------------------------------------------------------...

2,013,275

10.234

0.002

13.69

0.004

10.478

0.002

90

null

119.174

0.015

90

null

1,281.8

0.5

293

2

293

2

null

5

P 1 21/n 1

-P 2yn

14

poly[[[di-μ-chloro-bis[chloro(2-ethyltetrazole-kN^4^)copper(II)]]- di-μ-ethyltetrazole-k^2^N^1^:N^4^]

- C6 H12 Cl2 Cu N8 -

- C24 H48 Cl8 Cu4 N32 -

4

1

FR1419

Lyakhov, Alexander S.; Gaponik, Pavel N.; Degtyarik, Michail M.; Ivashkevich, Ludmila S.

The layered structure of poly[[di-μ-chloro-bis[chloro(2-ethyltetrazole-κN^4^)copper(II)]]-di-μ-2-ethyltetrazole-κ^2^N^1^:N^4^]

Acta Crystallographica Section C

2,003

59

6

m204

m206

10.1107/S0108270103008321

0.71073

MoKα

0.0374

0.0341

null

0.0966

0.0982

null

1.088

null

has coordinates,has Fobs

Lyakhov, Alexander S.; Gaponik, Pavel N.; Degtyarik, Michail M.; Ivashkevich, Ludmila S. The layered structure of poly[[di-μ-chloro-bis[chloro(2-ethyltetrazole-κN^4^)copper(II)]]-di-μ-2-ethyltetrazole-κ^2^N^1^:N^4^] Acta Crystallographica Section C 59(6) (2003) m204-m206

176,760

2020-10-21

18:00:00

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2,013,276

19.91

0.003

7.8559

0.0008

19.263

0.002

90

null

90

null

90

null

3,012.9

0.6

173

2

173

2

null

5

P b c n

-P 2n 2ab

60

Bis[μ-1,2-bis(2-pyridyl)ethyne-κ^2^N:N']bis[aquadinitratocadmium(II)]

- C24 H20 Cd2 N8 O14 -

- C96 H80 Cd8 N32 O56 -

4

0.5

FR1421

Zaman, Md. Badruz; Davis, Matthew J.; Smith, Mark D.; zur Loye, Hans-Conrad

Bis[μ-1,2-bis(2-pyridyl)ethyne-κ^2^N:N']bis[aquadinitratocadmium(II)]

Acta Crystallographica Section C

2,003

59

6

m234

m236

10.1107/S0108270103008904

0.71073

MoKα

0.0224

0.0191

null

0.0507

0.0517

null

1.057

null

has coordinates,has Fobs

Zaman, Md. Badruz; Davis, Matthew J.; Smith, Mark D.; zur Loye, Hans-Conrad Bis[μ-1,2-bis(2-pyridyl)ethyne-κ^2^N:N']bis[aquadinitratocadmium(II)] Acta Crystallographica Section C 59(6) (2003) m234-m236

301,798

2025-08-19

6:42:14

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2,013,277

14.5104

0.0011

14.5104

0.0011

15.7725

0.0016

90

null

90

null

120

null

2,876

0.4

293

2

293

2

null

5

P 6/m c c

-P 6 2c

192

hexaaquahexakis(μ~3~-2,2'-oxydiacetato)trizinc(II)digadolinium(III) dodecahydrate

- C24 H60 Gd2 O48 Zn3 -

- C24 H36 Gd2 O45.342 Zn3 -

- C48 H72 Gd4 O90.684 Zn6 -

2

0.083333

GA1010

Baggio, Ricardo; Perec, Mireille; Garland, Maria Teresa

Polymeric hexaaquahexakis(μ~3~-2,2'-oxydiacetato)trizinc(II)digadolinium(III) dodecahydrate

Acta Crystallographica Section C

2,003

59

5

m175

m177

10.1107/S010827010300595X

0.71073

MoKα

0.0376

0.0316

null

0.0921

0.0962

null

1.067

null

has coordinates,has Fobs

Baggio, Ricardo; Perec, Mireille; Garland, Maria Teresa Polymeric hexaaquahexakis(μ~3~-2,2'-oxydiacetato)trizinc(II)digadolinium(III) dodecahydrate Acta Crystallographica Section C 59(5) (2003) m175-m177

176,760

2020-10-21

18:00:00

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2,013,278

8.87

0.002

10.64

0.002

12.685

0.002

103.36

0.02

98.79

0.02

110.45

0.02

1,054.9

0.4

293

2

293

2

null

6

P -1

-P 1

2

di-μ-sulfato-κ^3^O,O':O''-bis{aqua[2,4,6-tris(2-pyridyl)-1,3,5-triazine- κ^3^N^1^,N^2^,N^6^]cadmium(II)} tetrahydrate

- C36 H36 Cd2 N12 O14 S2 -

1

0.5

GA1011

Miguel Harvey; Sergio Baggio; Silvia Russi; Ricardo Baggio

Two new dimeric cadmium(II) and zinc(II) sulfate complexes with 2,4,6-tris(2-pyridyl)-1,3,5-triazine and 2,2:6',2''-terpyridine

Acta Crystallographica Section C

2,003

59

5

m171

m174

10.1107/S0108270103006462

0.71073

MoKα

0.0832

0.0381

null

0.0508

0.0563

null

0.878

null

has coordinates,has Fobs

Miguel Harvey; Sergio Baggio; Silvia Russi; Ricardo Baggio Two new dimeric cadmium(II) and zinc(II) sulfate complexes with 2,4,6-tris(2-pyridyl)-1,3,5-triazine and 2,2:6',2''-terpyridine Acta Crystallographica Section C 59(5) (2003) m171-m174

301,798

2025-08-19

6:42:14

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2,013,279

9.7

0.002

9.755

0.002

10.324

0.002

110.34

0.02

116.59

0.02

98.83

0.02

761.4

0.4

293

2

293

2

null

6

P -1

-P 1

2

di-μ-sulfato-κ^2^O:O'-bis[(2,2':6',2''-terpyridine- κ^3^N^1^,N^1'^,N^1''^)zinc(II)] dihydrate

- C30 H26 N6 O10 S2 Zn2 -

1

0.5

GA1011

Miguel Harvey; Sergio Baggio; Silvia Russi; Ricardo Baggio

Two new dimeric cadmium(II) and zinc(II) sulfate complexes with 2,4,6-tris(2-pyridyl)-1,3,5-triazine and 2,2:6',2''-terpyridine

Acta Crystallographica Section C

2,003

59

5

m171

m174

10.1107/S0108270103006462

0.71073

MoKα

0.0579

0.0401

null

0.0682

0.0728

null

0.848

null

has coordinates,has Fobs

Miguel Harvey; Sergio Baggio; Silvia Russi; Ricardo Baggio Two new dimeric cadmium(II) and zinc(II) sulfate complexes with 2,4,6-tris(2-pyridyl)-1,3,5-triazine and 2,2:6',2''-terpyridine Acta Crystallographica Section C 59(5) (2003) m171-m174

301,798

2025-08-19

6:42:14

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2,013,280

6.005

0.003

17.448

0.004

10.453

0.005

90

null

93.846

0.004

90

null

1,092.7

0.8

293

2

293

2

null

4

P 1 21 1

P 2yb

4

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

- C27 H31 N O2 -

- C54 H62 N2 O4 -

2

1

GD1244

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

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

Acta Crystallographica Section C

2,003

59

4

o213

o215

10.1107/S0108270103005419

0.71073

MoKα

0.0773

0.0539

null

0.123

0.1364

null

1.054

null

has coordinates,has Fobs

Hema, R.; Parthasarathi, V.; Thamotharan, S.; Dubey, S.; Jindal, D. P. 16-(4-Cyanobenzylidene)-17-oxoandrost-5-en-3β-ol Acta Crystallographica Section C 59(4) (2003) o213-o215

301,798

2025-08-19

6:42:14

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2,013,281

24.0235

0.0005

7.9361

0.0002

20.2167

0.0005

90

null

107.824

0.001

90

null

3,669.37

0.15

150

1

null

4

C 1 2 1

C 2y

5

- C14 H26 N8 O2 -

- C112 H208 N64 O16 -

8

2

GD1245

Zoran Štefanić; Biserka Kojić-Prodić; Zoran Džolić; Darinka Katalenić; Mladen Žinić; Anton Meden

Hydrogen bonding in N,N'-bis[(1S)-2-azido-1-(2-methylpropyl)ethyl]oxalamide: twofold symmetry of Rf̱{_2^2}(10) hydrogen-bonded dimers connected into an α-network

Acta Crystallographica Section C

2,003

59

6

o286

o288

10.1107/S0108270103005286

0.71069

MoKα

null

0.0537

null

0.1287

null

1.03

null

has coordinates,has Fobs

Zoran Štefanić; Biserka Kojić-Prodić; Zoran Džolić; Darinka Katalenić; Mladen Žinić; Anton Meden Hydrogen bonding in N,N'-bis[(1S)-2-azido-1-(2-methylpropyl)ethyl]oxalamide: twofold symmetry of Rf̱{_2^2}(10) hydrogen-bonded dimers connected into an α-network Acta Crystallographica Section C ...

201,957

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-10-13 03:48:21 +0300 (Fri, 13 Oct 2017) $ #$Revision: 201957 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/32/2013281.cif $ #-------------------------------------------------------------------...

2,013,282

9.7611

0.0014

10.1229

0.0015

10.7545

0.0013

88.349

0.009

87.715

0.009

62.925

0.009

945.4

0.2

298

2

298

2

null

4

P -1

-P 1

2

N-(4-methoxyphenyl)proline peptidomimetic

(±)-5-(4-Methoxyphenylaminocarbonyl)-1-azabicyclo[3.3.0]octan-2-one benzene solvate

- C21 H24 N2 O3 -

- C42 H48 N4 O6 -

2

1

GD1247

Wheeler, Kraig A.

(±)-5-(4-Methoxyphenylaminocarbonyl)-1-azabicyclo[3.3.0]octan-2-one benzene solvate

Acta Crystallographica Section C

2,003

59

5

o231

o233

10.1107/S0108270103006097

0.71073

MoKα

0.1024

0.0543

null

0.1147

0.1341

null

1.021

null

has coordinates,has disorder,has Fobs

Wheeler, Kraig A. (±)-5-(4-Methoxyphenylaminocarbonyl)-1-azabicyclo[3.3.0]octan-2-one benzene solvate Acta Crystallographica Section C 59(5) (2003) o231-o233

301,798

2025-08-19

6:42:14

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2,013,283

32.7581

0.001

5.9616

0.0002

13.3424

0.0005

90

null

104.285

0.0013

90

null

2,525.08

0.15

293

2

293

2

null

4

C 1 2/c 1

-C 2yc

15

dimethyl ferrocene-1,1'-dicarboxylate

- C14 H14 Fe O4 -

- C112 H112 Fe8 O32 -

8

1

GD1249

Cetina, Mario; Jukić, Marijana; Rapić, Vladimir; Golobič, Amalija

Ferrocene compounds. XXXVIII. Dimethyl ferrocene-1,1'-dicarboxylate

Acta Crystallographica Section C

2,003

59

6

m212

m214

10.1107/S0108270103008503

0.71073

MoKα

0.0625

0.0464

null

0.1283

0.1412

null

1.025

null

has coordinates,has Fobs

Cetina, Mario; Jukić, Marijana; Rapić, Vladimir; Golobič, Amalija Ferrocene compounds. XXXVIII. Dimethyl ferrocene-1,1'-dicarboxylate Acta Crystallographica Section C 59(6) (2003) m212-m214

176,760

2020-10-21

18:00:00

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2,013,284

16.9296

0.0009

9.3433

0.0005

7.3389

0.0015

90

null

90

null

90

null

1,160.9

0.3

293

2

293

2

null

6

P n a 21

P 2c -2n

33

Benzo-1,3-thiazole-6-carboxamidinium chloride dihydrate

- C8 H12 Cl N3 O2 S -

- C32 H48 Cl4 N12 O8 S4 -

4

1

GG1150

Matković-Čalogović, Dubravka; Popović, Zora; Tralić-Kulenović, Vesna; Racanè, Livio; Karminski-Zamola, Grace

1,3-Benzothiazole-6-carboxamidinium chloride dihydrate

Acta Crystallographica Section C

2,003

59

4

o190

o191

10.1107/S0108270103001574

0.71073

MoKα

0.0405

0.0323

null

0.0769

0.0812

null

1.057

null

has coordinates,has Fobs

Matković-Čalogović, Dubravka; Popović, Zora; Tralić-Kulenović, Vesna; Racanè, Livio; Karminski-Zamola, Grace 1,3-Benzothiazole-6-carboxamidinium chloride dihydrate Acta Crystallographica Section C 59(4) (2003) o190-o191

301,798

2025-08-19

6:42:14

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2,013,285

6.027

0.002

12.901

0.004

12.49

0.003

90

null

103.96

0.03

90

null

942.5

0.5

293

2

null

6

P 1 21/c 1

-P 2ybc

14

N-fluoropyridinium triflate

- C6 H5 F4 N O3 S -

- C24 H20 F16 N4 O12 S4 -

4

1

GG1153

Banks, R. Eric; Besheesh, Mohamed K.; Pritchard, Robin G.

