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

2,000,504

10.605

0.0009

10.605

0.0009

6.4099

0.0005

90

null

90

null

90

null

720.9

0.1

null

5

P -4 m 2

P -4 -2

null

- K4 Nb8 O34 P4 Si -

1

0.125

DU0309

Leclaire, A.; Borel, M. M.; Chardon, J.; Grandin, A.; Raveau, B.

A niobium silicophosphate belonging to the niobium phosphate bronze series: K~4~Nb~8~P~4~SiO~34~

Acta Crystallographica Section C

1,992

48

10

1744

1747

10.1107/S0108270192002129

0.71073

Mo

null

has coordinates

Leclaire, A.; Borel, M. M.; Chardon, J.; Grandin, A.; Raveau, B. A niobium silicophosphate belonging to the niobium phosphate bronze series: K~4~Nb~8~P~4~SiO~34~ Acta Crystallographica Section C 48(10) (1992) 1744-1747

176,435

2020-10-21

18:00:00

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2,000,505

9.254

0.005

12.747

0.003

7.805

0.002

90

null

96.43

0.02

90

null

914.9

0.6

null

4

P 1 21/c 1

-P 2ybc

null

- K2 N4 O8 Pd -

- K8 N16 O32 Pd4 -

4

1

HA0078

Blake, A. J.; Gould, R. O.; Johnson, B. F. G.; Parisini, E.

Redetermination of the structure of potassium tetranitropalladate(II)

Acta Crystallographica Section C

1,992

48

10

1749

1751

10.1107/S0108270192000192

0.71073

Mo

null

has coordinates

Blake, A. J.; Gould, R. O.; Johnson, B. F. G.; Parisini, E. Redetermination of the structure of potassium tetranitropalladate(II) Acta Crystallographica Section C 48(10) (1992) 1749-1751

176,435

2020-10-21

18:00:00

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2,000,506

8.703

0.002

16.025

0.008

6.799

0.002

90

null

100.83

0.02

90

null

931.3

0.6

null

6

C 1 2/c 1

-C 2yc

15

- C2 H8 Au Br N4 S2 -

- C8 H32 Au4 Br4 N16 S8 -

4

0.5

HH0577

Porter, L. C.; Fackler, Jnr, J. P.; Costamagna, J.; Schmidt, R.

Structure of bis(thiourea)gold(I) bromide, [Au{SC(NH~2~)~2~}~2~]Br

Acta Crystallographica Section C

1,992

48

10

1751

1754

10.1107/S0108270192001860

0.71073

Mo

null

has coordinates

Porter, L. C.; Fackler, Jnr, J. P.; Costamagna, J.; Schmidt, R. Structure of bis(thiourea)gold(I) bromide, [Au{SC(NH~2~)~2~}~2~]Br Acta Crystallographica Section C 48(10) (1992) 1751-1754

208,362

2020-10-21

18:00:00

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2,000,507

6.44

0.003

16.608

0.001

7.641

0.002

86.61

0.02

89.21

0.02

105.13

0.03

787.2

0.4

null

6

A -1

null

- C10 H24 Br Cl2 Cr N4 -

- C20 H48 Br2 Cl4 Cr2 N8 -

2

null

HE0038

Dealwis, C. G.; Janes, R. W.; Palmer, R. A.; Lisgarten, J. N.; Maes, D.; Flint, C. D.; Gazi, D. M.

Structures of chromium(III) cyclam complexes. 3. Structure of trans-dichloro(1,4,8,11-tetraazacyclotetradecane)chromium(III) bromide

Acta Crystallographica Section C

1,992

48

10

1754

1756

10.1107/S0108270192000040

1.54184

Cu

null

has coordinates

Dealwis, C. G.; Janes, R. W.; Palmer, R. A.; Lisgarten, J. N.; Maes, D.; Flint, C. D.; Gazi, D. M. Structures of chromium(III) cyclam complexes. 3. Structure of trans-dichloro(1,4,8,11-tetraazacyclotetradecane)chromium(III) bromide Acta Crystallographica Section C 48(10) (1992) 1754-1756

176,435

2020-10-21

18:00:00

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7,205,842

35.298

0.003

11.5573

0.0011

21.1145

0.0019

90

null

96.523

0.001

90

null

8,557.9

1.3

296

2

296

2

null

5

P 1 21/c 1

-P 2ybc

14

- C88 H80 N8 O16 Zn4 -

- C352 H320 N32 O64 Zn16 -

4

1

Liu, Guang-Zhen; Xin, Ling-Yun; Wang, Li-Ya

Ancillary ligand-mediated syntheses and fluorescence properties of zinc(ii) complexes based on flexible benzene dicarboxylic acid

CrystEngComm

2,011

13

8

3013

10.1039/c0ce00873g

0.71073

MoKα

0.1378

0.0636

null

0.1432

0.1655

null

1.017

null

has coordinates,has disorder

Liu, Guang-Zhen; Xin, Ling-Yun; Wang, Li-Ya Ancillary ligand-mediated syntheses and fluorescence properties of zinc(ii) complexes based on flexible benzene dicarboxylic acid CrystEngComm 13(8) (2011) 3013

180,389

2020-10-21

18:00:00

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2,000,508

7.775

0.001

7.775

0.001

13.686

0.002

90

null

90

null

90

null

827.33

0.19

null

6

P 42/m

-P 4c

null

- C10 H24 Br2 Cl Cr N4 -

- C10 H24 Br3 Cl2 Cr N4 -

- C20 H48 Br6 Cl4 Cr2 N8 -

2

0.25

HE0039

Chattopadhyay, T. K.; Palmer, R. A.; Lisgarten, J. N.; Wyns, L.; Gazi, D. M.

Structures of chromium(III) cyclam complexes. 4. Structure of trans-bromochloro(1,4,8,11-tetraazacyclotetradecane)chromium(III) bromide displaying structural enantiomorphism with the dibromo complex

Acta Crystallographica Section C

1,992

48

10

1756

1759

10.1107/S0108270192000039

0.71073

Mo

null

has coordinates

Chattopadhyay, T. K.; Palmer, R. A.; Lisgarten, J. N.; Wyns, L.; Gazi, D. M. Structures of chromium(III) cyclam complexes. 4. Structure of trans-bromochloro(1,4,8,11-tetraazacyclotetradecane)chromium(III) bromide displaying structural enantiomorphism with the dibromo complex Acta Crystallographica Section C 48(1...

176,435

2020-10-21

18:00:00

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2,000,509

10.704

0.001

19.562

0.003

19.823

0.003

90

null

90

null

90

null

4,150.8

1

null

4

P 21 21 21

P 2ac 2ab

19

- C54 H39 Nb O4 -

- C216 H156 Nb4 O16 -

4

1

HU0405

Yu, J. S.; Fanwick, P. E.; Rothwell, I. P.

Structure of a tetrahedral niobium oxo compound [Nb(OC~6~H~3~Ph~2~-2,6)~3~(O)]

Acta Crystallographica Section C

1,992

48

10

1759

1761

10.1107/S0108270192001744

0.71073

Mo

null

has coordinates

Yu, J. S.; Fanwick, P. E.; Rothwell, I. P. Structure of a tetrahedral niobium oxo compound [Nb(OC~6~H~3~Ph~2~-2,6)~3~(O)] Acta Crystallographica Section C 48(10) (1992) 1759-1761

301,791

2025-08-18

23:14:59

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7,205,841

7.66

0.003

10.26

0.004

12.88

0.005

110.07

0.005

93.73

0.005

105.24

0.005

903.8

0.6

293

2

293

2

null

5

P -1

-P 1

2

- C21 H16 N2 O4 Zn -

- C42 H32 N4 O8 Zn2 -

2

1

Liu, Guang-Zhen; Xin, Ling-Yun; Wang, Li-Ya

Ancillary ligand-mediated syntheses and fluorescence properties of zinc(ii) complexes based on flexible benzene dicarboxylic acid

CrystEngComm

2,011

13

8

3013

10.1039/c0ce00873g

0.71073

MoKα

0.0574

0.0466

null

0.1251

0.1337

null

1.124

null

has coordinates

Liu, Guang-Zhen; Xin, Ling-Yun; Wang, Li-Ya Ancillary ligand-mediated syntheses and fluorescence properties of zinc(ii) complexes based on flexible benzene dicarboxylic acid CrystEngComm 13(8) (2011) 3013

180,389

2020-10-21

18:00:00

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2,000,510

9.266

0.003

11.385

0.003

12.606

0.003

112.72

null

99.9

0.02

103.24

null

1,142.7

0.6

null

6

P -1

-P 1

2

- C46 H32 F12 Ni O6 P2 -

1

0.5

HH0620

Polam, J. R.; Porter, L. C.

Structure of bis(hexafluoroacetylacetonato)bis(triphenylphosphine oxide)nickel(II)

Acta Crystallographica Section C

1,992

48

10

1761

1764

10.1107/S0108270192001975

0.71073

MoKα

null

has coordinates

Polam, J. R.; Porter, L. C. Structure of bis(hexafluoroacetylacetonato)bis(triphenylphosphine oxide)nickel(II) Acta Crystallographica Section C 48(10) (1992) 1761-1764

301,791

2025-08-18

23:14:59

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2,000,511

9.89

0.004

10.942

0.004

11.114

0.004

100.48

0.03

105.45

0.03

108.87

0.03

1,048.5

0.8

null

5

P -1

-P 1

2

- C28 H24 F24 Ni2 O12 -

- C28 F24 Ni2 O12 -

1

0.5

HH0565

Romero, R. R.; Cervantes-Lee, F.; Porter, L. C.

Structure of μ-dioxane-bis[(ethanol)bis(hexafluoroacetylacetonato)nickel(II)]

Acta Crystallographica Section C

1,992

48

10

1764

1767

10.1107/S0108270192001884

0.71073

Mo

null

has coordinates

Romero, R. R.; Cervantes-Lee, F.; Porter, L. C. Structure of μ-dioxane-bis[(ethanol)bis(hexafluoroacetylacetonato)nickel(II)] Acta Crystallographica Section C 48(10) (1992) 1764-1767

278,247

2022-09-28

15:09:31

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2,000,512

19.759

0.003

17.016

0.003

13.661

0.003

90

null

90

null

90

null

4,593.1

1.5

null

6

P b c a

null

- C16 H32 Cl2 N4 Ni O8 -

- C128 H256 Cl16 N32 Ni8 O64 -

8

1

CR0408

Szalda, D. J.; Fujita, E.

Structures of racemic and meso (5,7,7,12,14,14-hexamethyl-1,4,8,11-tetraazacyclotetradeca-4,11-diene)nickel(II) perchlorate

Acta Crystallographica Section C

1,992

48

10

1767

1771

10.1107/S0108270192002397

0.71069

Mo

null

has coordinates

Szalda, D. J.; Fujita, E. Structures of racemic and meso (5,7,7,12,14,14-hexamethyl-1,4,8,11-tetraazacyclotetradeca-4,11-diene)nickel(II) perchlorate Acta Crystallographica Section C 48(10) (1992) 1767-1771

301,791

2025-08-18

23:14:59

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2,000,513

10.257

0.003

10.742

0.002

10.885

0.002

90

null

111.46

0.02

90

null

1,116.2

0.5

null

6

P 1 21/c 1

-P 2ybc

14

- C16 H32 Cl2 N4 Ni O8 -

- C32 H64 Cl4 N8 Ni2 O16 -

2

0.5

CR0408

Szalda, D. J.; Fujita, E.

Structures of racemic and meso (5,7,7,12,14,14-hexamethyl-1,4,8,11-tetraazacyclotetradeca-4,11-diene)nickel(II) perchlorate

Acta Crystallographica Section C

1,992

48

10

1767

1771

10.1107/S0108270192002397

0.71069

Mo

null

has coordinates

Szalda, D. J.; Fujita, E. Structures of racemic and meso (5,7,7,12,14,14-hexamethyl-1,4,8,11-tetraazacyclotetradeca-4,11-diene)nickel(II) perchlorate Acta Crystallographica Section C 48(10) (1992) 1767-1771

301,791

2025-08-18

23:14:59

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7,205,840

10.1829

0.0015

11.9666

0.0018

12.957

0.002

86.208

0.002

71.776

0.002

64.945

0.002

1,354.5

0.4

298

2

298

2

null

5

P -1

-P 1

2

- C29 H29.26 Co N2 O7.63 -

- C29 H29.258 Co N2 O7.629 -

- C58 H58.516 Co2 N4 O15.258 -

2

1

Liu, Jian-Qiang; Wang, Yao-Yu; Huang, Yun-Sheng

Structural variability of Co(ii) and Ni(ii) entangled metal‒organic frameworks: effect of N-donor ligands and metal ions

CrystEngComm

2,011

13

11

3733

10.1039/c0ce00871k

0.71073

MoKα

0.0852

0.054

null

0.1435

0.1832

null

0.951

null

has coordinates

Liu, Jian-Qiang; Wang, Yao-Yu; Huang, Yun-Sheng Structural variability of Co(ii) and Ni(ii) entangled metal‒organic frameworks: effect of N-donor ligands and metal ions CrystEngComm 13(11) (2011) 3733

176,432

2020-10-21

18:00:00

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2,000,514

8.641

0.005

9.478

0.002

12.338

0.005

75.58

0.03

80.39

0.04

63.75

0.03

875.8

0.7

null

3

P -1

-P 1

2

- C40 H58 Sc2 -

1

0.5

HH0622

Hajela, S.; Schaefer, W. P.; Bercaw, J. E.

Structure of a permethylcyclopentadienyl-μ-tetramethylcyclopentadienylmethylene scandium dimer

Acta Crystallographica Section C

1,992

48

10

1771

1773

10.1107/S0108270192002038

0.71073

MoKα

null

has coordinates

Hajela, S.; Schaefer, W. P.; Bercaw, J. E. Structure of a permethylcyclopentadienyl-μ-tetramethylcyclopentadienylmethylene scandium dimer Acta Crystallographica Section C 48(10) (1992) 1771-1773

301,791

2025-08-18

23:14:59

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2,000,515

13.11

0.008

17.163

0.015

20.623

0.014

104.02

0.07

99.38

0.05

100.24

0.06

4,326

6

null

7

P -1

-P 1

2

- C34 H64 Cl2 Li O2 Si3 Y -

- C34 Cl2 Li O2 Si3 Y -

- C136 Cl8 Li4 O8 Si12 Y4 -

4

2

HH0616

Marsh, R. E.; Schaefer, W. P.; Coughlin, E. B.; Bercaw, J. E.

A silicon-bridged bis(substituted Cp) yttrium complex

Acta Crystallographica Section C

1,992

48

10

1773

1776

10.1107/S0108270192001987

0.71073

Mo

null

has coordinates

Marsh, R. E.; Schaefer, W. P.; Coughlin, E. B.; Bercaw, J. E. A silicon-bridged bis(substituted Cp) yttrium complex Acta Crystallographica Section C 48(10) (1992) 1773-1776

287,963

2023-12-04

8:48:51

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2,000,516

8.625

0.002

20.593

0.008

14.451

0.004

90

null

90.32

0.02

90

null

2,566.7

1.4

null

5

P 1 21/n 1

-P 2yn

14

- C24 H32 N6 O1.5 Pt -

- C26 H34 N6 O2 Pt -

- C104 H136 N24 O8 Pt4 -

4

1

HH0621

Schaefer, W. P.; Connick, W. B.; Miskowski, V. M.; Gray, H. B.

A bis(pyrazolyl)(bipyridyl)platinum complex

Acta Crystallographica Section C

1,992

48

10

1776

1778

10.1107/S0108270192002026

0.71073

MoKα

null

has coordinates

Schaefer, W. P.; Connick, W. B.; Miskowski, V. M.; Gray, H. B. A bis(pyrazolyl)(bipyridyl)platinum complex Acta Crystallographica Section C 48(10) (1992) 1776-1778

278,324

2022-10-03

14:41:52

#------------------------------------------------------------------------------ #$Date: 2022-10-03 17:40:12 +0300 (Mon, 03 Oct 2022) $ #$Revision: 278324 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/05/2000516.cif $ #-------------------------------------------------------------------...

2,000,517

11.756

0.003

12.683

0.002

8.448

0.002

90

null

100.42

0.01

90

null

1,238.8

0.5

null

5

P 1 21/n 1

-P 2yn

14

- C12 H24 Br4 Hg2 S6 -

- C24 H48 Br8 Hg4 S12 -

2

0.5

AB0268

Herceg, M.; Matković-Čalogović, D.

Tetrabromo(1,4,7,10,13,16-hexathiacyclooctadecane)dimercury(II)

Acta Crystallographica Section C

1,992

48

10

1779

1782

10.1107/S0108270192002671

0.71073

Mo

null

has coordinates

Herceg, M.; Matković-Čalogović, D. Tetrabromo(1,4,7,10,13,16-hexathiacyclooctadecane)dimercury(II) Acta Crystallographica Section C 48(10) (1992) 1779-1782

206,335

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2018-02-09 13:26:18 +0200 (Fri, 09 Feb 2018) $ #$Revision: 206335 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/05/2000517.cif $ #-------------------------------------------------------------------...

2,000,518

8.471

0.001

10.157

0.001

14.821

0.003

102.81

0.01

97.74

0.01

103.52

0.01

1,185.4

0.3

null

5

P -1

-P 1

2

- C12 H36 Ca Cl2 O12 -

- C24 H72 Ca2 Cl4 O24 -

2

1

CD0085

Rogers, R. D.; Bond, A. H.

Structure of [Ca(triethylene glycol)~2~]Cl~2~.4H~2~O

Acta Crystallographica Section C

1,992

48

10

1782

1785

10.1107/S010827019200235X

0.71073

Mo

null

has coordinates

Rogers, R. D.; Bond, A. H. Structure of [Ca(triethylene glycol)~2~]Cl~2~.4H~2~O Acta Crystallographica Section C 48(10) (1992) 1782-1785

208,360

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2018-06-14 04:32:00 +0300 (Thu, 14 Jun 2018) $ #$Revision: 208360 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/05/2000518.cif $ #-------------------------------------------------------------------...

7,205,839

10.736

0.006

11.514

0.006

13.49

0.007

83.963

0.007

77.484

0.006

63.637

0.005

1,458.5

1.3

298

2

298

2

null

5

P -1

-P 1

2

- C30 H32 N2 Ni O8 -

- C60 H64 N4 Ni2 O16 -

2

1

Liu, Jian-Qiang; Wang, Yao-Yu; Huang, Yun-Sheng

Structural variability of Co(ii) and Ni(ii) entangled metal‒organic frameworks: effect of N-donor ligands and metal ions

CrystEngComm

2,011

13

11

3733

10.1039/c0ce00871k

0.71073

MoKα

0.1324

0.0716

null

0.165

0.1998

null

1.004

null

has coordinates

Liu, Jian-Qiang; Wang, Yao-Yu; Huang, Yun-Sheng Structural variability of Co(ii) and Ni(ii) entangled metal‒organic frameworks: effect of N-donor ligands and metal ions CrystEngComm 13(11) (2011) 3733

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/7/20/58/7205839.cif $ #-------------------------------------------------------------------...

2,000,519

19.113

0.003

15.079

0.002

5.782

0.001

90

null

90

null

90

null

1,666.4

0.4

null

5

P 21 21 21

P 2ac 2ab

null

- C13 H18 Cu N4 O7 -

- C13 H17 Cu N4 O7 -

- C52 H68 Cu4 N16 O28 -

4

1

MU0253

Solans, X.; Ruíz-Ramírez, L.; Martínez, A.; Gasque, L.; Moreno-Esparza, R.

Mixed chelate complexes. III. Structures of (L-alaninato)(aqua)(2,2'-bipyridine)copper(II) nitrate monohydrate and aqua(2,2'-bipyridine)(L-tyrosinato)copper(II) chloride trihydrate

Acta Crystallographica Section C

1,992

48

10

1785

1788

10.1107/S0108270192000568

0.71069

Mo

null

has coordinates

Solans, X.; Ruíz-Ramírez, L.; Martínez, A.; Gasque, L.; Moreno-Esparza, R. Mixed chelate complexes. III. Structures of (L-alaninato)(aqua)(2,2'-bipyridine)copper(II) nitrate monohydrate and aqua(2,2'-bipyridine)(L-tyrosinato)copper(II) chloride trihydrate Acta Crystallographica Section C 4...

191,052

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-01-28 15:17:48 +0200 (Sat, 28 Jan 2017) $ #$Revision: 191052 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/05/2000519.cif $ #-------------------------------------------------------------------...