N-Fluoropyridinium trifluoromethanesulfonate and 1-fluoro-2,4,6-trimethoxy-1,3,5-triazinium hexafluoroantimonate: the first experimental determination of the F—N^+^ bond length involving sp^2^ nitrogen

Acta Crystallographica Section C

2,003

59

4

m141

m143

10.1107/S0108270103001689

0.71073

MoKα

null

0.045

null

0.149

null

1.005

null

has coordinates,has Fobs

Banks, R. Eric; Besheesh, Mohamed K.; Pritchard, Robin G. N-Fluoropyridinium trifluoromethanesulfonate and 1-fluoro-2,4,6-trimethoxy-1,3,5-triazinium hexafluoroantimonate: the first experimental determination of the F—N^+^ bond length involving sp^2^ nitrogen Acta Crystallographica Section C 59(4) (2003) ...

301,798

2025-08-19

6:42:14

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2,013,286

7.616

0.002

11.843

0.003

14.924

0.003

90

null

97.43

0.02

90

null

1,334.8

0.6

203

2

null

6

P 1 21/n 1

-P 2yn

14

1-fluoro-2,4,6-trimethoxy-1,3,5-triazinium hexafluoroantimonate

- C6 H9 F7 N3 O3 Sb -

- C24 H36 F28 N12 O12 Sb4 -

4

1

GG1153

Banks, R. Eric; Besheesh, Mohamed K.; Pritchard, Robin G.; 1-fluoro-2,4,6-trimethoxy-1,3,5-triazinium hexafluoroantimonate

N-Fluoropyridinium trifluoromethanesulfonate and 1-fluoro-2,4,6-trimethoxy-1,3,5-triazinium hexafluoroantimonate: the first experimental determination of the F—N^+^ bond length involving sp^2^ nitrogen

Acta Crystallographica Section C

2,003

59

4

m141

m143

10.1107/S0108270103001689

0.71073

MoKα

null

0.034

null

0.071

null

1.056

null

has coordinates,has Fobs

Banks, R. Eric; Besheesh, Mohamed K.; Pritchard, Robin G.; 1-fluoro-2,4,6-trimethoxy-1,3,5-triazinium hexafluoroantimonate N-Fluoropyridinium trifluoromethanesulfonate and 1-fluoro-2,4,6-trimethoxy-1,3,5-triazinium hexafluoroantimonate: the first experimental determination of the F—N^+^ bond length involving ...

201,957

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-10-13 03:48:21 +0300 (Fri, 13 Oct 2017) $ #$Revision: 201957 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/32/2013286.cif $ #-------------------------------------------------------------------...

2,013,287

7.6194

0.0002

19.3531

0.0006

10.3668

0.0004

90

null

107.905

0.001

90

null

1,454.64

0.08

150

2

null

5

P 1 21/c 1

-P 2ybc

14

perhydrate aluminium oxalate system

- C6 H4 Al K3 O15.75 -

- C24 H16 Al4 K12 O63 -

4

1

GG1158

Chohan, Sunil; Pritchard, Robin G.

Tripotassium tris(oxalato-κ^2^O,O')aluminate bis(hydrogen peroxide) hydrate, the first example of a cyclic hydrogen-bonded H~2~O~2~ dimer

Acta Crystallographica Section C

2,003

59

5

m187

m189

10.1107/S0108270103006905

0.71073

MoKα

null

0.0442

null

0.0879

null

1.092

null

has coordinates,has disorder

Chohan, Sunil; Pritchard, Robin G. Tripotassium tris(oxalato-κ^2^O,O')aluminate bis(hydrogen peroxide) hydrate, the first example of a cyclic hydrogen-bonded H~2~O~2~ dimer Acta Crystallographica Section C 59(5) (2003) m187-m189

176,760

2020-10-21

18:00:00

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2,013,288

10.3274

0.0008

9.6764

0.0007

12.3385

0.001

90

null

95.88

0.002

90

null

1,226.52

0.16

294

2

294

2

null

5

P 1 21/n 1

-P 2yn

14

Dibromo-[N,N-di(pyrid-2-yl)amine]-palladium(II)

- C10 H9 Br2 N3 Pd -

- C40 H36 Br8 N12 Pd4 -

4

1

GG1159

Wen-Rui Yao; Ze-Hua Liu; Qian-Feng Zhang

Dibromo(N,N'-di-2-pyridylamine-κ^2^N,N')palladium(II)

Acta Crystallographica Section C

2,003

59

4

m139

m140

10.1107/S0108270103004578

0.71073

MoKα

0.0409

0.0324

null

0.0884

0.0933

null

1.033

null

has coordinates

Wen-Rui Yao; Ze-Hua Liu; Qian-Feng Zhang Dibromo(N,N'-di-2-pyridylamine-κ^2^N,N')palladium(II) Acta Crystallographica Section C 59(4) (2003) m139-m140

176,432

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176432 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/32/2013288.cif $ #-------------------------------------------------------------------...

2,013,289

17.7179

0.0013

11.2784

0.0008

18.4455

0.0013

90

null

112.41

0.002

90

null

3,407.6

0.4

294

2

294

2

null

7

C 1 c 1

C -2yc

9

(η^6^-p-cymene)[(η^2^-diphenylphosphino-tetrafluroborate-P,F) (η^1^-diphenylphosphinoyl-tetrafluroborate-O)]ruthenium(II)

- C34 H34 B2 F8 O P2 Ru -

- C136 H136 B8 F32 O4 P8 Ru4 -

4

1

GG1160

Wen-Rui Yao; Ze-Hua Liu; Qian-Feng Zhang

An arene‒ruthenium(II) complex containing novel hybrid phosphinofluoro ligands

Acta Crystallographica Section C

2,003

59

4

m156

m158

10.1107/S0108270103005808

0.71073

MoKα

0.0494

0.0434

null

0.0949

0.0979

null

1.082

null

has coordinates,has Fobs

Wen-Rui Yao; Ze-Hua Liu; Qian-Feng Zhang An arene‒ruthenium(II) complex containing novel hybrid phosphinofluoro ligands Acta Crystallographica Section C 59(4) (2003) m156-m158

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/32/2013289.cif $ #-------------------------------------------------------------------...

2,013,290

7.363

0.001

8.676

0.002

11.048

0.002

74.21

0.03

80.33

0.03

85.47

0.03

669.1

0.2

293

2

293

2

null

5

P -1

-P 1

2

dichloro tin phthalocyanine

dichloro(phthalocyaninato(2-))tin(IV)

- C32 H16 Cl2 N8 Sn -

1

0.5

GG1161

Jan Janczak; Ryszard Kubiak

Two isomorphous complexes: dichloro[phthalocyaninato(2‒)]tin(IV) and dichloro[phthalocyaninato(2‒)]germanium(IV)

Acta Crystallographica Section C

2,003

59

6

m237

m240

10.1107/S0108270103009417

0.71073

MoKα

0.0359

0.0302

null

0.0767

0.0784

null

1.006

null

has coordinates

Jan Janczak; Ryszard Kubiak Two isomorphous complexes: dichloro[phthalocyaninato(2‒)]tin(IV) and dichloro[phthalocyaninato(2‒)]germanium(IV) Acta Crystallographica Section C 59(6) (2003) m237-m240

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/32/2013290.cif $ #-------------------------------------------------------------------...

2,013,291

7.365

0.001

8.704

0.002

10.966

0.002

73.85

0.03

80.61

0.03

86.39

0.03

666.1

0.2

293

2

293

2

null

5

P -1

-P 1

2

dichlorphthalocyanine germanium

dichloro(phthalocyaninato(2-))germanium(IV)

- C32 H16 Cl2 Ge N8 -

1

0.5

GG1161

Jan Janczak; Ryszard Kubiak

Two isomorphous complexes: dichloro[phthalocyaninato(2‒)]tin(IV) and dichloro[phthalocyaninato(2‒)]germanium(IV)

Acta Crystallographica Section C

2,003

59

6

m237

m240

10.1107/S0108270103009417

0.71073

MoKα

0.0866

0.0533

null

0.1315

0.1511

null

1.063

null

has coordinates,has Fobs

Jan Janczak; Ryszard Kubiak Two isomorphous complexes: dichloro[phthalocyaninato(2‒)]tin(IV) and dichloro[phthalocyaninato(2‒)]germanium(IV) Acta Crystallographica Section C 59(6) (2003) m237-m240

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/32/2013291.cif $ #-------------------------------------------------------------------...

2,013,292

9.124

0.002

14.81

0.003

10.233

0.002

90

null

98.5

0.03

90

null

1,367.6

0.5

293

2

293

2

null

5

P 1 21/n 1

-P 2yn

14

phthalocyanine germanium

dichloro(phthalocyaninato(2-))germanium(IV)

- C32 H16 Cl2 Ge N8 -

- C64 H32 Cl4 Ge2 N16 -

2

0.5

GG1161

Jan Janczak; Ryszard Kubiak

Two isomorphous complexes: dichloro[phthalocyaninato(2‒)]tin(IV) and dichloro[phthalocyaninato(2‒)]germanium(IV)

Acta Crystallographica Section C

2,003

59

6

m237

m240

10.1107/S0108270103009417

0.71073

MoKα

0.0846

0.0436

null

0.0912

0.0976

null

1.024

null

has coordinates,has Fobs

Jan Janczak; Ryszard Kubiak Two isomorphous complexes: dichloro[phthalocyaninato(2‒)]tin(IV) and dichloro[phthalocyaninato(2‒)]germanium(IV) Acta Crystallographica Section C 59(6) (2003) m237-m240

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/32/2013292.cif $ #-------------------------------------------------------------------...

2,013,293

15.6658

0.0002

18.1538

0.0003

17.2513

0.0003

90

null

90.2397

0.0006

90

null

4,906.12

0.13

160

1

160

1

null

5

P 1 21/n 1

-P 2yn

14

Dimethyl (2RS)-2,3-diphenyl-1,3-thiazolidine-5-spiro-2'-adamantane-4,4-dicarboxylate methanol solvate

- C23.275 H32.1 N O4.275 S -

- C28.275 H32.1 N O4.275 S -

- C226.2 H256.8 N8 O34.2 S8 -

8

2

GG1163

Domagała, Małgorzata; Linden, Anthony; Olszak, Tomasz A.; Mlostoń, Grzegorz; Heimgartner, Heinz

1,3-Thiazolidine derivatives from regioselective [2+3]-cycloadditions of azomethine ylides with thioketones

Acta Crystallographica Section C

2,003

59

5

o250

o253

10.1107/S0108270103006504

0.71073

MoKα

0.0798

0.0453

null

0.0968

0.1103

null

1.022

null

has coordinates,has Fobs

Domagała, Małgorzata; Linden, Anthony; Olszak, Tomasz A.; Mlostoń, Grzegorz; Heimgartner, Heinz 1,3-Thiazolidine derivatives from regioselective [2+3]-cycloadditions of azomethine ylides with thioketones Acta Crystallographica Section C 59(5) (2003) o250-o253

211,332

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2018-10-05 15:19:55 +0300 (Fri, 05 Oct 2018) $ #$Revision: 211332 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/32/2013293.cif $ #-------------------------------------------------------------------...

2,013,294

9.817

0.001

11.233

0.002

12.459

0.002

102.53

0.01

97.91

0.01

98.52

0.01

1,305.7

0.4

293

2

293

2

null

5

P -1

-P 1

2

dimethyl (4RS)-3,4-diphenyl-1,3-thiazolidine-5-spiro-9'-[9H]fluorene-2,2-dicarboxylate

- C31 H25 N O4 S -

- C62 H50 N2 O8 S2 -

2

1

GG1163

Domagała, Małgorzata; Linden, Anthony; Olszak, Tomasz A.; Mlostoń, Grzegorz; Heimgartner, Heinz

1,3-Thiazolidine derivatives from regioselective [2+3]-cycloadditions of azomethine ylides with thioketones

Acta Crystallographica Section C

2,003

59

5

o250

o253

10.1107/S0108270103006504

0.71073

MoKα

0.0602

0.0362

null

0.1169

0.121

null

1.058

null

has coordinates,has Fobs

Domagała, Małgorzata; Linden, Anthony; Olszak, Tomasz A.; Mlostoń, Grzegorz; Heimgartner, Heinz 1,3-Thiazolidine derivatives from regioselective [2+3]-cycloadditions of azomethine ylides with thioketones Acta Crystallographica Section C 59(5) (2003) o250-o253

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/32/2013294.cif $ #-------------------------------------------------------------------...

2,013,295

10.5939

0.0003

11.7359

0.0003

16.9528

0.0004

90

null

101.666

0.001

90

null

2,064.18

0.09

173

2

173

2

null

5

P 1 21/c 1

-P 2ybc

14

jb72

[Tetraethylammonium][7-dimethylsulphide-nido-dodecahydroundecaborate]

- C10 H38 B11 N S -

- C40 H152 B44 N4 S4 -

4

1

GG1164

Bould, Jonathan; Kivekäs, Raikko; Sillanpää, Reijo; Teixidor, Francesc; Viñas, Clara

[Et~4~N][7-Me~2~S-nido-B~11~H~12~]

Acta Crystallographica Section C

2,003

59

5

o271

o273

10.1107/S010827010300698X

0.71073

MoKα

0.0631

0.0416

null

0.0875

0.0962

null

1.032

null

has coordinates,has Fobs

Bould, Jonathan; Kivekäs, Raikko; Sillanpää, Reijo; Teixidor, Francesc; Viñas, Clara [Et~4~N][7-Me~2~S-nido-B~11~H~12~] Acta Crystallographica Section C 59(5) (2003) o271-o273

176,432

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176432 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/32/2013295.cif $ #-------------------------------------------------------------------...

2,013,296

19.917

0.003

19.917

0.003

15.608

0.003

90

null

90

null

120

null

5,362

1.5

200

2

200

2

null

5

R -3 :H

-R 3

148

Bis(borato)dodeca(tert-butoxo)octadecalithium

- C48 H108 B2 Li18 O18 -

- C144 H324 B6 Li54 O54 -

3

0.166667

GG1167

Tombul, Mustafa; Errington, R. John; Coxall, Robert A.; Clegg, William

An alkoxide cluster with 18 Li^+^ ions encapsulating two borate anions, [(^t^BuO)~12~Li~18~(BO~3~)~2~]

Acta Crystallographica Section C

2,003

59

6

m231

m233

10.1107/S0108270103009636

0.71073

MoKα

0.1519

0.0782

null

0.1256

0.1526

null

1.132

null

has coordinates,has Fobs

Tombul, Mustafa; Errington, R. John; Coxall, Robert A.; Clegg, William An alkoxide cluster with 18 Li^+^ ions encapsulating two borate anions, [(^t^BuO)~12~Li~18~(BO~3~)~2~] Acta Crystallographica Section C 59(6) (2003) m231-m233

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/32/2013296.cif $ #-------------------------------------------------------------------...

2,013,297

7.377

0.001

7.424

0.001

8.934

0.001

80.07

0.01

80.97

0.01

76.15

0.01

464.51

0.11

296

2

296

2

null

4

P -1

-P 1

2

Pyromellitic acid–dimethyl sulfoxide (1/2)

- C14 H18 O10 S2 -

1

0.5

JZ1542

Zhi Min Jin; Yuan Jian Pan; Liang Shen; Mei Chao Li; Mao Lin Hu

Ribbons of hydrogen-bonded rings in the 1:2 complex of pyromellitic acid and dimethyl sulfoxide

Acta Crystallographica Section C

2,003

59

4

o205

o206

10.1107/S0108270103004530

0.71073

MoKα

0.037

0.0319

null

0.0838

0.0858

null

1.046

null

has coordinates,has Fobs

Zhi Min Jin; Yuan Jian Pan; Liang Shen; Mei Chao Li; Mao Lin Hu Ribbons of hydrogen-bonded rings in the 1:2 complex of pyromellitic acid and dimethyl sulfoxide Acta Crystallographica Section C 59(4) (2003) o205-o206

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/32/2013297.cif $ #-------------------------------------------------------------------...

2,013,298

6.5261

0.0008

7.0683

0.0009

18.417

0.002

90

null

90.418

0.01

90

null

849.52

0.18

293

2

293

2

null

4

P 1 21/c 1

-P 2ybc

14

copper acetylenedicarboxylate tetrahydrate

catena-poly[[[triaquacopper(II)]-μ-acetylenedicarboxylato-κ^2^O:O''] hydrate]

- C4 H8 Cu O8 -

- C16 H32 Cu4 O32 -

4

1

JZ1547

Billetter, Heinrich; Hohn, Frauke; Pantenburg, Ingo; Ruschewitz, Uwe

[Cu{C~2~(COO)~2~}(H~2~O)~3~]·H~2~O, the first copper complex of acetylenedicarboxylic acid

Acta Crystallographica Section C

2,003

59

4

m130

m131

10.1107/S0108270103003469

0.71073

MoKα

0.0481

0.0288

null

0.0644

0.0692

null

0.927

null

has coordinates,has Fobs

Billetter, Heinrich; Hohn, Frauke; Pantenburg, Ingo; Ruschewitz, Uwe [Cu{C~2~(COO)~2~}(H~2~O)~3~]·H~2~O, the first copper complex of acetylenedicarboxylic acid Acta Crystallographica Section C 59(4) (2003) m130-m131

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/32/2013298.cif $ #-------------------------------------------------------------------...

2,013,299

8.682

0.002

7.8835

0.0016

8.998

0.003

90

null

118.088

0.018

90

null

543.3

0.3

293

2

293

2

null

4

P 1 21 1

P 2yb

4

- C9 H14 N4 O4 -

- C18 H28 N8 O8 -

2

1

JZ1548

Seela, Frank; He, Yang; Eickmeier, Henning

5-Methyl-6-aza-2'-deoxyisocytidine

Acta Crystallographica Section C

2,003

59

4

o194

o196

10.1107/S0108270103004827

0.71073

MoKα

0.037

0.0363

null

0.1037

0.1051

null

1.07

null

has coordinates,has Fobs

Seela, Frank; He, Yang; Eickmeier, Henning 5-Methyl-6-aza-2'-deoxyisocytidine Acta Crystallographica Section C 59(4) (2003) o194-o196

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/32/2013299.cif $ #-------------------------------------------------------------------...

2,013,300

13.7073

0.0008

16.578

0.0009

20.0237

0.0011

68.135

0.001

82.695

0.001

73.925

0.001

4,056.3

0.4

190

2

190

2

null

5

P -1

-P 1

2

- C69 H66 B8 Cl16 O5 -

- C67 H62 B8 Cl12 O5 -

- C134 H124 B16 Cl24 O10 -

2

1

JZ1549

Bayer, Michael J.; Pritzkow, Hans; Siebert, Walter

A `tetrameric' 3,4-di-p-tolyl-1,2,5-oxadiborole derivative

Acta Crystallographica Section C

2,003

59

5

o257

o258

10.1107/S0108270103004542

0.71073

MoKα

0.0897

0.0628

null

0.1936

0.2143

null

1.165

null

has coordinates,has Fobs

Bayer, Michael J.; Pritzkow, Hans; Siebert, Walter A `tetrameric' 3,4-di-p-tolyl-1,2,5-oxadiborole derivative Acta Crystallographica Section C 59(5) (2003) o257-o258

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/33/2013300.cif $ #-------------------------------------------------------------------...

2,013,301

15.526

0.004

3.6482

0.0009

25.797

0.006

90

null

92.519

0.006

90

null

1,459.8

0.6

293

2

293

2

null

5

P 1 21/n 1

-P 2yn

14

Bis(cyanoguanidine)silver(I) nitrate cyanoguanidine

- C6 H12 Ag N13 O3 -

- C24 H48 Ag4 N52 O12 -

4

1

JZ1551

Dronskowski, Richard; Liu, Xiaohui

Bis(cyanoguanidine)silver(I) nitrate–cyanoguanidine (1/1)

Acta Crystallographica Section C

2,003

59

6

m243

m245

10.1107/S0108270103008357

0.71073

MoKα

0.1398

0.0646

null

0.1577

0.2061

null

0.871

null

has coordinates,has Fobs

Dronskowski, Richard; Liu, Xiaohui Bis(cyanoguanidine)silver(I) nitrate–cyanoguanidine (1/1) Acta Crystallographica Section C 59(6) (2003) m243-m245

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/33/2013301.cif $ #-------------------------------------------------------------------...

2,013,302

8.123

0.002

8.123

0.002

23.502

0.006

90

null

90

null

90

null

1,550.7

0.7

173

2

173

2

null

3

P 43 21 2

P 4nw 2abw

96

2-(1H-pyrrol-2-yl)pyridine

- C9 H8 N2 -

- C72 H64 N16 -

8

1

KB1000

Noland, Wayland E.; Cole, Kevin P.; Britton, Doyle

Five (1H-pyrrol-2-yl)pyridines

Acta Crystallographica Section C

2,003

59

5

o263

o267

10.1107/S0108270103007042

0.71073

MoKα

0.048

0.044

null

0.098

0.1

null

1.16

null

has coordinates,has Fobs

Noland, Wayland E.; Cole, Kevin P.; Britton, Doyle Five (1H-pyrrol-2-yl)pyridines Acta Crystallographica Section C 59(5) (2003) o263-o267

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/33/2013302.cif $ #-------------------------------------------------------------------...

2,013,303

5.3537

0.0013

11.654

0.003

11.99

0.003

90

null

98.1

0.01

90

null

740.6

0.3

174

2

174

2

null

3

P 1 21/n 1

-P 2yn

14

3-(1H-pyrrol-2-yl)pyridine

- C9 H8 N2 -

- C36 H32 N8 -

4

1

KB1000

Noland, Wayland E.; Cole, Kevin P.; Britton, Doyle

Five (1H-pyrrol-2-yl)pyridines

Acta Crystallographica Section C

2,003

59

5

o263

o267

10.1107/S0108270103007042

0.71073

MoKα

0.069

0.044

null

0.104

0.114

null

1.02

null

has coordinates,has Fobs

Noland, Wayland E.; Cole, Kevin P.; Britton, Doyle Five (1H-pyrrol-2-yl)pyridines Acta Crystallographica Section C 59(5) (2003) o263-o267

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/33/2013303.cif $ #-------------------------------------------------------------------...

2,013,304

7.402

0.002

11.48

0.003

17.705

0.004

90

null

96.23

0.01

90

null

1,495.6

0.7

173

2

173

2

null

3

P 1 21/n 1

-P 2yn

14

4-(1H-pyrrol-2-yl)pyridine

- C9 H8 N2 -

- C72 H64 N16 -

8

2

KB1000

Noland, Wayland E.; Cole, Kevin P.; Britton, Doyle

Five (1H-pyrrol-2-yl)pyridines

Acta Crystallographica Section C

2,003

59

5

o263

o267

10.1107/S0108270103007042

0.71073

MoKα

0.096

0.047

null

0.103

0.118

null

0.92

null

has coordinates,has Fobs

Noland, Wayland E.; Cole, Kevin P.; Britton, Doyle Five (1H-pyrrol-2-yl)pyridines Acta Crystallographica Section C 59(5) (2003) o263-o267

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/33/2013304.cif $ #-------------------------------------------------------------------...

2,013,305

15.139

0.004

5.4945

0.0014

18.736

0.005

90

null

103.76

0.01

90

null

1,513.8

0.7

173

2

173

2

null

3

P 1 21/c 1

-P 2ybc

14

4-(1H-pyrrol-2-yl)pyridine

- C9 H8 N2 -

- C72 H64 N16 -

8

2

KB1000

Noland, Wayland E.; Cole, Kevin P.; Britton, Doyle

Five (1H-pyrrol-2-yl)pyridines

Acta Crystallographica Section C

2,003

59

5

o263

o267

10.1107/S0108270103007042

0.71073

MoKα

0.079

0.047

null

0.098

null

1.03

null

has coordinates,has Fobs

Noland, Wayland E.; Cole, Kevin P.; Britton, Doyle Five (1H-pyrrol-2-yl)pyridines Acta Crystallographica Section C 59(5) (2003) o263-o267

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/33/2013305.cif $ #-------------------------------------------------------------------...

2,013,306

5.1519

0.0013

19.739

0.005

14.694

0.004

90

null

95.26

0.01

90

null

1,488

0.7

173

2

173

2

null

3

P 1 21/c 1

-P 2ybc

14

4-(1H-pyrrol-2-yl)pyridine

- C9 H8 N2 -

- C72 H64 N16 -

8

2

KB1000

Noland, Wayland E.; Cole, Kevin P.; Britton, Doyle

Five (1H-pyrrol-2-yl)pyridines

Acta Crystallographica Section C

2,003

59

5

o263

o267

10.1107/S0108270103007042

0.71073

MoKα

0.098

0.058

null

0.1

0.111

null

1.09

null

has coordinates,has disorder,has Fobs

Noland, Wayland E.; Cole, Kevin P.; Britton, Doyle Five (1H-pyrrol-2-yl)pyridines Acta Crystallographica Section C 59(5) (2003) o263-o267

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/33/2013306.cif $ #-------------------------------------------------------------------...