2,000,520

9.307

0.002

9.307

0.002

44.432

null

90

null

90

null

120

null

3,333.1

1

null

6

P 61

null

- C19 H26 Cl Cu N3 O7 -

- C19 H14 Cl Cu N3 O7 -

- C114 H84 Cl6 Cu6 N18 O42 -

6

1

MU0253

Solans, X.; Ruíz-Ramírez, L.; Martínez, A.; Gasque, L.; Moreno-Esparza, R.

Mixed chelate complexes. III. Structures of (L-alaninato)(aqua)(2,2'-bipyridine)copper(II) nitrate monohydrate and aqua(2,2'-bipyridine)(L-tyrosinato)copper(II) chloride trihydrate

Acta Crystallographica Section C

1,992

48

10

1785

1788

10.1107/S0108270192000568

0.71069

Mo

null

has coordinates

Solans, X.; Ruíz-Ramírez, L.; Martínez, A.; Gasque, L.; Moreno-Esparza, R. Mixed chelate complexes. III. Structures of (L-alaninato)(aqua)(2,2'-bipyridine)copper(II) nitrate monohydrate and aqua(2,2'-bipyridine)(L-tyrosinato)copper(II) chloride trihydrate Acta Crystallographica Section C 4...

191,086

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-01-30 14:41:22 +0200 (Mon, 30 Jan 2017) $ #$Revision: 191086 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/05/2000520.cif $ #-------------------------------------------------------------------...

7,205,838

16.713

0.003

21.571

0.003

26.609

0.004

90

null

105.28

0.002

90

null

9,254

3

298

2

298

2

null

5

C 1 2/c 1

-C 2yc

15

- C84 H64 Co3 N6 O20 -

- C336 H256 Co12 N24 O80 -

4

0.5

Liu, Jian-Qiang; Wang, Yao-Yu; Huang, Yun-Sheng

Structural variability of Co(ii) and Ni(ii) entangled metal‒organic frameworks: effect of N-donor ligands and metal ions

CrystEngComm

2,011

13

11

3733

10.1039/c0ce00871k

0.71073

MoKα

0.1169

0.0613

null

0.1697

0.1901

null

0.968

null

has coordinates,has disorder

Liu, Jian-Qiang; Wang, Yao-Yu; Huang, Yun-Sheng Structural variability of Co(ii) and Ni(ii) entangled metal‒organic frameworks: effect of N-donor ligands and metal ions CrystEngComm 13(11) (2011) 3733

180,389

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-26 17:21:16 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180389 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/58/7205838.cif $ #-------------------------------------------------------------------...

2,000,521

9.188

0.003

14.229

0.002

10.628

0.012

90

null

104.74

0.06

90

null

1,343.7

1.6

null

4

P 1 21/c 1

-P 2ybc

14

- C11 H19 I O2 -

- C44 H76 I4 O8 -

4

1

PA0268

Sans-Lenain, S.; Reynes, A.; Gleizes, A.

4-Iodo-2,2,6,6-tetramethylheptane-3,5-dione

Acta Crystallographica Section C

1,992

48

10

1788

1791

10.1107/S0108270192001537

0.71069

Mo

null

has coordinates

Sans-Lenain, S.; Reynes, A.; Gleizes, A. 4-Iodo-2,2,6,6-tetramethylheptane-3,5-dione Acta Crystallographica Section C 48(10) (1992) 1788-1791

301,791

2025-08-18

23:14:59

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/05/2000521.cif $ #-------------------------------------------------------------------...

2,000,522

16.247

0.009

11.182

0.007

13.42

0.006

90

null

91.62

0.04

90

null

2,437

2

null

5

C 1 2 1

null

- C21 H25 N O10 S -

- C84 H100 N4 O40 S4 -

4

1

PA0259

Durier, V.; Driguez, H.; Rollin, P.; Duee, E.; Buisson, G.

Stereochemical investigation of 2,3,4,6-tetra-O-acetyl-1-S-benzhydroximoyl-α-D-glucopyranose

Acta Crystallographica Section C

1,992

48

10

1791

1794

10.1107/S0108270192001550

0.711

Mo

null

has coordinates

Durier, V.; Driguez, H.; Rollin, P.; Duee, E.; Buisson, G. Stereochemical investigation of 2,3,4,6-tetra-O-acetyl-1-S-benzhydroximoyl-α-D-glucopyranose Acta Crystallographica Section C 48(10) (1992) 1791-1794

301,791

2025-08-18

23:14:59

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/05/2000522.cif $ #-------------------------------------------------------------------...

2,000,523

9.7768

0.0004

10.6279

0.0003

15.3157

0.0004

90

null

90

null

90

null

1,591.41

0.09

null

5

P 21 21 21

P 2ac 2ab

19

- C15 H23 Cl N2 O -

- C15 H19 Cl N2 O -

- C60 H76 Cl4 N8 O4 -

4

1

KA0013

Csöregh, I.

Structures and absolute configurations of enantiomers of two local anaesthetics: (2S)-1-methyl- and (2R)-1-butyl-2',6'-pipecoloxylidide hydrochlorides

Acta Crystallographica Section C

1,992

48

10

1794

1798

10.1107/S0108270192001604

1.54183

Cu

null

has coordinates

Csöregh, I. Structures and absolute configurations of enantiomers of two local anaesthetics: (2S)-1-methyl- and (2R)-1-butyl-2',6'-pipecoloxylidide hydrochlorides Acta Crystallographica Section C 48(10) (1992) 1794-1798

208,466

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2018-06-17 18:45:41 +0300 (Sun, 17 Jun 2018) $ #$Revision: 208466 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/05/2000523.cif $ #-------------------------------------------------------------------...

2,000,524

9.7018

0.0006

10.9221

0.0008

9.9519

0.0007

90

null

114.38

0.06

90

null

960.5

0.5

null

5

P 1 21 1

null

- C18 H30 Cl N2 O -

- C18 H29 Cl N2 O -

- C36 H58 Cl2 N4 O2 -

2

1

KA0013

Csöregh, I.

Structures and absolute configurations of enantiomers of two local anaesthetics: (2S)-1-methyl- and (2R)-1-butyl-2',6'-pipecoloxylidide hydrochlorides

Acta Crystallographica Section C

1,992

48

10

1794

1798

10.1107/S0108270192001604

1.54183

Cu

null

has coordinates

Csöregh, I. Structures and absolute configurations of enantiomers of two local anaesthetics: (2S)-1-methyl- and (2R)-1-butyl-2',6'-pipecoloxylidide hydrochlorides Acta Crystallographica Section C 48(10) (1992) 1794-1798

176,435

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/05/2000524.cif $ #-------------------------------------------------------------------...

2,000,525

24.324

0.004

6.537

0.002

15.598

0.002

90

null

93.52

0.01

90

null

2,475.5

0.9

null

4

C 1 2/c 1

-C 2yc

null

- C15 H11 Cl O2 -

- C120 H88 Cl8 O16 -

8

1

GE0304

Gilli, P.; Ferretti, V.; Bertolasi, V.; Gilli, G.

Structure of 3-(p-chlorophenyl)-1-phenyl-1,3-propanedione enol

Acta Crystallographica Section C

1,992

48

10

1798

1801

10.1107/S0108270192001719

0.71069

Mo

null

has coordinates

Gilli, P.; Ferretti, V.; Bertolasi, V.; Gilli, G. Structure of 3-(p-chlorophenyl)-1-phenyl-1,3-propanedione enol Acta Crystallographica Section C 48(10) (1992) 1798-1801

301,791

2025-08-18

23:14:59

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/05/2000525.cif $ #-------------------------------------------------------------------...

7,205,837

5.269

0.0011

18.18

0.004

6.554

0.0013

90

null

111.89

0.03

90

null

582.5

0.2

12

2

12

2

null

4

P 1 21/c 1

-P 2ybc

14

Bis_1H-1,2,4-TriazoleSuccinic_Acid

- C8 H12 N6 O4 -

- C16 H24 N12 O8 -

2

0.5

Pogorzelec-Glaser, Katarzyna; Pietraszko, Adam; Baran, Jan; Hilczer, Bożena; Małecki, Jerzy; Połomska, Maria; Ławniczak, Paweł

Structure and molecular dynamics of bis-1H-1,2,4-triazole succinic acid complex crystals

CrystEngComm

2,011

13

11

3698

10.1039/c0ce00866d

0.71073

MoKα

0.0708

0.0516

null

0.1091

0.1146

null

1.134

null

has coordinates

Pogorzelec-Glaser, Katarzyna; Pietraszko, Adam; Baran, Jan; Hilczer, Bożena; Małecki, Jerzy; Połomska, Maria; Ławniczak, Paweł Structure and molecular dynamics of bis-1H-1,2,4-triazole succinic acid complex crystals CrystEngComm 13(11) (2011) 3698

301,863

2025-08-22

13:07:26

#------------------------------------------------------------------------------ #$Date: 2025-08-22 15:50:14 +0300 (Fri, 22 Aug 2025) $ #$Revision: 301863 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/58/7205837.cif $ #-------------------------------------------------------------------...

2,000,526

6.161

0.002

8.045

0.003

20.811

0.006

90

null

90

null

90

null

1,031.5

0.6

null

4

P 21 21 21

P 2ac 2ab

null

- C11 H14 N2 O -

- C44 H56 N8 O4 -

4

1

AL0526

Regan, A. C.; Wallis, J. D.; Povey, D. C.

A urea with non-planar nitrogen-bonding geometry

Acta Crystallographica Section C

1,992

48

10

1801

1804

10.1107/S0108270192001641

0.71069

Mo

null

has coordinates

Regan, A. C.; Wallis, J. D.; Povey, D. C. A urea with non-planar nitrogen-bonding geometry Acta Crystallographica Section C 48(10) (1992) 1801-1804

301,791

2025-08-18

23:14:59

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/05/2000526.cif $ #-------------------------------------------------------------------...

2,000,527

9.821

0.001

10.222

0.003

13.871

0.001

90

null

90

null

90

null

1,392.5

0.4

null

5

P 21 21 21

P 2ac 2ab

19

- C12 H22 Cl N O3 -

- C48 H88 Cl4 N4 O12 -

4

1

PA0272

Dupont, L.; Dideberg, O.; Pardon, M. C.; Piette, J. L.

Structure du chlorhydrate de (1R,2S)(3-hydroxy-3-m-hydroxyphényl-2-propyl)triméthylammonium monohydrate

Acta Crystallographica Section C

1,992

48

10

1804

1806

10.1107/S0108270192001562

1.5418

Cu

null

has coordinates

Dupont, L.; Dideberg, O.; Pardon, M. C.; Piette, J. L. Structure du chlorhydrate de (1R,2S)(3-hydroxy-3-m-hydroxyphényl-2-propyl)triméthylammonium monohydrate Acta Crystallographica Section C 48(10) (1992) 1804-1806

301,791

2025-08-18

23:14:59

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/05/2000527.cif $ #-------------------------------------------------------------------...

2,000,528

11

0.02

7.48

0.01

7.49

0.01

90

null

114.3

0.1

90

null

561.7

1.5

null

4

P 1 21 1

null

- C12 H17 N O2 -

- C24 H34 N2 O4 -

2

1

PA0249

Lapasset, J.; El Marini, A.; Roumestant, M. L.; Vidal, Y.; Viallefont, P.

Structure of the lactonic adduct from 2-hydroxypinan-3-one and glycine

Acta Crystallographica Section C

1,992

48

10

1806

1808

10.1107/S0108270192001823

1.5418

Cu

null

has coordinates

Lapasset, J.; El Marini, A.; Roumestant, M. L.; Vidal, Y.; Viallefont, P. Structure of the lactonic adduct from 2-hydroxypinan-3-one and glycine Acta Crystallographica Section C 48(10) (1992) 1806-1808

301,791

2025-08-18

23:14:59

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/05/2000528.cif $ #-------------------------------------------------------------------...

2,000,529

16.398

0.007

8.128

0.003

7.937

0.003

90

null

92.13

null

90

null

1,057.1

0.7

null

4

P 1 21/a 1

-P 2yab

14

- C10 H12 O2 S2 -

- C40 H48 O8 S8 -

4

1

PA0269

Ginderow, D.; Mornon, J.-P.; Erdelmeier, I.; Dansette, P.; Mansuy, D.

Structure du 2,3-dihydro-3-(2-hydroxyéthylthio)benzo[b]thiophène 1-oxyde, C~10~H~12~O~2~S~2~

Acta Crystallographica Section C

1,992

48

10

1808

1810

10.1107/S0108270192002002

1.5418

Cu

null

has coordinates

Ginderow, D.; Mornon, J.-P.; Erdelmeier, I.; Dansette, P.; Mansuy, D. Structure du 2,3-dihydro-3-(2-hydroxyéthylthio)benzo[b]thiophène 1-oxyde, C~10~H~12~O~2~S~2~ Acta Crystallographica Section C 48(10) (1992) 1808-1810

301,791

2025-08-18

23:14:59

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/05/2000529.cif $ #-------------------------------------------------------------------...

7,205,836

5.354

0.0011

18.372

0.004

6.8327

0.0014

90

null

113.85

0.03

90

null

614.7

0.3

293

2

293

2

null

4

P 1 21/c 1

-P 2ybc

14

Bis_1H-1,2,4-Triazole_Succinic_Acid

- C8 H12 N6 O4 -

- C16 H24 N12 O8 -

2

0.5

Pogorzelec-Glaser, Katarzyna; Pietraszko, Adam; Baran, Jan; Hilczer, Bożena; Małecki, Jerzy; Połomska, Maria; Ławniczak, Paweł

Structure and molecular dynamics of bis-1H-1,2,4-triazole succinic acid complex crystals

CrystEngComm

2,011

13

11

3698

10.1039/c0ce00866d

0.71073

MoKα

0.1311

0.0566

null

0.0782

0.0886

null

1.179

null

has coordinates

Pogorzelec-Glaser, Katarzyna; Pietraszko, Adam; Baran, Jan; Hilczer, Bożena; Małecki, Jerzy; Połomska, Maria; Ławniczak, Paweł Structure and molecular dynamics of bis-1H-1,2,4-triazole succinic acid complex crystals CrystEngComm 13(11) (2011) 3698

301,863

2025-08-22

13:07:26

#------------------------------------------------------------------------------ #$Date: 2025-08-22 15:50:14 +0300 (Fri, 22 Aug 2025) $ #$Revision: 301863 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/58/7205836.cif $ #-------------------------------------------------------------------...

2,000,530

18.917

0.01

11.843

0.008

13.177

0.007

90

null

90

null

90

null

2,952

3

null

3

P b c n

null

- C18 H18 O2 -

- C144 H144 O16 -

8

1

CR0397

Meyers, C. Y.; Tunnell, J. L.; Robinson, P. D.; Hua, D. H.; Saha, S.

Structure of sp-9-hydroxy-9-pivaloylfluorene, product of base-catalyzed autoxidation of ap-9-pivaloylfluorene

Acta Crystallographica Section C

1,992

48

10

1815

1818

10.1107/S0108270192002014

0.71069

Mo

null

has coordinates

Meyers, C. Y.; Tunnell, J. L.; Robinson, P. D.; Hua, D. H.; Saha, S. Structure of sp-9-hydroxy-9-pivaloylfluorene, product of base-catalyzed autoxidation of ap-9-pivaloylfluorene Acta Crystallographica Section C 48(10) (1992) 1815-1818

301,791

2025-08-18

23:14:59

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/05/2000530.cif $ #-------------------------------------------------------------------...

2,000,531

15.582

0.005

15.582

0.005

17.528

0.005

90

null

90

null

90

null

4,256

2

null

4

I 41 c d

I 4bw -2c

110

- C11 H14 N2 O2 -

- C176 H224 N32 O32 -

16

1

NA1000

Maurin, J. K.; Paul, I. C.; Curtin, D. Y.

Structure of (E)-4-benzoylbutyramide oxime

Acta Crystallographica Section C

1,992

48

10

1819

1821

10.1107/S0108270192004463

0.71073

Mo

null

has coordinates

Maurin, J. K.; Paul, I. C.; Curtin, D. Y. Structure of (E)-4-benzoylbutyramide oxime Acta Crystallographica Section C 48(10) (1992) 1819-1821

301,791

2025-08-18

23:14:59

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/05/2000531.cif $ #-------------------------------------------------------------------...

2,000,532

7.9333

0.0007

25.947

0.002

11.855

0.001

90

null

90

null

90

null

2,440.3

0.4

null

4

P b c a

-P 2ac 2ab

null

- C14 H12 N2 O2 -

- C112 H96 N16 O16 -

8

1

NA1001

Maurin, J. K.; Paul, I. C.; Curtin, D. Y.

Structure of 3-benzoylbenzamide oxime

Acta Crystallographica Section C

1,992

48

10

1821

1823

10.1107/S010827019200458X

0.71073

Mo

null

has coordinates

Maurin, J. K.; Paul, I. C.; Curtin, D. Y. Structure of 3-benzoylbenzamide oxime Acta Crystallographica Section C 48(10) (1992) 1821-1823

301,791

2025-08-18

23:14:59

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/05/2000532.cif $ #-------------------------------------------------------------------...

2,000,533

14.348

0.004

13.086

0.004

11.851

0.002

90

null

90

null

90

null

2,225.1

1

296

1

296

1

null

3

P 21 21 21

P 2ac 2ab

19

- C24 H36 O6 -

- C96 H144 O24 -

4

1

NA0013

Argay, G.; Kálmán, A.; Ribár, B.; Živanov-Stakic, D.; Vladimirov, S.

Structures of two bufadienolides: telocinobufagin (3β,5β-dihydroxy-5β,14β-bufa-20,22-dienolide) monohydrate and 14α-artebufogenin (3β-hydroxy-15-oxo-5β,14α-bufa-20,22-dienolide)

Acta Crystallographica Section C

1,992

48

10

1823

1827

10.1107/S0108270192001859

0.71073

X-rayMoKalphamean

0.079

0.042

null

0.044

null

0.82

null

has coordinates

Argay, G.; Kálmán, A.; Ribár, B.; Živanov-Stakic, D.; Vladimirov, S. Structures of two bufadienolides: telocinobufagin (3β,5β-dihydroxy-5β,14β-bufa-20,22-dienolide) monohydrate and 14α-artebufogenin (3β-hydroxy-15-oxo-5β,14α-bufa-20,22-dienolide) Acta Crystallographica Section C 48(10) (1992) 1823-1827

301,791

2025-08-18

23:14:59

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2,000,534

7.92

0.001

11.507

0.001

22.519

0.002

90

null

90

null

90

null

2,052.3

0.4

296

1

296

1

null

3

P 21 21 21

P 2ac 2ab

19

- C24 H32 O4 -

- C96 H128 O16 -

4

1

NA0013

Argay, G.; Kálmán, A.; Ribár, B.; Živanov-Stakic, D.; Vladimirov, S.

Structures of two bufadienolides: telocinobufagin (3β,5β-dihydroxy-5β,14β-bufa-20,22-dienolide) monohydrate and 14α-artebufogenin (3β-hydroxy-15-oxo-5β,14α-bufa-20,22-dienolide)

Acta Crystallographica Section C

1,992

48

10

1823

1827

10.1107/S0108270192001859

1.54184

X-rayCu-Kalpha

0.069

0.047

null

0.041

null

0.68

null

has coordinates

Argay, G.; Kálmán, A.; Ribár, B.; Živanov-Stakic, D.; Vladimirov, S. Structures of two bufadienolides: telocinobufagin (3β,5β-dihydroxy-5β,14β-bufa-20,22-dienolide) monohydrate and 14α-artebufogenin (3β-hydroxy-15-oxo-5β,14α-bufa-20,22-dienolide) Acta Crystallographica Section C 48(10) (1992) 1823-1827

301,791

2025-08-18

23:14:59

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7,205,835

9.324

0.004

9.821

0.004

16.303

0.007

87.715

0.012

77.376

0.013

72.201

0.009

1,386.5

1

293

2

293

2

null

5

P -1

-P 1

2

- C54 H66 Mn3 N0 O18 -

- C54 H64 Mn3 O18 -

1

0.5

Tian, Chong-Bin; He, Zhang-Zhen; Li, Zhi-Hua; Lin, Ping; Du, Shao-Wu

Two new ferrimagnetic MnII-carboxylate coordination polymers constructed from 5-tert-butyl isophthalic acid with (5/2, 15/2) and (5/2, 10/2) spin topologies

CrystEngComm

2,011

13

8

3080

10.1039/c0ce00864h

0.71073

MoKα

0.0725

0.0534

null

0.1303

0.1436

null

1.051

null

has coordinates

Tian, Chong-Bin; He, Zhang-Zhen; Li, Zhi-Hua; Lin, Ping; Du, Shao-Wu Two new ferrimagnetic MnII-carboxylate coordination polymers constructed from 5-tert-butyl isophthalic acid with (5/2, 15/2) and (5/2, 10/2) spin topologies CrystEngComm 13(8) (2011) 3080

180,389

2020-10-21

18:00:00

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2,000,535

19.95

0.01

9.782

0.005

22.07

0.01

90

null

102.82

0.03

90

null

4,200

4

293

null

293

null

5

P 1 21/n 1

-P 2yn

14

- C24 H25 F N4 O2 -

- C192 H200 F8 N32 O16 -

8

2

NA0018

Jottier, W. I.; De Winter, H. L.; Peeters, O. M.; Blaton, N. M.; De Ranter, C. J.