2,013,307

7.522

0.002

20.367

0.003

11.264

0.002

90

null

103.76

0.02

90

null

1,676.1

0.6

293

2

293

2

null

4

P 1 21/c 1

-P 2ybc

14

2,6-bis(2-benzimidazolyl) pyridine, hydrate

- C19 H15 N5 O -

- C76 H60 N20 O4 -

4

1

KB1001

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

Two hydrates of 2,6-bis(1H-benzimidazol-2-yl)pyridine

Acta Crystallographica Section C

2,003

59

5

o259

o262

10.1107/S0108270103006668

0.71073

MoKα

0.0873

0.0481

null

0.1037

0.1191

null

0.911

null

has coordinates,has Fobs

Eleonora Freire; Sergio Baggio; Muñoz, Juan Carlos; Ricardo Baggio Two hydrates of 2,6-bis(1H-benzimidazol-2-yl)pyridine Acta Crystallographica Section C 59(5) (2003) o259-o262

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/33/2013307.cif $ #-------------------------------------------------------------------...

2,013,308

18.813

0.002

18.417

0.002

10.322

0.002

90

null

104.81

0.02

90

null

3,457.5

0.9

293

2

293

2

null

4

P 1 21/c 1

-P 2ybc

14

2,6-bis(2-benzimidazolyl) pyridine, 1.5 hydrate

- C19 H16 N5 O1.5 -

- C152 H128 N40 O12 -

8

2

KB1001

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

Two hydrates of 2,6-bis(1H-benzimidazol-2-yl)pyridine

Acta Crystallographica Section C

2,003

59

5

o259

o262

10.1107/S0108270103006668

0.71073

MoKα

0.1309

0.046

null

0.0677

0.087

null

0.881

null

has coordinates,has Fobs

Eleonora Freire; Sergio Baggio; Muñoz, Juan Carlos; Ricardo Baggio Two hydrates of 2,6-bis(1H-benzimidazol-2-yl)pyridine Acta Crystallographica Section C 59(5) (2003) o259-o262

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/33/2013308.cif $ #-------------------------------------------------------------------...

2,013,309

10.801

0.002

10.609

0.002

10.774

0.002

90

null

119.6

0.03

90

null

1,073.5

0.5

293

2

293

2

null

5

P 1 21/c 1

-P 2ybc

14

1,3-propanediammonium tetrathiotungstate

- C3 H12 N2 S4 W -

- C12 H48 N8 S16 W4 -

4

1

LN1158

Srinivasan, Bikshandarkoil R.; Dhuri, Sunder N.; Näther, Christian; Bensch, Wolfgang

1,3-Propanediammonium tetrathiotungstate and N,N,N',N'-tetramethylethylenediammonium tetrathiotungstate

Acta Crystallographica Section C

2,003

59

4

m124

m127

10.1107/S0108270103002543

0.71073

MoKα

0.0352

0.0237

null

0.0582

0.0611

null

1.043

null

has coordinates

Srinivasan, Bikshandarkoil R.; Dhuri, Sunder N.; Näther, Christian; Bensch, Wolfgang 1,3-Propanediammonium tetrathiotungstate and N,N,N',N'-tetramethylethylenediammonium tetrathiotungstate Acta Crystallographica Section C 59(4) (2003) m124-m127

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/33/2013309.cif $ #-------------------------------------------------------------------...

2,013,310

8.5916

0.0011

12.3365

0.001

13.3799

0.0009

90

null

101.113

0.008

90

null

1,391.5

0.2

293

2

293

2

null

5

P 1 21/n 1

-P 2yn

14

N,N,N',N'-tetramethylethylenediammonium tetrathiotungstate

- C6 H18 N2 S4 W -

- C24 H72 N8 S16 W4 -

4

1

LN1158

Srinivasan, Bikshandarkoil R.; Dhuri, Sunder N.; Näther, Christian; Bensch, Wolfgang

1,3-Propanediammonium tetrathiotungstate and N,N,N',N'-tetramethylethylenediammonium tetrathiotungstate

Acta Crystallographica Section C

2,003

59

4

m124

m127

10.1107/S0108270103002543

0.71073

MoKα

0.0451

0.0272

null

0.0655

0.0693

null

1.068

null

has coordinates

Srinivasan, Bikshandarkoil R.; Dhuri, Sunder N.; Näther, Christian; Bensch, Wolfgang 1,3-Propanediammonium tetrathiotungstate and N,N,N',N'-tetramethylethylenediammonium tetrathiotungstate Acta Crystallographica Section C 59(4) (2003) m124-m127

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/33/2013310.cif $ #-------------------------------------------------------------------...

2,013,311

13.719

0.002

20.817

0.003

17.39

0.002

90

null

94.132

0.011

90

null

4,953.5

1.2

296

2

null

8

P 1 21/n 1

-P 2yn

14

- C56 H39 F6 Mn N4 O3 P Sb -

- C224 H156 F24 Mn4 N16 O12 P4 Sb4 -

4

1

LN1160

Munro, Orde Q.; Camp, Greville L.

The first phosphite complex of a metalloporphyrin

Acta Crystallographica Section C

2,003

59

4

m132

m135

10.1107/S0108270103004384

0.71073

MoKα

null

0.0589

null

0.2017

null

1.12

null

has coordinates,has disorder,has Fobs

Munro, Orde Q.; Camp, Greville L. The first phosphite complex of a metalloporphyrin Acta Crystallographica Section C 59(4) (2003) m132-m135

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/33/2013311.cif $ #-------------------------------------------------------------------...

2,013,312

10.7908

0.001

12.8626

0.001

6.8482

0.001

90

null

97.932

0.012

90

null

941.42

0.18

150

2

150

2

null

5

P 1 21/c 1

-P 2ybc

14

Hexaaquanickel diorotate(1-) dihydrate

hexaaquanickel bis(2,4-dihydroxypyrimidine-6-carboxylate) dihydrate

- C10 H22 N4 Ni O16 -

- C20 H44 N8 Ni2 O32 -

2

0.5

LN1162

Larry R. Falvello; Daniel Ferrer; Tatiana Soler; Milagros Tomás

Hexaaquanickel diorotate(1–) dihydrate at 150K

Acta Crystallographica Section C

2,003

59

4

m149

m151

10.1107/S0108270103004773

0.71073

MoKα

0.0752

0.0472

null

0.1057

0.1188

null

0.999

null

has coordinates,has Fobs

Larry R. Falvello; Daniel Ferrer; Tatiana Soler; Milagros Tomás Hexaaquanickel diorotate(1–) dihydrate at 150K Acta Crystallographica Section C 59(4) (2003) m149-m151

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/33/2013312.cif $ #-------------------------------------------------------------------...

2,013,313

7.4958

0.0006

7.1942

0.0006

20.7522

0.0018

90

null

90

null

90

null

1,119.09

0.16

100

2

100

2

null

5

P b c a

-P 2ac 2ab

61

palladium-ethylxanthate

bis(O-ethyl dithiocarbonato)palladium(II)

- C6 H10 O2 Pd S4 -

- C24 H40 O8 Pd4 S16 -

4

0.5

LN1165

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

Bis(O-ethyl dithiocarbonato-κ^2^S,S')palladium(II)

Acta Crystallographica Section C

2,003

59

5

m199

m200

10.1107/S0108270103007406

0.71073

MoKα

0.0384

0.0257

null

0.0545

0.0569

null

0.923

null

has coordinates,has Fobs

Ara, Irene; El Bahij, Fatima; Lachkar, Mohamed; Ben Larbi, Najib Bis(O-ethyl dithiocarbonato-κ^2^S,S')palladium(II) Acta Crystallographica Section C 59(5) (2003) m199-m200

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/33/2013313.cif $ #-------------------------------------------------------------------...

2,013,314

7.17

0.002

8.965

0.002

10.827

0.002

76.35

0.02

74.38

0.02

69.86

0.02

621.3

0.3

296.2

null

5

P -1

-P 1

2

- C22 H28 Co N2 O10 -

1

0.5

LN1166

Okabe, Nobuo; Muranishi, Yasunori

Cobalt(II) and nickel(II) complexes of quinoline-2-carboxylate

Acta Crystallographica Section C

2,003

59

6

m228

m230

10.1107/S0108270103008722

0.7107

MoKα

null

0.0463

null

0.1291

null

1.039

null

has coordinates

Okabe, Nobuo; Muranishi, Yasunori Cobalt(II) and nickel(II) complexes of quinoline-2-carboxylate Acta Crystallographica Section C 59(6) (2003) m228-m230

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/33/2013314.cif $ #-------------------------------------------------------------------...

2,013,315

7.127

0.002

8.909

0.003

10.769

0.002

76.74

0.02

74.39

0.01

70.66

0.02

613.9

0.3

296.2

null

5

P -1

-P 1

2

- C22 H28 N2 Ni O10 -

1

0.5

LN1166

Okabe, Nobuo; Muranishi, Yasunori

Cobalt(II) and nickel(II) complexes of quinoline-2-carboxylate

Acta Crystallographica Section C

2,003

59

6

m228

m230

10.1107/S0108270103008722

0.7107

MoKα

null

0.0378

null

0.1111

null

1.039

null

has coordinates

Okabe, Nobuo; Muranishi, Yasunori Cobalt(II) and nickel(II) complexes of quinoline-2-carboxylate Acta Crystallographica Section C 59(6) (2003) m228-m230

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/33/2013315.cif $ #-------------------------------------------------------------------...

2,013,316

13.236

0.001

10.799

0.004

21.775

0.004

90

null

91.393

0.003

90

null

3,111.5

1.3

293

2

293

2

null

4

C 1 2/c 1

-C 2yc

15

Bis(6-chloroflavanone-3-yloxy)-o-xylene

3,3'-[o-Phenylenebis(methyleneoxy)]bis(6-chloro-2-phenylflavanone)

- C38 H24 Cl2 O6 -

- C152 H96 Cl8 O24 -

4

0.5

NA1583

Thinagar, S.; Velmurugan, D.; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Gupta, S. C.; Merazig, H.; Bouacida, S.

3,3'-[o-Phenylenebis(methyleneoxy)]bis(6-chloroflavone) and 3,3'-propylenedioxybis[6-chloro-2-(2-furyl)-4H-1-benzopyran-4-one]

Acta Crystallographica Section C

2,003

59

4

o181

o183

10.1107/S0108270103002361

0.71073

MoKα

0.1929

0.0538

null

0.1507

0.2298

null

1

null

has coordinates,has Fobs

Thinagar, S.; Velmurugan, D.; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Gupta, S. C.; Merazig, H.; Bouacida, S. 3,3'-[o-Phenylenebis(methyleneoxy)]bis(6-chloroflavone) and 3,3'-propylenedioxybis[6-chloro-2-(2-furyl)-4H-1-benzopyran-4-one] Acta Crystallographica Section C 59(4) (2003) o181-o183

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/33/2013316.cif $ #-------------------------------------------------------------------...

2,013,317

15.0485

0.0002

7.6144

0.0001

20.789

0.0002

90

null

100.784

0.001

90

null

2,340.04

0.05

293

2

293

2

null

4

P 1 21/n 1

-P 2yn

14

Bis(6-chloro-2-furyl-4-chromanone-3-yloxy)propane

3,3'-Propylenedioxybis[6-chloro-2-(2-furyl)flavanone]

- C29 H18 Cl2 O8 -

- C116 H72 Cl8 O32 -

4

1

NA1583

Thinagar, S.; Velmurugan, D.; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Gupta, S. C.; Merazig, H.; Bouacida, S.

3,3'-[o-Phenylenebis(methyleneoxy)]bis(6-chloroflavone) and 3,3'-propylenedioxybis[6-chloro-2-(2-furyl)-4H-1-benzopyran-4-one]

Acta Crystallographica Section C

2,003

59

4

o181

o183

10.1107/S0108270103002361

0.71073

MoKα

0.089

0.054

null

0.138

0.1525

null

0.924

null

has coordinates

Thinagar, S.; Velmurugan, D.; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Gupta, S. C.; Merazig, H.; Bouacida, S. 3,3'-[o-Phenylenebis(methyleneoxy)]bis(6-chloroflavone) and 3,3'-propylenedioxybis[6-chloro-2-(2-furyl)-4H-1-benzopyran-4-one] Acta Crystallographica Section C 59(4) (2003) o181-o183

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/33/2013317.cif $ #-------------------------------------------------------------------...

2,013,318

13.982

0.007

8.922

0.005

16.533

0.008

90

null

92.976

0.008

90

null

2,059.7

1.8

293

2

293

2

null

5

P 1 21/n 1

-P 2yn

14

ethyl 2-formamido-2-(4-iodobenzyl)-3-(4-iodophenyl)propanoate

- C19 H19 I2 N O3 -

- C76 H76 I8 N4 O12 -

4

1

NA1593

Lakshminarasimhan Damodharan; Vasantha Pattabhi; Manoranjan Behera; Sambasivarao Kotha

Ethyl 2-formamido-2-(4-iodobenzyl)-3-(4-iodophenyl)propionate and ethyl 2-(3-bromobenzyl)-3-(3-bromophenyl)-2-formamidopropionate

Acta Crystallographica Section C

2,003

59

4

o216

o218

10.1107/S0108270103005183

0.71073

MoKα

0.0681

0.0555

null

0.1495

0.1603

null

1.009

null

has coordinates,has Fobs

Lakshminarasimhan Damodharan; Vasantha Pattabhi; Manoranjan Behera; Sambasivarao Kotha Ethyl 2-formamido-2-(4-iodobenzyl)-3-(4-iodophenyl)propionate and ethyl 2-(3-bromobenzyl)-3-(3-bromophenyl)-2-formamidopropionate Acta Crystallographica Section C 59(4) (2003) o216-o218

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/33/2013318.cif $ #-------------------------------------------------------------------...