Structure of the antipsychotic drug 3-{2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl}-2,9-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one (ocaperidone)

Acta Crystallographica Section C

1,992

48

10

1827

1830

10.1107/S0108270192001677

0.71069

Mo-Kalpha

null

0.071

null

0.075

null

2.71

null

has coordinates,has disorder

Jottier, W. I.; De Winter, H. L.; Peeters, O. M.; Blaton, N. M.; De Ranter, C. J. Structure of the antipsychotic drug 3-{2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl}-2,9-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one (ocaperidone) Acta Crystallographica Section C 48(10) (1992) 1827-1830

301,791

2025-08-18

23:14:59

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2,000,536

12.618

0.004

12.618

0.004

12.618

0.004

90

null

90

null

90

null

2,009

1.1

null

4

I -4 3 d

null

- B K O6 Si2 -

- B3 K O6 Si3 -

- B48 K16 O96 Si48 -

16

0.333333

KA0017

Mikloš, D.; Smrčok, Ľ.; Ďurovič, S.; Gyepesová, D.; Handlovič, M.

Refinement of the structure of boroleucite, K(BSi~2~O~6~)

Acta Crystallographica Section C

1,992

48

10

1831

1832

10.1107/S0108270192002270

0.71073

Mo

null

has coordinates

Mikloš, D.; Smrčok, Ľ.; Ďurovič, S.; Gyepesová, D.; Handlovič, M. Refinement of the structure of boroleucite, K(BSi~2~O~6~) Acta Crystallographica Section C 48(10) (1992) 1831-1832

176,435

2020-10-21

18:00:00

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2,000,537

9.875

0.003

14.794

0.005

14.917

0.005

71.99

0.02

70.41

0.02

74.67

0.02

1,920.8

1.1

null

6

P -1

-P 1

2

- C44 H39 Cl2 Mn O P2 -

- C88 H78 Cl4 Mn2 O2 P4 -

2

1

HH0611

Rheingold, A. L.; White, C. B.; Haggerty, B. S.; Terry, M. R.; Geoffroy, G. L.

Carbonyl(1-methyl-η^5^-cyclopentadienyl)bis(triphenylphosphine)manganese dichloromethane solvate

Acta Crystallographica Section C

1,992

48

10

1832

1834

10.1107/S0108270192002191

0.71073

Mo

null

has coordinates

Rheingold, A. L.; White, C. B.; Haggerty, B. S.; Terry, M. R.; Geoffroy, G. L. Carbonyl(1-methyl-η^5^-cyclopentadienyl)bis(triphenylphosphine)manganese dichloromethane solvate Acta Crystallographica Section C 48(10) (1992) 1832-1834

202,203

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-10-20 19:45:25 +0300 (Fri, 20 Oct 2017) $ #$Revision: 202203 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/05/2000537.cif $ #-------------------------------------------------------------------...

7,205,834

11.6608

0.0006

39.3981

0.0019

24.4617

0.0012

90

null

101.297

0.003

90

null

11,020.3

1

293

2

293

2

null

6

C 1 2/c 1

-C 2yc

15

- C50 H60 Cl0 Mn4 N0 O20 -

- C50 H56 Mn4 O20 -

- C400 H448 Mn32 O160 -

8

1

Tian, Chong-Bin; He, Zhang-Zhen; Li, Zhi-Hua; Lin, Ping; Du, Shao-Wu

Two new ferrimagnetic MnII-carboxylate coordination polymers constructed from 5-tert-butyl isophthalic acid with (5/2, 15/2) and (5/2, 10/2) spin topologies

CrystEngComm

2,011

13

8

3080

10.1039/c0ce00864h

0.71073

MoKα

0.0628

0.0574

null

0.1828

0.1885

null

0.991

null

has coordinates,has disorder

Tian, Chong-Bin; He, Zhang-Zhen; Li, Zhi-Hua; Lin, Ping; Du, Shao-Wu Two new ferrimagnetic MnII-carboxylate coordination polymers constructed from 5-tert-butyl isophthalic acid with (5/2, 15/2) and (5/2, 10/2) spin topologies CrystEngComm 13(8) (2011) 3080

180,389

2020-10-21

18:00:00

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2,000,538

10.721

0.001

10.716

0.001

16.365

0.002

90

null

90

null

90

null

1,880.1

0.3

null

6

P 21 21 21

P 2ac 2ab

19

- C16 H20 Cl P Se Sn -

- C64 H80 Cl4 P4 Se4 Sn4 -

4

1

AL0530

Preut, H.; Godry, B.; Mitchell, T. N.

Structure of [2-(chlorodimethylstannyl)ethyl]diphenylphosphine selenide

Acta Crystallographica Section C

1,992

48

10

1834

1835

10.1107/S0108270192001793

0.71073

Mo

null

has coordinates

Preut, H.; Godry, B.; Mitchell, T. N. Structure of [2-(chlorodimethylstannyl)ethyl]diphenylphosphine selenide Acta Crystallographica Section C 48(10) (1992) 1834-1835

208,466

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2018-06-17 18:45:41 +0300 (Sun, 17 Jun 2018) $ #$Revision: 208466 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/05/2000538.cif $ #-------------------------------------------------------------------...

2,000,539

15.783

0.003

15.783

0.003

16.965

0.008

90

null

90

null

90

null

4,226

2

null

5

I 41/a c d

-I 4bd 2c

null

- C20 H20 Cl2 N4 Ni -

- C160 H160 Cl16 N32 Ni8 -

8

null

HH0615

Bachman, R. E.; Whitmire, K. H.; Mandal, S.; Bharadwaj, P. K.

Dichlorotetrakis(pyridine)nickel(II)

Acta Crystallographica Section C

1,992

48

10

1836

1837

10.1107/S0108270192001872

0.71069

Mo

null

has coordinates

Bachman, R. E.; Whitmire, K. H.; Mandal, S.; Bharadwaj, P. K. Dichlorotetrakis(pyridine)nickel(II) Acta Crystallographica Section C 48(10) (1992) 1836-1837

176,435

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/05/2000539.cif $ #-------------------------------------------------------------------...

2,000,540

7.101

0.002

13.92

0.003

19.05

0.004

90

null

98.47

0.02

90

null

1,862.5

0.8

null

5

P 1 21/c 1

-P 2ybc

14

- C12 H14 Cl4 N6 Ti2 -

- C48 H56 Cl16 N24 Ti8 -

4

1

CR0406

Kirschbaum, K.; Giolando, D. M.

Structure of the μ-azido-dichloro(η^5^-methylcyclopentadienyl)titanium(IV) dimer

Acta Crystallographica Section C

1,992

48

10

1837

1839

10.1107/S0108270192002385

0.71073

Mo

null

has coordinates

Kirschbaum, K.; Giolando, D. M. Structure of the μ-azido-dichloro(η^5^-methylcyclopentadienyl)titanium(IV) dimer Acta Crystallographica Section C 48(10) (1992) 1837-1839

208,377

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2018-06-14 15:53:24 +0300 (Thu, 14 Jun 2018) $ #$Revision: 208377 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/05/2000540.cif $ #-------------------------------------------------------------------...

2,000,541

10.671

0.001

11.777

0.002

25.494

0.001

90

null

98.148

0.005

90

null

3,171.5

0.6

null

6

P 1 21/c 1

-P 2ybc

null

- C36 H30 Cl O P Sn -

- C144 H120 Cl4 O4 P4 Sn4 -

4

1

AS0567

Ng, S. W.; Kumar Das, V. G.

Structure of triphenyltin chloride-triphenylphosphine oxide (1/1) complex

Acta Crystallographica Section C

1,992

48

10

1839

1841

10.1107/S0108270192001306

0.71073

Mo

null

has coordinates

Ng, S. W.; Kumar Das, V. G. Structure of triphenyltin chloride-triphenylphosphine oxide (1/1) complex Acta Crystallographica Section C 48(10) (1992) 1839-1841

176,435

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/05/2000541.cif $ #-------------------------------------------------------------------...

2,000,542

11.732

0.005

12.404

0.004

16.194

0.005

90

null

108.8

0.03

90

null

2,230.9

1.4

null

6

P 1 21/n 1

-P 2yn

14

- C25 H16 Cl Co N4 O7 -

- C100 H64 Cl4 Co4 N16 O28 -

4

1

AL0481

McAuliffe, C. A.; Pritchard, R. G.; Bermejo, M. R.; Garcia-Vazquez, A.; Macias, A.; Sanmartín, J.; Romero, J.; Sousa, A.

Carbonatobis(1,10-phenanthroline)cobalt(III) perchlorate

Acta Crystallographica Section C

1,992

48

10

1841

1842

10.1107/S0108270192002105

0.71069

Mo

null

has coordinates

McAuliffe, C. A.; Pritchard, R. G.; Bermejo, M. R.; Garcia-Vazquez, A.; Macias, A.; Sanmartín, J.; Romero, J.; Sousa, A. Carbonatobis(1,10-phenanthroline)cobalt(III) perchlorate Acta Crystallographica Section C 48(10) (1992) 1841-1842

301,791

2025-08-18

23:14:59

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7,205,833

7.6036

0.0001

8.548

0.0001

13.8275

0.0002

90

null

90.3164

0.0007

90

null

898.71

0.02

100

2

100

2

null

4

P 1 21/c 1

-P 2ybc

14

- C12 H28 N8 O4 -

- C24 H56 N16 O8 -

2

0.5

Bushmarinov, Ivan S.; Nabiev, Orudzh G.; Kostyanovsky, Remir G.; Antipin, Mikhail Yu.; Lyssenko, Konstantin A.