2,013,319

11.38

0.003

14.867

0.003

12.525

0.003

90

null

110.431

0.004

90

null

1,985.8

0.8

293

2

293

2

null

5

P 1 21/n 1

-P 2yn

14

ethyl 2-formamido-2-(3-bromobenzyl)-3-(3-bromophenyl)propanoate

- C19 H19 Br2 N O3 -

- C76 H76 Br8 N4 O12 -

4

1

NA1593

Lakshminarasimhan Damodharan; Vasantha Pattabhi; Manoranjan Behera; Sambasivarao Kotha

Ethyl 2-formamido-2-(4-iodobenzyl)-3-(4-iodophenyl)propionate and ethyl 2-(3-bromobenzyl)-3-(3-bromophenyl)-2-formamidopropionate

Acta Crystallographica Section C

2,003

59

4

o216

o218

10.1107/S0108270103005183

0.71073

MoKα

0.1132

0.0512

null

0.1314

0.1465

null

0.877

null

has coordinates,has disorder,has Fobs

Lakshminarasimhan Damodharan; Vasantha Pattabhi; Manoranjan Behera; Sambasivarao Kotha Ethyl 2-formamido-2-(4-iodobenzyl)-3-(4-iodophenyl)propionate and ethyl 2-(3-bromobenzyl)-3-(3-bromophenyl)-2-formamidopropionate Acta Crystallographica Section C 59(4) (2003) o216-o218

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/33/2013319.cif $ #-------------------------------------------------------------------...

2,013,320

16.6025

0.0006

8.1908

0.0002

12.6432

0.0005

90

null

92.303

0.001

90

null

1,717.93

0.1

293

2

293

2

null

3

P 1 21/c 1

-P 2ybc

14

1-[2-Hydroxy-4-methoxyphenyl]-3-(2',3',4'-trimethoxyphenyl) prop-2-en-1-one

- C19 H20 O6 -

- C76 H80 O24 -

4

1

NA1595

A. Subbiah Pandi; D. Velmurugan; S. Shanmuga Sundara Raj; Hoong-Kun Fun; M. C. Bansal

1-(2-Hydroxy-4-methoxyphenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one

Acta Crystallographica Section C

2,003

59

6

o302

o304

10.1107/S0108270103008679

0.71073

MoKα

0.1115

0.0575

null

0.1291

0.1481

null

1.024

null

has coordinates,has Fobs

A. Subbiah Pandi; D. Velmurugan; S. Shanmuga Sundara Raj; Hoong-Kun Fun; M. C. Bansal 1-(2-Hydroxy-4-methoxyphenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one Acta Crystallographica Section C 59(6) (2003) o302-o304

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/33/2013320.cif $ #-------------------------------------------------------------------...

2,013,321

11.587

0.004

12.676

0.003

13.352

0.003

81.54

0.02

72.71

0.02

68.29

0.02

1,738.1

0.9

293

2

293

2

null

5

P -1

-P 1

2

Dichlorotetrakis(3-phenylpyrazole-κN^2^)copper(II)

- C36 H32 Cl2 Cu N8 -

- C72 H64 Cl4 Cu2 N16 -

2

1

NA1596

Małecka, Magdalena; Chęcińska, Lilianna

Dichlorotetrakis(3-phenylpyrazole-κN^2^)copper(II)

Acta Crystallographica Section C

2,003

59

4

m115

m117

10.1107/S0108270103003391

1.54178

CuKα

0.0557

0.0467

null

0.1487

0.1518

null

1.144

null

has coordinates,has Fobs

Małecka, Magdalena; Chęcińska, Lilianna Dichlorotetrakis(3-phenylpyrazole-κN^2^)copper(II) Acta Crystallographica Section C 59(4) (2003) m115-m117

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/33/2013321.cif $ #-------------------------------------------------------------------...

2,013,322

10.1364

0.0005

10.9403

0.0005

27.7309

0.001

90

null

97.917

0.003

90

null

3,045.9

0.2

150

2

150

2

null

3

P 1 21/c 1

-P 2ybc

14

2,4-Dihydroxy-1,3-bis(methoxycarbonylethoxy)calix[4]arene

diethyl 2,4-dihydroxycalix[4]arene-1,3-diyldi(oxyacetate)

- C36 H36 O8 -

- C144 H144 O32 -

4

1

NA1598

Genorio, Boštjan; Kobe, Jože; Giester, Gerald; Leban, Ivan

Cone and 1,3-alternate conformers of 1,3-bis(ethoxycarbonylmethoxy)-2,4-dihydroxycalix[4]arene and 1,2,3,4-tetrakis(ethoxycarbonylmethoxy)calix[4]arene

Acta Crystallographica Section C

2,003

59

4

o221

o224

10.1107/S0108270103005298

0.71073

MoKα

0.0696

0.0508

null

0.1341

0.1462

null

1.054

null

has coordinates

Genorio, Boštjan; Kobe, Jože; Giester, Gerald; Leban, Ivan Cone and 1,3-alternate conformers of 1,3-bis(ethoxycarbonylmethoxy)-2,4-dihydroxycalix[4]arene and 1,2,3,4-tetrakis(ethoxycarbonylmethoxy)calix[4]arene Acta Crystallographica Section C 59(4) (2003) o221-o224

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/33/2013322.cif $ #-------------------------------------------------------------------...

2,013,323

12.0173

0.0008

12.0173

0.0008

7.6972

0.0005

90

null

90

null

90

null

1,111.59

0.13

150

2

150

2

null

3

P -4

81

1,2,3,4-tetrakis(methoxycarbonylethoxy)calix[4]arene

tetraethyl calix[4]arene-1,2,3,4-tetrayltetra(oxyacetate)

- C44 H48 O12 -

1

0.25

NA1598

Genorio, Boštjan; Kobe, Jože; Giester, Gerald; Leban, Ivan

Cone and 1,3-alternate conformers of 1,3-bis(ethoxycarbonylmethoxy)-2,4-dihydroxycalix[4]arene and 1,2,3,4-tetrakis(ethoxycarbonylmethoxy)calix[4]arene

Acta Crystallographica Section C

2,003

59

4

o221

o224

10.1107/S0108270103005298

0.71073

MoKα

0.0749

0.0647

null

0.1812

0.1924

null

1.092

null

has coordinates,has Fobs

Genorio, Boštjan; Kobe, Jože; Giester, Gerald; Leban, Ivan Cone and 1,3-alternate conformers of 1,3-bis(ethoxycarbonylmethoxy)-2,4-dihydroxycalix[4]arene and 1,2,3,4-tetrakis(ethoxycarbonylmethoxy)calix[4]arene Acta Crystallographica Section C 59(4) (2003) o221-o224

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/33/2013323.cif $ #-------------------------------------------------------------------...

2,013,324

10.391

0.002

10.391

0.002

10.391

0.002

90

null

90

null

90

null

1,121.9

0.4

293

null

4

P 21 3

P 2ac 2ab 3

198

- Cd2 O12 Rb2 S3 -

- Cd8 O48 Rb8 S12 -

4

0.333333

NA1599

Guelylah, Abderrahim; Madariaga, Gotzon

Dirubidium dicadmium sulfate at 293K

Acta Crystallographica Section C

2,003

59

5

i32

i34

10.1107/S0108270103007479

0.71073

MoKα

0.0285

0.0247

null

0.0516

0.0544

null

2.79

null

has coordinates,has Fobs

Guelylah, Abderrahim; Madariaga, Gotzon Dirubidium dicadmium sulfate at 293K Acta Crystallographica Section C 59(5) (2003) i32-i34

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/33/2013324.cif $ #-------------------------------------------------------------------...

2,013,325

8.448

0.001

19.938

0.001

6.428

0.001

90

null

90

null

90

null

1,082.7

0.2

290

2

290

2

null

3

P 21 21 2

P 2 2ab

18

austdiol

(7R,8S)-7,8-dihydroxy-3,7-dimethyl-6-oxo-7,8-dihydro- 6H-isochromene-5-carbaldehyde

- C12 H12 O5 -

- C48 H48 O20 -

4

1

NA1600

Lo Presti, Leonardo; Soave, Raffaella; Destro, Riccardo

The fungal metabolite austdiol

Acta Crystallographica Section C

2,003

59

4

o199

o201

10.1107/S0108270103005031

0.71073

MoKα

0.0431

0.0356

null

0.0962

0.1021

null

1.088

null

has coordinates,has Fobs

Lo Presti, Leonardo; Soave, Raffaella; Destro, Riccardo The fungal metabolite austdiol Acta Crystallographica Section C 59(4) (2003) o199-o201

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/33/2013325.cif $ #-------------------------------------------------------------------...

2,013,326

9.9208

0.0016

10.7754

0.0019

11.4933

0.0017

90

null

106.439

0.011

90

null

1,178.4

0.3

293

2

null

5

P 1 21/n 1

-P 2yn

14

- C7 H17 N O7 P2 -

- C28 H68 N4 O28 P8 -

4

1

NA1602

Fernández, Daniel; Vega, Daniel

Head-to-head dimers in the zwitterion of 1-hydroxy-3-(pyrrolidin-1-yl)propylidene-1,1-bisphosphonic acid (EB 1053)

Acta Crystallographica Section C

2,003

59

5

o228

o230

10.1107/S0108270103006085

0.71073

MoKα

null

0.037

null

0.1029

null

1.056

null

has coordinates,has disorder,has Fobs

Fernández, Daniel; Vega, Daniel Head-to-head dimers in the zwitterion of 1-hydroxy-3-(pyrrolidin-1-yl)propylidene-1,1-bisphosphonic acid (EB 1053) Acta Crystallographica Section C 59(5) (2003) o228-o230

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/33/2013326.cif $ #-------------------------------------------------------------------...

2,013,327

8.254

0.0009

8.9037

0.001

9.069

0.001

106.875

0.002

98.782

0.002

90.897

0.002

629.05

0.12

293

2

293

2

null

4

P -1

-P 1

2

meso-Bis(phenylsulfinyl)methane

- C13 H12 O2 S2 -

- C26 H24 O4 S4 -

2

1

NA1603

S. Kannan; Anwar Usman; Hoong-Kun Fun

meso-Bis(phenylsulfinyl)methane

Acta Crystallographica Section C

2,003

59

5

o268

o270

10.1107/S0108270103006991

0.71073

MoKα

0.0469

0.0378

null

0.0892

0.0936

null

1.093

null

has coordinates,has Fobs

S. Kannan; Anwar Usman; Hoong-Kun Fun meso-Bis(phenylsulfinyl)methane Acta Crystallographica Section C 59(5) (2003) o268-o270

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/33/2013327.cif $ #-------------------------------------------------------------------...

2,013,328

11.666

0.003

12.937

0.005

5.714

0.003

90

null

90

null

90

null

862.4

0.6

293

2

null

5

P 21 21 21

P 2ac 2ab

19

- C3 H11 N O6 P2 -

- C12 H44 N4 O24 P8 -

4

1

NA1606

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

Two members of the bisphosphonate class of drugs: a zwitterion and a molecular compound

Acta Crystallographica Section C

2,003

59

6

o289

o292

10.1107/S0108270103007649

0.71073

MoKα

null

0.0486

null

0.1185

null

1.022

null

has coordinates,has Fobs

Fernández, Daniel; Vega, Daniel; Ellena, Javier A. Two members of the bisphosphonate class of drugs: a zwitterion and a molecular compound Acta Crystallographica Section C 59(6) (2003) o289-o292

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/33/2013328.cif $ #-------------------------------------------------------------------...

2,013,329

11.888

0.0003

12.4715

0.0004

7.9403

0.0002

90

null

95.4986

0.0013

90

null

1,171.82

0.06

120

2

null

5

P 1 21/c 1

-P 2ybc

14

- C5 H17 N O9 P2 -

- C20 H68 N4 O36 P8 -

4

1

NA1606

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

Two members of the bisphosphonate class of drugs: a zwitterion and a molecular compound

Acta Crystallographica Section C

2,003

59

6

o289

o292

10.1107/S0108270103007649

0.71073

MoKα

null

0.0427

null

0.1128

null

1.072

null

has coordinates,has Fobs

Fernández, Daniel; Vega, Daniel; Ellena, Javier A. Two members of the bisphosphonate class of drugs: a zwitterion and a molecular compound Acta Crystallographica Section C 59(6) (2003) o289-o292

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/33/2013329.cif $ #-------------------------------------------------------------------...