The azide anion as a building block in crystal engineering from a charge density point of view

CrystEngComm

2,011

13

8

2930

10.1039/c0ce00859a

0.71073

MoKα

0.074

0.0401

null

0.1021

0.1222

null

1.005

null

has coordinates

Bushmarinov, Ivan S.; Nabiev, Orudzh G.; Kostyanovsky, Remir G.; Antipin, Mikhail Yu.; Lyssenko, Konstantin A. The azide anion as a building block in crystal engineering from a charge density point of view CrystEngComm 13(8) (2011) 2930

301,863

2025-08-22

13:07:26

#------------------------------------------------------------------------------ #$Date: 2025-08-22 15:50:14 +0300 (Fri, 22 Aug 2025) $ #$Revision: 301863 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/58/7205833.cif $ #-------------------------------------------------------------------...

2,000,543

6.701

0.001

8.674

0.001

9.179

0.001

83.5

0.01

89.37

0.01

74.35

0.01

510.34

0.11

null

7

P -1

-P 1

2

- C4 H8 Cl8 F6 Mo2 N4 O2 -

1

0.5

SE1001

Herbst-Irmer, R.; Egert, E.

Structure of bis(trifluoracetamidinium) di-μ-chloro-hexachlorodioxodimolybdate(V)

Acta Crystallographica Section C

1,992

48

10

1843

1844

10.1107/S0108270192002488

0.7107

Mo

null

has coordinates

Herbst-Irmer, R.; Egert, E. Structure of bis(trifluoracetamidinium) di-μ-chloro-hexachlorodioxodimolybdate(V) Acta Crystallographica Section C 48(10) (1992) 1843-1844

301,791

2025-08-18

23:14:59

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2,000,544

12.379

0.005

13.79

0.006

16.031

0.006

90

null

99.73

0.04

90

null

2,697.2

1.9

null

8

P 1 21/c 1

null

- C14 H27 B Cl3 F4 N Ni2 S6 -

- C14 H27 B Cl3 F6 N Ni2 S6 -

- C56 H108 B4 Cl12 F24 N4 Ni8 S24 -

4

1

HA0100

Blake, A. J.; Halcrow, M. A.; Schröder, M.

Tri-μ-chloro-bis(1,4,7-trithiacyclononane)dinickel(II) tetrafluoroborate acetonitrile solvate

Acta Crystallographica Section C

1,992

48

10

1844

1846

10.1107/S0108270192002439

0.71073

Mo

null

has coordinates

Blake, A. J.; Halcrow, M. A.; Schröder, M. Tri-μ-chloro-bis(1,4,7-trithiacyclononane)dinickel(II) tetrafluoroborate acetonitrile solvate Acta Crystallographica Section C 48(10) (1992) 1844-1846

176,435

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/05/2000544.cif $ #-------------------------------------------------------------------...

2,000,545

23.867

0.002

9.492

0.001

11.615

0.0006

90

null

90

null

90

null

2,631.3

0.4

null

4

P n a 21

null

- C29 H31 N3 O5 -

- C116 H124 N12 O20 -

4

1

PA0267

Theobald, F.; Rodier, N.; Moustaid, K.; Laude, B.

Structure of ethyl 8,9-dimethoxy-3-(4-methoxyphenyl)-10b-methyl-1-phenyl-4,5,6,10b-tetrahydro-1,2,4-triazolo[3,4-a]isoquinoline-5-carboxylate

Acta Crystallographica Section C

1,992

48

10

1846

1848

10.1107/S0108270192001161

1.5418

Cu

null

has coordinates

Theobald, F.; Rodier, N.; Moustaid, K.; Laude, B. Structure of ethyl 8,9-dimethoxy-3-(4-methoxyphenyl)-10b-methyl-1-phenyl-4,5,6,10b-tetrahydro-1,2,4-triazolo[3,4-a]isoquinoline-5-carboxylate Acta Crystallographica Section C 48(10) (1992) 1846-1848

301,791

2025-08-18

23:14:59

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/05/2000545.cif $ #-------------------------------------------------------------------...

2,000,546

12.384

0.001

17.786

0.001

21.903

0.002

97.68

0.01

96.96

0.01

105.73

0.01

4,539

0.7

null

3

P -1

-P 1

2

- C50 H70 O5 -

- C51.5 O5.5 -

- C206 O22 -

4

2

AB0181

Bugge, K.-E.; Verboom, W.; Reinhoudt, D. N.; Harkema, S.

Ethanol complex of 1,3-diethoxy-p-tert-butylcalix[4]arene

Acta Crystallographica Section C

1,992

48

10

1848

1851

10.1107/S0108270192001239

1.5418

Cu

null

has coordinates

Bugge, K.-E.; Verboom, W.; Reinhoudt, D. N.; Harkema, S. Ethanol complex of 1,3-diethoxy-p-tert-butylcalix[4]arene Acta Crystallographica Section C 48(10) (1992) 1848-1851

278,247

2022-09-28

15:09:31

#------------------------------------------------------------------------------ #$Date: 2022-09-28 18:08:17 +0300 (Wed, 28 Sep 2022) $ #$Revision: 278247 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/05/2000546.cif $ #-------------------------------------------------------------------...

7,205,832

12.608

0.0007

9.7404

0.0005

25.4217

0.0014

90

null

96.403

0.001

90

null

3,102.5

0.3

100

2

100

2

null

5

C 1 2/c 1

-C 2yc

15

- C24 H26 Cu4 N8 S6 -

- C96 H104 Cu16 N32 S24 -

4

0.5

Yue, Jun-Ming; Niu, Yun-Yin; Zhang, Bing; Ng, Seik-Weng; Hou, Hong-Wei

Four novel metal coordination polymers directed by 1,1′-dibutyl-4,4′-bipyridinium dibromide (BBP) and their framework dependent luminescent properties

CrystEngComm

2,011

13

7

2571

10.1039/c0ce00854k

0.71073

MoKα

0.0249

0.0223

null

0.0563

0.0574

null

1.051

null

has coordinates

Yue, Jun-Ming; Niu, Yun-Yin; Zhang, Bing; Ng, Seik-Weng; Hou, Hong-Wei Four novel metal coordination polymers directed by 1,1′-dibutyl-4,4′-bipyridinium dibromide (BBP) and their framework dependent luminescent properties CrystEngComm 13(7) (2011) 2571

180,389

2020-10-21

18:00:00

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2,000,547

9.521

0.003

13.007

0.004

14.116

0.006

90

null

100.77

0.01

90

null

1,717.3

1.1

null

5

P 1 21/n 1

-P 2yn

14

- C18 H18 Cl N3 S -

- C72 H72 Cl4 N12 S4 -

4

1

PA0271

Dupont, L.; Dideberg, O.; Liégeois, J. F.; Delarge, J.

Structure du 8-chloro-11-(4-méthylpipérazin-1-yl)dibenzo[b,f]-1,4-thiazépine

Acta Crystallographica Section C

1,992

48

10

1851

1853

10.1107/S0108270192001021

1.5418

Cu

null

has coordinates

Dupont, L.; Dideberg, O.; Liégeois, J. F.; Delarge, J. Structure du 8-chloro-11-(4-méthylpipérazin-1-yl)dibenzo[b,f]-1,4-thiazépine Acta Crystallographica Section C 48(10) (1992) 1851-1853

301,791

2025-08-18

23:14:59

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2,000,548

6.739

0.005

16.963

0.006

17.094

0.006

90

null

90

null

90

null

1,954.1

1.7

null

3

P 21 21 21

P 2ac 2ab

null

- C22 H32 O6 -

- C88 H128 O24 -

4

1

AB0231

Wang, J.-L.; Zhang, L.-J.; Miao, F.-M.; Sun, H.-D.; Gong, Y.-H.

Structure of xindongnin B

Acta Crystallographica Section C

1,992

48

10

1853

1855

10.1107/S0108270191013410

1.541

Cu

null

has coordinates

Wang, J.-L.; Zhang, L.-J.; Miao, F.-M.; Sun, H.-D.; Gong, Y.-H. Structure of xindongnin B Acta Crystallographica Section C 48(10) (1992) 1853-1855

301,791

2025-08-18

23:14:59

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2,000,549

15.608

0.004

8.637

0.002

17.273

0.005

90

null

97.71

0.02

90

null

2,307.5

1

null

5

P 1 21 1

null

- C23 H34 Cl N O3 -

- C92 H136 Cl4 N4 O12 -

4

2

HH0604

Flippen-Anderson, J. L.; George, C. F.

Absolute configuration of ({-})-α-acetylmethadol hydrochloride

Acta Crystallographica Section C

1,992

48

10

1855

1857

10.1107/S0108270192001409

1.54184

Cu

null

has coordinates

Flippen-Anderson, J. L.; George, C. F. Absolute configuration of ({-})-α-acetylmethadol hydrochloride Acta Crystallographica Section C 48(10) (1992) 1855-1857

301,791

2025-08-18

23:14:59

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2,000,550

7.766

0.006

11.809

0.004

27.219

0.011

90

null

90

null

90

null

2,496

2

null

3

P 21 21 21

P 2ac 2ab

19

- C26 H34 O6 -

- C104 H136 O24 -

4

1

ST0563

Baures, P. W.; Miski, M.; Eggleston, D. S.

Structure of 3,6-diacetyl-8-benzoylantakyatriol

Acta Crystallographica Section C

1,992

48

10

1857

1859

10.1107/S0108270192001598

0.71073

Mo

null

has coordinates

Baures, P. W.; Miski, M.; Eggleston, D. S. Structure of 3,6-diacetyl-8-benzoylantakyatriol Acta Crystallographica Section C 48(10) (1992) 1857-1859

301,791

2025-08-18

23:14:59

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2,000,551

14.392

0.002

18.837

0.003

10.191

0.002

90.15

0.02

98.72

0.02

85.49

0.02

2,722.3

0.8

null

5

P -1

-P 1

2

- C14 H14 F3 N O2 -

- C112 H112 F24 N8 O16 -

8

4

MU0286

Chinnakali, K.; Sivakumar, K.; Natarajan, S.