2,013,330

19.839

0.0012

10.495

0.0006

18.013

0.001

90

null

95.016

0.001

90

null

3,736.1

0.4

293

2

293

2

null

3

P 1 21/c 1

-P 2ybc

14

9,10-Diphenylanthracene endoperoxide (I)

- C26 H18 O2 -

- C208 H144 O16 -

8

2

NA1608

Anwar Usman; Hoong-Kun Fun; Yun Li; Jian-Hua Xu

9,10-Diphenyl-9,10-epidioxyanthracene and 9,10-dihydro-10,10-dimethoxy-9-phenylanthracen-9-ol

Acta Crystallographica Section C

2,003

59

6

o308

o310

10.1107/S0108270103007625

0.71073

MoKα

0.1519

0.091

null

0.1912

0.2183

null

1.058

null

has coordinates,has Fobs

Anwar Usman; Hoong-Kun Fun; Yun Li; Jian-Hua Xu 9,10-Diphenyl-9,10-epidioxyanthracene and 9,10-dihydro-10,10-dimethoxy-9-phenylanthracen-9-ol Acta Crystallographica Section C 59(6) (2003) o308-o310

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/33/2013330.cif $ #-------------------------------------------------------------------...

2,013,331

8.9181

0.001

11.3071

0.0012

17.0624

0.0019

90

null

90.552

0.002

90

null

1,720.5

0.3

293

2

293

2

null

3

P 1 21/c 1

-P 2ybc

14

9,10-Dihydro-9,9-dimethoxy-10-hydroxy-10-phenylanthracene

- C22 H20 O3 -

- C88 H80 O12 -

4

1

NA1608

Anwar Usman; Hoong-Kun Fun; Yun Li; Jian-Hua Xu

9,10-Diphenyl-9,10-epidioxyanthracene and 9,10-dihydro-10,10-dimethoxy-9-phenylanthracen-9-ol

Acta Crystallographica Section C

2,003

59

6

o308

o310

10.1107/S0108270103007625

0.71073

MoKα

0.0769

0.0601

null

0.1254

0.1326

null

1.133

null

has coordinates,has Fobs

Anwar Usman; Hoong-Kun Fun; Yun Li; Jian-Hua Xu 9,10-Diphenyl-9,10-epidioxyanthracene and 9,10-dihydro-10,10-dimethoxy-9-phenylanthracen-9-ol Acta Crystallographica Section C 59(6) (2003) o308-o310

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/33/2013331.cif $ #-------------------------------------------------------------------...

2,013,332

8.134

0.003

22.802

0.002

7.744

0.002

90

null

90

null

90

null

1,436.3

0.7

293

2

293

2

null

4

P 21 21 21

P 2ac 2ab

19

(1R,3S,6S)-[6-tert-butyl-1-hydroxymethyl-5-methyoxy-6-methyl-7-oxa-8-oxo -4-aza-spiro[2.5]oct-4-en-8-one

- C13 H21 N O4 -

- C52 H84 N4 O16 -

4

1

NA1611

Małecka, Magdalena; Wanner, Klaus Th.; Budzisz, Elżbieta

(1R,3S,6S)-6-tert-Butyl-1-hydroxymethyl-5-methoxy-6-methyl-7-oxa-4-azaspiro[2.5]oct-4-en-8-one and dimethyl [(1S,1'R,3'S,6'S)-(6'-tert-butyl-5'-methoxy-6'-methyl-8'-oxo-7'-oxa-4'-azaspiro[2.5]oct-4'-en-1'-yl)hydroxymethyl]phosphonate

Acta Crystallographica Section C

2,003

59

6

o317

o320

10.1107/S0108270103008564

1.54178

CuKα

0.0625

0.0524

null

0.159

0.1626

null

1.024

null

has coordinates,has Fobs

Małecka, Magdalena; Wanner, Klaus Th.; Budzisz, Elżbieta (1R,3S,6S)-6-tert-Butyl-1-hydroxymethyl-5-methoxy-6-methyl-7-oxa-4-azaspiro[2.5]oct-4-en-8-one and dimethyl [(1S,1'R,3'S,6'S)-(6'-tert-butyl-5'-methoxy-6'-methyl-8'-oxo-7'-oxa-4'-azaspiro[2.5]oct-4'-e...

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/33/2013332.cif $ #-------------------------------------------------------------------...

2,013,333

6.894

0.001

9.423

0.001

14.428

0.002

90

null

93.266

0.01

90

null

935.8

0.2

293

2

293

2

null

5

P 1 21 1

P 2yb

4

dimethyl (1R,1'R,3'S,6'S)-[6'-tert-butyl-5'-methyoxy-6'-methyl-7'-oxa-8'-oxo- 4'-aza-spiro[2.5] oct-4'-en-1'-yl)hydroxymethylphosphonate

- C15 H26 N O7 P -

- C30 H52 N2 O14 P2 -

2

1

NA1611

Małecka, Magdalena; Wanner, Klaus Th.; Budzisz, Elżbieta

(1R,3S,6S)-6-tert-Butyl-1-hydroxymethyl-5-methoxy-6-methyl-7-oxa-4-azaspiro[2.5]oct-4-en-8-one and dimethyl [(1S,1'R,3'S,6'S)-(6'-tert-butyl-5'-methoxy-6'-methyl-8'-oxo-7'-oxa-4'-azaspiro[2.5]oct-4'-en-1'-yl)hydroxymethyl]phosphonate

Acta Crystallographica Section C

2,003

59

6

o317

o320

10.1107/S0108270103008564

1.54178

CuKα

0.0395

0.0354

null

0.0996

0.1015

null

1.078

null

has coordinates,has Fobs

Małecka, Magdalena; Wanner, Klaus Th.; Budzisz, Elżbieta (1R,3S,6S)-6-tert-Butyl-1-hydroxymethyl-5-methoxy-6-methyl-7-oxa-4-azaspiro[2.5]oct-4-en-8-one and dimethyl [(1S,1'R,3'S,6'S)-(6'-tert-butyl-5'-methoxy-6'-methyl-8'-oxo-7'-oxa-4'-azaspiro[2.5]oct-4'-e...

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/33/2013333.cif $ #-------------------------------------------------------------------...

2,013,334

10.8569

0.0006

12.4129

0.0006

12.9849

0.0006

90

null

97.386

0.001

90

null

1,735.4

0.15

213

2

213

2

null

4

P 1 21/n 1

-P 2yn

14

1-Acetyl-2a'-phenyl-4'-ethylspiro[indole-3,2'-[2a'H,5a'H]oxeto[5,4-b]oxazol]- 2(1H)-one

- C21 H18 N2 O4 -

- C84 H72 N8 O16 -

4

1

NA1612

Anwar Usman; Hoong-Kun Fun; Lei Wang; Yan Zhang; Jian-Hua Xu

1-Acetyl-4'-ethyl-2a'-phenyl-2',2a',5',5a'-tetrahydrospiro[1H-indole-3,2'-oxeto[5,4-b]oxazol]-2(3H)-one and 1-acetyl-4',5a'-diphenyl-2',2a',5',5a'-tetrahydrospiro[1H-indole-3,2'-oxeto[5,4-b]oxazol]-2(3H)-one

Acta Crystallographica Section C

2,003

59

6

o305

o307

10.1107/S0108270103008680

0.71073

MoKα

0.0622

0.0491

null

0.1276

0.142

null

1.071

null

has coordinates,has disorder,has Fobs

Anwar Usman; Hoong-Kun Fun; Lei Wang; Yan Zhang; Jian-Hua Xu 1-Acetyl-4'-ethyl-2a'-phenyl-2',2a',5',5a'-tetrahydrospiro[1H-indole-3,2'-oxeto[5,4-b]oxazol]-2(3H)-one and 1-acetyl-4',5a'-diphenyl-2',2a',5',5a'-tetrahydrospiro[1H-indole-3,2'-oxeto[5,4-b]oxazol]-2(3H)-one Acta Crys...

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/33/2013334.cif $ #-------------------------------------------------------------------...

2,013,335

12.7908

0.001

8.7717

0.0007

17.8346

0.0013

90

null

94.515

0.002

90

null

1,994.8

0.3

293

2

293

2

null

4

P 1 21/n 1

-P 2yn

14

1-Acetyl-4',5a'-diphenylspiro[indole-3,2'-(2'H,5'H)oxeto[5,4-b]oxazol]-2(1H)- one

- C25 H18 N2 O4 -

- C100 H72 N8 O16 -

4

1

NA1612

Anwar Usman; Hoong-Kun Fun; Lei Wang; Yan Zhang; Jian-Hua Xu

1-Acetyl-4'-ethyl-2a'-phenyl-2',2a',5',5a'-tetrahydrospiro[1H-indole-3,2'-oxeto[5,4-b]oxazol]-2(3H)-one and 1-acetyl-4',5a'-diphenyl-2',2a',5',5a'-tetrahydrospiro[1H-indole-3,2'-oxeto[5,4-b]oxazol]-2(3H)-one

Acta Crystallographica Section C

2,003

59

6

o305

o307

10.1107/S0108270103008680

0.71073

MoKα

0.0824

0.066

null

0.1275

0.1337

null

1.188

null

has coordinates,has Fobs

Anwar Usman; Hoong-Kun Fun; Lei Wang; Yan Zhang; Jian-Hua Xu 1-Acetyl-4'-ethyl-2a'-phenyl-2',2a',5',5a'-tetrahydrospiro[1H-indole-3,2'-oxeto[5,4-b]oxazol]-2(3H)-one and 1-acetyl-4',5a'-diphenyl-2',2a',5',5a'-tetrahydrospiro[1H-indole-3,2'-oxeto[5,4-b]oxazol]-2(3H)-one Acta Crys...

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/33/2013335.cif $ #-------------------------------------------------------------------...

2,013,336

26.533

0.005

12.297

0.002

13.079

0.003

90

null

110

0.03

90

null

4,010

1.6

293

2

293

2

null

4

C 1 2/c 1

-C 2yc

15

Bis(melaminium) DL-malate tetrahydrate'

Bis(1,3,5-triamine-2,4,6-trianine-1-ium) DL-malate tetrahydrate

- C10 H26 N12 O9 -

- C80 H208 N96 O72 -

8

1

NA1613

Jan Janczak; Genivaldo Julio Perpétuo

Bis(melaminium) DL-malate tetrahydrate

Acta Crystallographica Section C

2,003

59

6

o349

o352

10.1107/S0108270103010047

0.71073

MoKα

0.0483

0.0404

null

0.0324

0.041

null

1.066

null

has coordinates,has Fobs

Jan Janczak; Genivaldo Julio Perpétuo Bis(melaminium) DL-malate tetrahydrate Acta Crystallographica Section C 59(6) (2003) o349-o352

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/33/2013336.cif $ #-------------------------------------------------------------------...

2,013,337

19.61

0.05

17.35

0.002

16.832

0.002

90

null

90

null

90

null

5,727

15

293

2

293

2

null

6

P b c a

-P 2ac 2ab

61

Bis[N,N'-diisopropyl-N-(trimethylsilyl)benzamidinium] di-μ-chloro-bis[tetrachlorozirconate(IV)] dichloromethane disolvate

- C34 H62 Cl14 N4 Si2 Zr2 -

- C136 H248 Cl56 N16 Si8 Zr8 -

4

0.5

NA1614

Roberto Centore; Angela Tuzi; Dario Liguori

Bis[N,N'-diisopropyl-N-(trimethylsilyl)benzamidinium] di-μ-chloro-bis[tetrachlorozirconate(IV)] dichloromethane disolvate

Acta Crystallographica Section C

2,003

59

6

m241

m242

10.1107/S0108270103010035

0.71069

MoKα

0.1123

0.0491

null

0.1208

0.1469

null

1.018

null

has coordinates,has disorder,has Fobs

Roberto Centore; Angela Tuzi; Dario Liguori Bis[N,N'-diisopropyl-N-(trimethylsilyl)benzamidinium] di-μ-chloro-bis[tetrachlorozirconate(IV)] dichloromethane disolvate Acta Crystallographica Section C 59(6) (2003) m241-m242

176,760

2020-10-21

18:00:00

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2,013,338

11.4372

0.0004

7.8901

0.0003

21.1268

0.0009

90

null

97.896

0.002

90

null

1,888.42

0.13

120

2

null

3

P 1 21 1

P 2yb

4

- C22 H28 O5 -

- C88 H112 O20 -

4

2

OB1096

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

17α,21-Dihydroxy-16β-methylpregna-1,4-diene-3,11,20-trione (meprednisone)

Acta Crystallographica Section C

2,003

59

4

o187

o189

10.1107/S0108270103003184

0.71073

MoKα

0.0666

0.0437

null

0.0864

0.0994

null

1.046

null

has coordinates,has Fobs

Fernández, Daniel; Vega, Daniel; Ellena, Javier A. 17α,21-Dihydroxy-16β-methylpregna-1,4-diene-3,11,20-trione (meprednisone) Acta Crystallographica Section C 59(4) (2003) o187-o189