Structure of 7-diethylamino-4-trifluoromethylcoumarin

Acta Crystallographica Section C

1,992

48

10

1859

1862

10.1107/S0108270192000623

0.71069

Mo

null

has coordinates

Chinnakali, K.; Sivakumar, K.; Natarajan, S. Structure of 7-diethylamino-4-trifluoromethylcoumarin Acta Crystallographica Section C 48(10) (1992) 1859-1862

301,791

2025-08-18

23:14:59

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2,000,552

13.075

0.002

13.284

0.003

9.924

0.002

103.68

0.03

95.28

0.03

66.34

0.04

1,534

0.7

null

6

P -1

-P 1

2

- C12 H17 Cl N2 O3 S -

- C48 H68 Cl4 N8 O12 S4 -

4

2

AS0517

Ghosh, M.; Das, A. K.; Mazumdar, S. K.; Bocelli, G.

Structure of 3-tert-butyl-1-[(4-chlorophenyl)sulfonyl]-1-methylurea

Acta Crystallographica Section C

1,992

48

10

1862

1864

10.1107/S0108270191014658

1.54178

Cu

null

has coordinates

Ghosh, M.; Das, A. K.; Mazumdar, S. K.; Bocelli, G. Structure of 3-tert-butyl-1-[(4-chlorophenyl)sulfonyl]-1-methylurea Acta Crystallographica Section C 48(10) (1992) 1862-1864

301,791

2025-08-18

23:14:59

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7,205,831

26.592

0.0013

11.1777

0.0005

16.1137

0.0008

90

null

110.993

0.001

90

null

4,471.7

0.4

100

2

100

2

null

5

C 1 2/c 1

-C 2yc

15

- C18 H26 Ag I3 N2 -

- C144 H208 Ag8 I24 N16 -

8

1

Yue, Jun-Ming; Niu, Yun-Yin; Zhang, Bing; Ng, Seik-Weng; Hou, Hong-Wei

Four novel metal coordination polymers directed by 1,1′-dibutyl-4,4′-bipyridinium dibromide (BBP) and their framework dependent luminescent properties

CrystEngComm

2,011

13

7

2571

10.1039/c0ce00854k

0.71073

MoKα

0.0325

0.0257

null

0.0622

0.0651

null

1.044

null

has coordinates,has disorder

Yue, Jun-Ming; Niu, Yun-Yin; Zhang, Bing; Ng, Seik-Weng; Hou, Hong-Wei Four novel metal coordination polymers directed by 1,1′-dibutyl-4,4′-bipyridinium dibromide (BBP) and their framework dependent luminescent properties CrystEngComm 13(7) (2011) 2571

180,389

2020-10-21

18:00:00

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2,000,553

8.732

0.006

7.639

0.005

14.966

0.01

90

null

95.85

0.02

90

null

993.1

1.2

null

4

P 1 21 1

null

- C22 H27 N O4 -

- C44 H54 N2 O8 -

2

1

KA0018

Ribár, B.; Lazar, D.; Radivojević, P.; Engel, P.; Gašić, O.; Kanyó, I.

Structure of corydaline

Acta Crystallographica Section C

1,992

48

10

1864

1866

10.1107/S0108270192001951

0.7107

Mo

null

has coordinates

Ribár, B.; Lazar, D.; Radivojević, P.; Engel, P.; Gašić, O.; Kanyó, I. Structure of corydaline Acta Crystallographica Section C 48(10) (1992) 1864-1866

301,791

2025-08-18

23:14:59

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2,000,554

5.726

0.006

14.234

0.007

20.08

0.01

90

null

92.54

0.07

90

null

1,635

2

null

4

P 1 21/n 1

-P 2yn

14

- C18 H19 O3 P -

- C72 H76 O12 P4 -

4

1

CR0403

Hua, D. H.; Roche, D.; Bharathi, S. N.; Wu, X.; Robinson, P. D.

Structure of cis,cis-4,6-diphenyl-2-(2-propenyl)-1,3-dioxa-2-phosphorinane 2-oxide

Acta Crystallographica Section C

1,992

48

10

1866

1868

10.1107/S0108270192002051

0.71069

Mo

null

has coordinates

Hua, D. H.; Roche, D.; Bharathi, S. N.; Wu, X.; Robinson, P. D. Structure of cis,cis-4,6-diphenyl-2-(2-propenyl)-1,3-dioxa-2-phosphorinane 2-oxide Acta Crystallographica Section C 48(10) (1992) 1866-1868

301,791

2025-08-18

23:14:59

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2,000,555

22.704

0.005

10.33

0.002

14.808

0.003

90

null

105.79

0.03

90

null

3,341.9

1.3

null

4

C 1 2/c 1

-C 2yc

null

- C19 H17 N3 O4 -

- C152 H136 N24 O32 -

8

1

HH0582

Toscano, R. A.; Rubio, M.; Cetina, R.; Pérez-Ibarra, B. M.

Structure of a p-nitrobenzoyl praziquantel analogue

Acta Crystallographica Section C

1,992

48

10

1868

1870

10.1107/S0108270192001902

1.54178

Cu

null

has coordinates

Toscano, R. A.; Rubio, M.; Cetina, R.; Pérez-Ibarra, B. M. Structure of a p-nitrobenzoyl praziquantel analogue Acta Crystallographica Section C 48(10) (1992) 1868-1870

301,791

2025-08-18

23:14:59

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2,000,556

7.9122

0.0013

27.749

0.008

13.402

0.003

90

null

107.094

0.016

90

null

2,812.5

1.2

null

3

P 1 21/c 1

-P 2ybc

14

- C17 H14 O3 -

- C136 H112 O24 -

8

2

CR0385

Lin, T.-Y.; Mao, Y.-L.; Chuo, C.-M.

Structure of 10-acetyloxy-10-methyl-9(10H)-anthracenone

Acta Crystallographica Section C

1,992

48

10

1870

1872

10.1107/S010827019200204X

0.7093

Mo

null

has coordinates

Lin, T.-Y.; Mao, Y.-L.; Chuo, C.-M. Structure of 10-acetyloxy-10-methyl-9(10H)-anthracenone Acta Crystallographica Section C 48(10) (1992) 1870-1872

301,791

2025-08-18

23:14:59

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2,000,557

8.1446

0.0011

12.238

0.002

14.186

0.003

90

null

90

null

90

null

1,414

0.4

null

4

P 21 21 21

P 2ac 2ab

19

- C9 H14 N8 O8 -

- C36 H56 N32 O32 -

4

1

HH0608

Gilardi, R.; Flippen-Anderson, J. L.; George, C. F.

Structure of 8,10-diacetyl-2,4,6-trinitro-2,4,6,8,10-pentaazabicyclo[5.3.0]decane

Acta Crystallographica Section C

1,992

48

10

1872

1873

10.1107/S0108270192001707

1.54184

Cu

null

has coordinates

Gilardi, R.; Flippen-Anderson, J. L.; George, C. F. Structure of 8,10-diacetyl-2,4,6-trinitro-2,4,6,8,10-pentaazabicyclo[5.3.0]decane Acta Crystallographica Section C 48(10) (1992) 1872-1873

301,791

2025-08-18

23:14:59

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7,205,830

15.7586

0.001

13.6737

0.0009

33.957

0.002

90

null

100.383

0.001

90

null

7,197.2

0.8

298

2

298

2

null

6

P 1 21/c 1

-P 2ybc

14

- C96 H144 I22 N12 O2 Pb6 -

- C192 H288 I44 N24 O4 Pb12 -

2

0.5

Yue, Jun-Ming; Niu, Yun-Yin; Zhang, Bing; Ng, Seik-Weng; Hou, Hong-Wei

Four novel metal coordination polymers directed by 1,1′-dibutyl-4,4′-bipyridinium dibromide (BBP) and their framework dependent luminescent properties

CrystEngComm

2,011

13

7

2571

10.1039/c0ce00854k

0.71073

MoKα

0.131

0.0596

null

0.1359

0.1585

null

0.927

null

has coordinates

Yue, Jun-Ming; Niu, Yun-Yin; Zhang, Bing; Ng, Seik-Weng; Hou, Hong-Wei Four novel metal coordination polymers directed by 1,1′-dibutyl-4,4′-bipyridinium dibromide (BBP) and their framework dependent luminescent properties CrystEngComm 13(7) (2011) 2571

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/7/20/58/7205830.cif $ #-------------------------------------------------------------------...

2,000,558

6.657

0.001

8.742

0.001

15.894

0.001

90

null

101.23

0.01

90

null

907.25

0.18

130

null

130

null

4

P 1 21/c 1

-P 2ybc

14

- C7 H14 N4 O2 -

- C28 H56 N16 O8 -

4

1

NA0014

Meetsma, A.; van Aken, E.; Wynberg, H.

Structure of a bicyclic guanidinium nitrite salt

Acta Crystallographica Section C

1,992

48

10

1874

1876

10.1107/S0108270192002282

0.71073

X-rayMoKalphamean

null

0.043

null

0.035

null

1.816

null

has coordinates

Meetsma, A.; van Aken, E.; Wynberg, H. Structure of a bicyclic guanidinium nitrite salt Acta Crystallographica Section C 48(10) (1992) 1874-1876

301,791

2025-08-18

23:14:59

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2,000,559

12.755

0.001

11.221

0.002

21.77

0.002

90

null

94.16

0.02

90

null

3,107.6

0.7

null

4

P 1 21/n 1

-P 2yn

14

- C16 H14 Br2 Se -

- C128 H112 Br16 Se8 -

8

2

LI0102

Zukerman-Schpector, J.; Castellano, E. E.; Comasseto, J. V.; Stefani, H. A.

Structure of 1,1-dibromo-2-phenylseleno-3-p-tolylcyclopropane

Acta Crystallographica Section C

1,992

48

10

1876

1878

10.1107/S0108270192002427

0.71073

Mo

null

has coordinates

Zukerman-Schpector, J.; Castellano, E. E.; Comasseto, J. V.; Stefani, H. A. Structure of 1,1-dibromo-2-phenylseleno-3-p-tolylcyclopropane Acta Crystallographica Section C 48(10) (1992) 1876-1878

301,791

2025-08-18

23:14:59

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2,000,560

9.463

0.002

11.251

0.003

18.871

0.006

90

null

90

null

90

null

2,009.2

0.9

null

4

P 21 21 21

P 2ac 2ab

19

- C22 H26 N2 O5 -

- C88 H104 N8 O20 -

4

1

ST0565

Lynch, V. M.; Corbett, J. W.; Martin, S. F.; Davis, B. E.