301,798

2025-08-19

6:42:14

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2,013,339

11.513

0.002

10.711

0.002

13.998

0.002

90

null

114.1

0.01

90

null

1,575.7

0.5

296

2

296

2

null

4

P 1 21/n 1

-P 2yn

14

2,2'-(1,2-Ethanediyldithio)bis(1,3-benzothiazole)

- C16 H12 N2 S4 -

- C64 H48 N8 S16 -

4

1

OB1097

Liu, Qingjian; Shi, Daqing; Ma, Chuanli; Pan, Fengmei; Qu, Rongjun; Yu, Kaibei; Xu, Jianhua

2,2'-(1,2-Ethanediyldithio)bis(1,3-benzothiazole)

Acta Crystallographica Section C

2,003

59

4

o219

o220

10.1107/S0108270103002257

0.71073

MoKα

0.044

0.03

null

0.077

0.08

null

1.055

null

has coordinates,has Fobs

Liu, Qingjian; Shi, Daqing; Ma, Chuanli; Pan, Fengmei; Qu, Rongjun; Yu, Kaibei; Xu, Jianhua 2,2'-(1,2-Ethanediyldithio)bis(1,3-benzothiazole) Acta Crystallographica Section C 59(4) (2003) o219-o220

301,798

2025-08-19

6:42:14

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2,013,340

13.276

0.001

13.276

0.001

18.959

0.001

90

null

90

null

90

null

3,341.6

0.4

293

2

293

2

null

7

I -4

82

Octaguanidinium α-silicodiplatinodecatungstate hexahydrate

- C8 H60 N24 O46 Pt2 Si W10 -

- C8 H48 N24 O46 Pt2.04 Si W9.96 -

- C16 H96 N48 O92 Pt4.08 Si2 W19.92 -

2

0.25

OB1100

Lee, Uk; Joo, Hea-Chung; Park, Ki-Min; Ozeki, Tomoji

Synchrotron structure determination of an α-Keggin doubly Pt^IV^-substituted silicotungstate, (CH~6~N~3~)~8~[α-SiPt~2~W~10~O~40~]·6H~2~O

Acta Crystallographica Section C

2,003

59

4

m152

m155

10.1107/S0108270103004517

0.3282

synchrotron

0.0294

0.0293

null

0.0679

null

1.259

null

has coordinates,has Fobs

Lee, Uk; Joo, Hea-Chung; Park, Ki-Min; Ozeki, Tomoji Synchrotron structure determination of an α-Keggin doubly Pt^IV^-substituted silicotungstate, (CH~6~N~3~)~8~[α-SiPt~2~W~10~O~40~]·6H~2~O Acta Crystallographica Section C 59(4) (2003) m152-m155

176,432

2020-10-21

18:00:00

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2,013,341

12.6034

0.0007

12.6075

0.0007

53.536

0.003

90

null

90

null

90

null

8,506.7

0.8

90

0.2

90

0.2

null

5

P 21 21 21

P 2ac 2ab

19

ccs1

cis,cis-Ceratospongamide, N,N-dimethylacetamide hemisolvate cyclo(-Ile-Oxz-Phe-Pro-Thz-Phe-Pro-)

- C43 H53.5 N7.5 O6.5 S -

- C344 H428 N60 O52 S8 -

8

2

OB1101

Mitsunobu Doi; Akiko Asano; Kenji Yoza

cis,cis-Ceratospongamide N,N-dimethylacetamide hemisolvate in the presence of twinning

Acta Crystallographica Section C

2,003

59

6

o323

o325

10.1107/S010827010300369X

0.71073

MoKα

0.0504

0.0502

null

0.1266

0.1267

null

1.155

null

has coordinates,has Fobs

Mitsunobu Doi; Akiko Asano; Kenji Yoza cis,cis-Ceratospongamide N,N-dimethylacetamide hemisolvate in the presence of twinning Acta Crystallographica Section C 59(6) (2003) o323-o325

201,957

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-10-13 03:48:21 +0300 (Fri, 13 Oct 2017) $ #$Revision: 201957 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/33/2013341.cif $ #-------------------------------------------------------------------...

2,013,342

7.878

0.003

8.818

0.004

30.721

0.002

90

null

90.8

0.02

90

null

2,133.9

1.3

296.2

null

4

P 1 21/n 1

-P 2yn

14

- C21 H21 Fe O9 -

- C84 H84 Fe4 O36 -

4

1

OB1104

Odoko, Mamiko; Yamamoto, Kyouta; Hosen, Masahiro; Okabe, Nobuo

fac-Tris(2-ethyl-4-oxo-4H-pyran-3-olato-κ^2^O^3^,O^4^)iron(III) and its aluminium(III) analog

Acta Crystallographica Section C

2,003

59

4

m121

m123

10.1107/S0108270103004074

0.7107

MoKα

null

0.0422

null

0.1353

null

0.993

null

has coordinates,has Fobs

Odoko, Mamiko; Yamamoto, Kyouta; Hosen, Masahiro; Okabe, Nobuo fac-Tris(2-ethyl-4-oxo-4H-pyran-3-olato-κ^2^O^3^,O^4^)iron(III) and its aluminium(III) analog Acta Crystallographica Section C 59(4) (2003) m121-m123

176,760

2020-10-21

18:00:00

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2,013,343

7.897

0.004

8.696

0.009

30.801

0.004

90

null

91.4

0.03

90

null

2,115

2

296.2

null

4

P 1 21/n 1

-P 2yn

14

- C21 H21 Al O9 -

- C84 H84 Al4 O36 -

4

1

OB1104

Odoko, Mamiko; Yamamoto, Kyouta; Hosen, Masahiro; Okabe, Nobuo

fac-Tris(2-ethyl-4-oxo-4H-pyran-3-olato-κ^2^O^3^,O^4^)iron(III) and its aluminium(III) analog

Acta Crystallographica Section C

2,003

59

4

m121

m123

10.1107/S0108270103004074

0.7107

MoKα

null

0.0643

null

0.2281

null

0.941

null

has coordinates,has Fobs

Odoko, Mamiko; Yamamoto, Kyouta; Hosen, Masahiro; Okabe, Nobuo fac-Tris(2-ethyl-4-oxo-4H-pyran-3-olato-κ^2^O^3^,O^4^)iron(III) and its aluminium(III) analog Acta Crystallographica Section C 59(4) (2003) m121-m123

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/33/2013343.cif $ #-------------------------------------------------------------------...

2,013,344

14.7427

0.0004

14.7427

0.0004

22.0412

0.0006

90

null

90

null

90

null

4,790.6

0.2

296.2

null

6

I 4/m

-I 4

87

- C40 H36 Au F20 N S4 -

- C160 H144 Au4 F80 N4 S16 -

4

0.25

OB1105

Seiji Watase; Takayuki Kitamura; Nobuko Kanehisa; Masami Nakamoto; Yasushi Kai; Shozo Yanagida

Tetra-n-butylammonium tetrakis(pentafluorobenzenethiolato-κS)aurate(III)

Acta Crystallographica Section C

2,003

59

5

m162

m164

10.1107/S0108270103005961

0.7107

MoKα

null

0.0365

null

0.0434

null

1.048

null

has coordinates,has Fobs

Seiji Watase; Takayuki Kitamura; Nobuko Kanehisa; Masami Nakamoto; Yasushi Kai; Shozo Yanagida Tetra-n-butylammonium tetrakis(pentafluorobenzenethiolato-κS)aurate(III) Acta Crystallographica Section C 59(5) (2003) m162-m164

176,432

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176432 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/33/2013344.cif $ #-------------------------------------------------------------------...

2,013,345

18.418

0.004

9.821

0.002

9.502

0.0019

90

null

96.64

0.03

90

null

1,707.2

0.6

295

null

293

2

null

5

P 1 21/c 1

-P 2ybc

14

4-[(3-Chlorophenyl)diazenyl]-2- {[tris(hydroxymethyl)methyl]aminomethylene}cyclohexa-3,5-dien-1(2H)-one

- C17 H18 Cl N3 O4 -

- C68 H72 Cl4 N12 O16 -

4

1

OB1106

Odabas̨oǧlu, Mustafa; Albayrak, Çiǧdem; Büyükgüngör, Orhan; Goesmann, Helmut

4-[(3-Chlorophenyl)diazenyl]-2-{[tris(hydroxymethyl)methyl]aminomethylene}cyclohexa-3,5-dien-1(2H)-one

Acta Crystallographica Section C

2,003

59

5

o234

o236

10.1107/S0108270103006292

0.71073

MoKα

0.0552

0.0369

null

0.0915

0.1035

null

1.056

null

has coordinates,has Fobs

Odabas̨oǧlu, Mustafa; Albayrak, Çiǧdem; Büyükgüngör, Orhan; Goesmann, Helmut 4-[(3-Chlorophenyl)diazenyl]-2-{[tris(hydroxymethyl)methyl]aminomethylene}cyclohexa-3,5-dien-1(2H)-one Acta Crystallographica Section C 59(5) (2003) o234-o236

201,957

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-10-13 03:48:21 +0300 (Fri, 13 Oct 2017) $ #$Revision: 201957 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/33/2013345.cif $ #-------------------------------------------------------------------...

2,013,346

7.563

0.003

29.885

0.003

8.2254

0.0009

90

null

90

null

90

null

1,859.1

0.8

295

2

295

2

null

5

P n m a

-P 2ac 2n

62

catena-poly[tetraaquabis(thiosalicylate)barium(II)]

- C14 H18 Ba O8 S2 -

- C56 H72 Ba4 O32 S8 -

4

0.5

OB1109

Lee, Bo-Hyung; Kim, Chong-Hyeak; Lee, Sueg-Geun

A one-dimensional coordination polymer with metal–metal interactions: catena-poly[[triaquabarium(II)]-μ-aqua-κ^2^O:O-di-μ-thiosalicylato-κ^4^O:O]

Acta Crystallographica Section C

2,003

59

5

m196

m198

10.1107/S010827010300667X

0.71073

MoKα

0.0418

0.0369

null

0.1042

0.1125

null

1.129

null

has coordinates,has Fobs

Lee, Bo-Hyung; Kim, Chong-Hyeak; Lee, Sueg-Geun A one-dimensional coordination polymer with metal–metal interactions: catena-poly[[triaquabarium(II)]-μ-aqua-κ^2^O:O-di-μ-thiosalicylato-κ^4^O:O] Acta Crystallographica Section C 59(5) (2003) m196-m198

301,798

2025-08-19

6:42:14

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2,013,347

15.163

0.004

13.639

0.003

3.95

0.001

90

null

92.39

0.02

90

null

816.2

0.3

278.2

null

3

P 1 21/a 1

-P 2yab

14

- C18 H12 Cl4 -

- C36 H24 Cl8 -

2

0.5

OB1110

Yoriko Sonoda; Yuji Kawanishi; Midori Goto

(E,E,E)-1,6-Bis(2,4-dichlorophenyl)hexa-1,3,5-triene

Acta Crystallographica Section C

2,003

59

6

o311

o313

10.1107/S0108270103008370

0.7107

MoKα

null

0.0406

null

0.1094

null

1.502

null

has coordinates,has Fobs

Yoriko Sonoda; Yuji Kawanishi; Midori Goto (E,E,E)-1,6-Bis(2,4-dichlorophenyl)hexa-1,3,5-triene Acta Crystallographica Section C 59(6) (2003) o311-o313

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/33/2013347.cif $ #-------------------------------------------------------------------...

2,013,348

13.0487

0.0003

5.9574

0.0001

14.0254

0.0003

90

null

109.078

0.001

90

null

1,030.4

0.04

183

2

183

2

null

6

P 1 21/c 1

-P 2ybc

14

trans-Diaquabis(thiosemicarbazido-κ^2^N,S)nickel(II) dimaleate dihydrate

- C10 H24 N6 Ni O12 S2 -

- C20 H48 N12 Ni2 O24 S4 -

2

0.5

OB1111

Sheng-Li Li; Anwar Usman; Ibrahim A. Razak; Hoong-Kun Fun; Jie-Ying Wu; Yu-Peng Tian; Min-Hua Jiang; Zu-Yao Chen

trans-Diaquabis(thiosemicarbazido-κ^2^N,S)nickel(II) dimaleate dihydrate

Acta Crystallographica Section C

2,003

59

5

m181

m183

10.1107/S0108270103006425

0.71073

MoKα

0.0532

0.0462

null

0.1074

0.1103

null

0.999

null

has coordinates,has Fobs

Sheng-Li Li; Anwar Usman; Ibrahim A. Razak; Hoong-Kun Fun; Jie-Ying Wu; Yu-Peng Tian; Min-Hua Jiang; Zu-Yao Chen trans-Diaquabis(thiosemicarbazido-κ^2^N,S)nickel(II) dimaleate dihydrate Acta Crystallographica Section C 59(5) (2003) m181-m183

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/33/2013348.cif $ #-------------------------------------------------------------------...

2,013,349

11.1794

0.0017

10.072

0.0016

19.591

0.003

90

null

94.317

0.003

90

null

2,199.7

0.6

293

2

293

2

null

4

P 1 21/n 1

-P 2yn

14

1-N-Methyl-t-3-isopropyl-r-2,c-6-diphenylpiperidone Thiosemicarbazone

- C22 H28 N4 S -

- C88 H112 N16 S4 -

4

1

OB1115

N. Sampath; S. M. Malathy Sony; M. N. Ponnuswamy; M. Nethaji

t-3-Isopropyl-1-methyl-r-2,c-6-diphenylpiperidin-4-one thiosemicarbazone

Acta Crystallographica Section C

2,003

59

6

o346

o348

10.1107/S010827010300917X

0.71073

MoKα

0.0969

0.0636

null

0.1388

0.1536

null

1.071

null

has coordinates,has Fobs

N. Sampath; S. M. Malathy Sony; M. N. Ponnuswamy; M. Nethaji t-3-Isopropyl-1-methyl-r-2,c-6-diphenylpiperidin-4-one thiosemicarbazone Acta Crystallographica Section C 59(6) (2003) o346-o348

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/33/2013349.cif $ #-------------------------------------------------------------------...

2,013,350

6.8755

0.0007

14.5505

0.0002

7.852

0.0001

90

null

96.898

0.006

90

null

779.84

0.08

123.1

null

3

P 1 21/c 1

-P 2ybc

14

- C9 H7 N3 -

- C36 H28 N12 -

4

1

OB1116

Hiromitsu Maeda; Atsuhiro Osuka; Hiroyuki Furuta

2-Allenyl-2H-benzotriazole

Acta Crystallographica Section C

2,003

59

6

o338

o339

10.1107/S0108270103007273

0.7107

MoKα

null

0.051

null

0.087

null

1.042

null

has coordinates,has Fobs

Hiromitsu Maeda; Atsuhiro Osuka; Hiroyuki Furuta 2-Allenyl-2H-benzotriazole Acta Crystallographica Section C 59(6) (2003) o338-o339

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/33/2013350.cif $ #-------------------------------------------------------------------...

2,013,351

9.221

0.002

14.457

0.002

19.897

0.002

76.39

0.01

84.2

0.01

88.06

0.01

2,564.6

0.7

293

2

293

2

null

6

P -1

-P 1

2

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

- C22 H24 Ag Cl N8 O4 -

- C88 H96 Ag4 Cl4 N32 O16 -

4

2

OB1118

Ni Jun; Li, Yi-Zhi; Xue Zheng; Chen, Hui-Lan; Wang, Zhi-Lin

Bis{4-[N,N-bis(2-cyanoethyl)amino]pyridine-κN^1^}silver(I) perchlorate, with the perchlorate anion located in the cation cavity

Acta Crystallographica Section C

2,003

59

6

m201

m203

10.1107/S0108270103007613

0.71073

MoKα

0.0667

0.0439

null

0.098

0.103

null

1.045

null

has coordinates,has Fobs

Ni Jun; Li, Yi-Zhi; Xue Zheng; Chen, Hui-Lan; Wang, Zhi-Lin Bis{4-[N,N-bis(2-cyanoethyl)amino]pyridine-κN^1^}silver(I) perchlorate, with the perchlorate anion located in the cation cavity Acta Crystallographica Section C 59(6) (2003) m201-m203

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/33/2013351.cif $ #-------------------------------------------------------------------...

2,013,352

6.0261

0.0005

12.0503

0.001

12.312

0.001

90

null

100.274

0.001

90

null

879.72

0.13

293

2

293

2

null

5

P 1 21 1

P 2yb

4

Bis(2-aminopyridine-κN^1^)(benzoato-κO)silver(I)

- C17 H17 Ag N4 O2 -

- C34 H34 Ag2 N8 O4 -

2

1

OB1119

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

Bis(2-aminopyridine-κN^1^)(benzoato-κO)silver(I)

Acta Crystallographica Section C

2,003

59

6

m218

m220

10.1107/S0108270103008916

0.71073

MoKα

0.0397

0.0337

null

0.0831

0.0866

null

1.082

null

has coordinates,has Fobs

Hai-Liang Zhu; Anwar Usman; Hoong-Kun Fun; Xian-Jiang Wang Bis(2-aminopyridine-κN^1^)(benzoato-κO)silver(I) Acta Crystallographica Section C 59(6) (2003) m218-m220

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/33/2013352.cif $ #-------------------------------------------------------------------...

2,013,353

11.144

0.002

13.047

0.003

18.429

0.004

90

null

98.19

0.03

90

null

2,652.2

1

115

2

115

2

null

4

P 1 21 1

P 2yb

4

L^4^ is 3-[2,6-bis(diethylcarbamoyl)pyridin-4-yl]-N-(tert-butoxycarbonyl)alanine methyl ester

- C24 H38 N4 O6 -

- C96 H152 N16 O24 -

4

2

SK1603

Muller, Gilles; Schmidt, Boris; Jiřiček, Jan; Bünzli, Jean-Claude G.; Schenk, Kurt J.

3-[2,6-Bis(diethylcarbamoyl)pyridin-4-yl]-N-(tert-butoxycarbonyl)alanine methyl ester: a chiral tridentate ligand that causes a diastereomeric excess of its lanthanide complexes in solution

Acta Crystallographica Section C

2,003

59

6

o353

o356

10.1107/S0108270103006656

0.71073

MoKα

0.0422

0.0354

null

0.0576

null

0.0573

null

2.902

null

has coordinates,has Fobs

Muller, Gilles; Schmidt, Boris; Jiřiček, Jan; Bünzli, Jean-Claude G.; Schenk, Kurt J. 3-[2,6-Bis(diethylcarbamoyl)pyridin-4-yl]-N-(tert-butoxycarbonyl)alanine methyl ester: a chiral tridentate ligand that causes a diastereomeric excess of its lanthanide complexes in solution Acta Crystallographica Section...

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/33/2013353.cif $ #-------------------------------------------------------------------...

2,013,354

8.845

0.001

16.101

0.001

16.029

0.002

90

null

103.97

0.01

90

null

2,215.2

0.4

296

2

296

2

null

5

P 1 21/n 1

-P 2yn

14

Triphenylphosphine oxide-3-chlorobenzoic acid (1/1)

- C25 H20 Cl O3 P -

- C100 H80 Cl4 O12 P4 -

4

1

SK1617

Al-Farhan, Khalid A.

Triphenylphosphine oxide–3-chlorobenzoic acid (1/1)

Acta Crystallographica Section C

2,003

59

4

o179

o180

10.1107/S0108270103003317

0.71073

MoKα

0.05

0.043

null

0.11

0.118

null

1.023

null

has coordinates,has Fobs

Al-Farhan, Khalid A. Triphenylphosphine oxide–3-chlorobenzoic acid (1/1) Acta Crystallographica Section C 59(4) (2003) o179-o180

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/33/2013354.cif $ #-------------------------------------------------------------------...

2,013,355

11.6265

0.0013

14.5467

0.0009

10.0565

0.0011

90

null

122.475

0.015

90

null

1,434.9

0.3

120

2

120

2

null

5

C 1 c 1

C -2yc

9

(N-carboxylatomethylaspartato)(ethylenediamine) cobalt(III) complex

[N-(Carboxylatomethyl)aspartato(3-)](ethylenediamine)cobalt(III) trihydrate

- C8 H20 Co N3 O9 -

- C32 H80 Co4 N12 O36 -

4

1

SK1619

Maderová, Jana; Marek, Jaromír; Pavelčík, František

[N-(Carboxylatomethyl)aspartato(3–)](ethylenediamine)cobalt(III) trihydrate

Acta Crystallographica Section C

2,003

59

5

m178

m180

10.1107/S0108270103006449

0.71073

MoKα

0.022

0.0219

null

0.0573

0.0574

null

1.042

null

has coordinates,has Fobs

Maderová, Jana; Marek, Jaromír; Pavelčík, František [N-(Carboxylatomethyl)aspartato(3–)](ethylenediamine)cobalt(III) trihydrate Acta Crystallographica Section C 59(5) (2003) m178-m180

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/33/2013355.cif $ #-------------------------------------------------------------------...

2,013,356

5.3026

0.0012

5.3026

0.0012

11.81

0.005

90

null

90

null

90

null

332.07

0.18

100

2

100

2

null

3

I 41/a :2

-I 4ad

88

- Ag O4 Tc -

- Ag4 O16 Tc4 -

4

0.25

SK1620

Sarsfield, Mark J.; Sutton, Andrew D.; Livens, Francis R.; May, Iain; Taylor, Robin J.

Raman spectroscopy of silver pertechnetate

Acta Crystallographica Section C

2,003

59

6

i45

i46

10.1107/S0108270103006486

0.71073

MoKα

0.0398

0.0391

null

0.0922

0.0926

null

1.454

null

has coordinates,has Fobs

Sarsfield, Mark J.; Sutton, Andrew D.; Livens, Francis R.; May, Iain; Taylor, Robin J. Raman spectroscopy of silver pertechnetate Acta Crystallographica Section C 59(6) (2003) i45-i46

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/33/2013356.cif $ #-------------------------------------------------------------------...

2,013,357

4.8448

0.0009

10.5043

0.0019

6.0634

0.0013

90

null

90

null

90

null

308.57

0.1

293

2

null

4

P b n m

-P 2c 2ab

62

- In Li O4 Si -

- In4 Li4 O16 Si4 -

4

0.5

Redhammer, G. J.; Roth, G.

LiInSiO~4~: a new monovalent–trivalent olivine

Acta Crystallographica, Section C

2,003

59

i38

i40

10.1107/S0108270103006346

null

has coordinates

Redhammer, G. J.; Roth, G. LiInSiO~4~: a new monovalent–trivalent olivine Acta Crystallographica, Section C 59 (2003) i38-i40

282,068

2023-03-26

10:12:03

#------------------------------------------------------------------------------ #$Date: 2023-03-26 11:09:57 +0300 (Sun, 26 Mar 2023) $ #$Revision: 282068 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/33/2013357.cif $ #-------------------------------------------------------------------...

2,013,358

3.8736

0.0003

3.8736

0.0003

12.72

0.007

90

null

90

null

90

null

190.86

0.11

293

null

293

null

4

I 4/m m m

-I 4 2

139

distrontium ruthenium titanium tetraoxide

- O4 Ru0.93 Sr2 Ti0.07 -

- O4 Ru0.929 Sr2 Ti0.071 -

- O8 Ru1.858 Sr4 Ti0.142 -

2

0.0625

SK1623

Stefan G. Ebbinghaus; Jan Hanss; Anke Weidenkaff; Andreas Kalytta; R. J. Cava

Two Ti-doped distrontium ruthenium tetraoxides: Sr~2~Ru~0.93~Ti~0.07~O~4~ and Sr~2~Ru~0.81~Ti~0.19~O~4~

Acta Crystallographica Section C

2,003

59

5

i35

i37

10.1107/S0108270103006693

0.71073

MoKα

0.0141

null

0.0325

null

1.305

null

has coordinates,has Fobs

Stefan G. Ebbinghaus; Jan Hanss; Anke Weidenkaff; Andreas Kalytta; R. J. Cava Two Ti-doped distrontium ruthenium tetraoxides: Sr~2~Ru~0.93~Ti~0.07~O~4~ and Sr~2~Ru~0.81~Ti~0.19~O~4~ Acta Crystallographica Section C 59(5) (2003) i35-i37

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/33/2013358.cif $ #-------------------------------------------------------------------...

2,013,359

3.8767

0.0005

3.8767

0.0005

12.698

0.003

90

null

90

null

90

null

190.84

0.06

293

null

293

null

4

I 4/m m m

-I 4 2

139

distrontium ruthenium titanium tetraoxide

- O4 Ru0.81 Sr2 Ti0.19 -

- O8 Ru1.62 Sr4 Ti0.38 -

2

0.0625

SK1623

Stefan G. Ebbinghaus; Jan Hanss; Anke Weidenkaff; Andreas Kalytta; R. J. Cava

Two Ti-doped distrontium ruthenium tetraoxides: Sr~2~Ru~0.93~Ti~0.07~O~4~ and Sr~2~Ru~0.81~Ti~0.19~O~4~

Acta Crystallographica Section C

2,003

59

5

i35

i37

10.1107/S0108270103006693

0.71073

MoKα

0.0195

0.0193

null

0.0446

0.0447

null

1.41

null

has coordinates,has Fobs

Stefan G. Ebbinghaus; Jan Hanss; Anke Weidenkaff; Andreas Kalytta; R. J. Cava Two Ti-doped distrontium ruthenium tetraoxides: Sr~2~Ru~0.93~Ti~0.07~O~4~ and Sr~2~Ru~0.81~Ti~0.19~O~4~ Acta Crystallographica Section C 59(5) (2003) i35-i37

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/33/2013359.cif $ #-------------------------------------------------------------------...