Structure of a chiral intermediate in the synthesis of (+)-19-epiajmalicine

Acta Crystallographica Section C

1,992

48

10

1878

1880

10.1107/S0108270192002336

0.7107

Mo

null

has coordinates

Lynch, V. M.; Corbett, J. W.; Martin, S. F.; Davis, B. E. Structure of a chiral intermediate in the synthesis of (+)-19-epiajmalicine Acta Crystallographica Section C 48(10) (1992) 1878-1880

301,791

2025-08-18

23:14:59

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/05/2000560.cif $ #-------------------------------------------------------------------...

2,000,561

13.686

0.002

5.874

0.002

11.03

0.003

90

null

96.62

0.03

90

null

880.8

0.4

null

3

P 1 21 1

P 2yb

4

- C18 H26 O4 -

- C36 H52 O8 -

2

1

PA0237

Bocelli, G.; Cantoni, A.

2-Menthyl (2-hydroxyphenyl)glycolate

Acta Crystallographica Section C

1,992

48

10

1880

1881

10.1107/S0108270192002324

1.5418

Cu

null

has coordinates

Bocelli, G.; Cantoni, A. 2-Menthyl (2-hydroxyphenyl)glycolate Acta Crystallographica Section C 48(10) (1992) 1880-1881

301,791

2025-08-18

23:14:59

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2,000,562

20.604

0.005

12.694

0.005

12.647

0.005

93.64

0.05

105.69

0.05

85.89

0.05

3,173

2

null

4

P -1

-P 1

2

- C63 H62 O9 S9 -

- C126 H124 O18 S18 -

2

1

AL0531

Roos, H. M.; Dillen, J. L. M.

Structure of tris(5-acetyl-3-thienyl)methane-n-hexane (3/1) inclusion compound

Acta Crystallographica Section C

1,992

48

10

1882

1884

10.1107/S0108270192002312

0.7107

Mo

null

has coordinates

Roos, H. M.; Dillen, J. L. M. Structure of tris(5-acetyl-3-thienyl)methane-n-hexane (3/1) inclusion compound Acta Crystallographica Section C 48(10) (1992) 1882-1884

301,791

2025-08-18

23:14:59

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2,000,563

6.228

0.003

20.315

0.008

11.104

0.006

90

null

103.87

0.05

90

null

1,363.9

1.2

null

4

P 1 21/c 1

null

- C13 H22 N2 O2 -

- C16 H33 N2 O2 -

- C64 H132 N8 O8 -

4

1

HU0411

van Eijk, P. J. S. S.; Verboom, W.; Reinhoudt, D. N.; Harkema, S.

N,N-Diethyl-6-(hydroxyimino)-α-methyl-1-cyclohexene-1-acetamide

Acta Crystallographica Section C

1,992

48

10

1884

1886

10.1107/S0108270192001756

0.7107

Mo

null

has coordinates

van Eijk, P. J. S. S.; Verboom, W.; Reinhoudt, D. N.; Harkema, S. N,N-Diethyl-6-(hydroxyimino)-α-methyl-1-cyclohexene-1-acetamide Acta Crystallographica Section C 48(10) (1992) 1884-1886

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/05/2000563.cif $ #-------------------------------------------------------------------...

7,205,829

8.5848

0.0014

15.017

0.002

10.518

0.0016

90

null

101.338

0.003

90

null

1,329.5

0.3

298

2

298

2

null

5

P 1 21/c 1

-P 2ybc

14

- C22 H26 Cu2 N6 S4 -

- C44 H52 Cu4 N12 S8 -

2

0.5

Yue, Jun-Ming; Niu, Yun-Yin; Zhang, Bing; Ng, Seik-Weng; Hou, Hong-Wei

Four novel metal coordination polymers directed by 1,1′-dibutyl-4,4′-bipyridinium dibromide (BBP) and their framework dependent luminescent properties

CrystEngComm

2,011

13

7

2571

10.1039/c0ce00854k

0.71073

MoKα

0.0627

0.042

null

0.0941

0.1032

null

0.975

null

has coordinates,has disorder

Yue, Jun-Ming; Niu, Yun-Yin; Zhang, Bing; Ng, Seik-Weng; Hou, Hong-Wei Four novel metal coordination polymers directed by 1,1′-dibutyl-4,4′-bipyridinium dibromide (BBP) and their framework dependent luminescent properties CrystEngComm 13(7) (2011) 2571

180,389

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-26 17:21:16 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180389 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/58/7205829.cif $ #-------------------------------------------------------------------...

2,000,564

13.123

0.007

11.24

0.008

9.666

0.006

90

null

99.22

0.05

90

null

1,407.3

1.5

null

4

P 1 21/c 1

-P 2ybc

14

- C13 H22 N2 O2 -

- C52 H88 N8 O8 -

4

1

HU0413

van Eijk, P. J. S. S.; Verboom, W.; Reinhoudt, D. N.; Harkema, S.

N,N-Diethyl-2-[2-(hydroxyimino)cyclohexylidine]propanamide

Acta Crystallographica Section C

1,992

48

10

1886

1887

10.1107/S0108270192001768

0.7107

Mo

null

has coordinates

van Eijk, P. J. S. S.; Verboom, W.; Reinhoudt, D. N.; Harkema, S. N,N-Diethyl-2-[2-(hydroxyimino)cyclohexylidine]propanamide Acta Crystallographica Section C 48(10) (1992) 1886-1887

208,377

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2018-06-14 15:53:24 +0300 (Thu, 14 Jun 2018) $ #$Revision: 208377 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/05/2000564.cif $ #-------------------------------------------------------------------...

2,000,565

20.52

0.002

10.647

0.001

18.26

0.002

90

null

91.015

0.008

90

null

3,988.8

0.7

299

null

299

1

null

5

C 1 2/c 1

-C 2yc

15

tetrakis(μ-2,2-dimethylpropanoate-O,O')di(2,5-lutidine)dinickel

- C34 H54 N2 Ni2 O8 -

- C136 H216 N8 Ni8 O32 -

4

0.5

AS1007

Morooka, M.; Ohba, S.; Nakashima, M.; Tokii, T.; Muto, Y.; Kato, M.; Steward, O. W.

Dimeric nickel(II) carboxylates and a silanecarboxylate: [Ni(Me~3~CCOO)~2~(2,5-lutidine)]~2~, [Ni(MePh~2~CCOO)~2~(quinoline)]~2~.2CHCl~3~, [Ni(Me~2~PhCCOO)~2~(quinoline)]~2~, [Ni(Me~3~CCOO)~2~(2-ethylpyridine)]~2~, [Ni(Me~3~CCOO)~2~(2-picoline)]~2~ and [Ni(MePh~2~SiCOO)~2~(Ph~3~P)]~2~

Acta Crystallographica Section C

1,992

48

10

1888

1894

10.1107/S0108270192005808

0.71073

MoKα

null

0.043

null

0.031

null

2.29

null

has coordinates

Morooka, M.; Ohba, S.; Nakashima, M.; Tokii, T.; Muto, Y.; Kato, M.; Steward, O. W. Dimeric nickel(II) carboxylates and a silanecarboxylate: [Ni(Me~3~CCOO)~2~(2,5-lutidine)]~2~, [Ni(MePh~2~CCOO)~2~(quinoline)]~2~.2CHCl~3~, [Ni(Me~2~PhCCOO)~2~(quinoline)]~2~, [Ni(Me~3~CCOO)~2~(2-ethylpyridine)]~2~, [Ni(Me~3~CCOO)~2~(2-p...

301,791

2025-08-18

23:14:59

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/05/2000565.cif $ #-------------------------------------------------------------------...

2,000,566

13.231

0.001

13.857

0.001

11.425

0.001

99.48

0.01

104.63

0.01

109.68

0.01

1,835.3

0.3

297

null

297

1

null

6

P -1

-P 1

2

tetrakis(μ-2,2-diphenylpropanoate-O,O')di(quinoline)dinickel bis(trichloromethane)

- C80 H68 Cl6 N2 Ni2 O8 -

- C80 H66 Cl6 N2 Ni2 O8 -

1

0.5

AS1007

Morooka, M.; Ohba, S.; Nakashima, M.; Tokii, T.; Muto, Y.; Kato, M.; Steward, O. W.

Dimeric nickel(II) carboxylates and a silanecarboxylate: [Ni(Me~3~CCOO)~2~(2,5-lutidine)]~2~, [Ni(MePh~2~CCOO)~2~(quinoline)]~2~.2CHCl~3~, [Ni(Me~2~PhCCOO)~2~(quinoline)]~2~, [Ni(Me~3~CCOO)~2~(2-ethylpyridine)]~2~, [Ni(Me~3~CCOO)~2~(2-picoline)]~2~ and [Ni(MePh~2~SiCOO)~2~(Ph~3~P)]~2~

Acta Crystallographica Section C

1,992

48

10

1888

1894

10.1107/S0108270192005808

0.71073

MoKα

null

0.081

null

0.087

null

6.176

null

has coordinates

Morooka, M.; Ohba, S.; Nakashima, M.; Tokii, T.; Muto, Y.; Kato, M.; Steward, O. W. Dimeric nickel(II) carboxylates and a silanecarboxylate: [Ni(Me~3~CCOO)~2~(2,5-lutidine)]~2~, [Ni(MePh~2~CCOO)~2~(quinoline)]~2~.2CHCl~3~, [Ni(Me~2~PhCCOO)~2~(quinoline)]~2~, [Ni(Me~3~CCOO)~2~(2-ethylpyridine)]~2~, [Ni(Me~3~CCOO)~2~(2-p...

176,432

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176432 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/05/2000566.cif $ #-------------------------------------------------------------------...

7,205,828

17.0615

0.0004

17.0615

0.0004

56.505

0.003

90

null

90

null

120

null

14,244.7

0.9

293

2

293

2

null

5

R -3 c :H

-R 3 2"c

167

- C72 H49 Eu9 N12 O44 -

- C72 H37 Eu9 N12 O44 -

- C432 H222 Eu54 N72 O264 -

6

0.166667

Yuan, Ning; Sheng, Tianlu; Tian, Chongbin; Hu, Shengmin; Fu, Ruibiao; Zhu, Qilong; Tan, Chunhong; Wu, Xintao

Syntheses, structures and properties of three-dimensional lanthanide frameworks constructed with a trigonal anti-prismatic lanthanide cluster

CrystEngComm

2,011

13

12

4244

10.1039/c0ce00848f

0.71073

MoKα

0.0446

0.0432

null

0.1224

0.1237

null

1.004

null

has coordinates

Yuan, Ning; Sheng, Tianlu; Tian, Chongbin; Hu, Shengmin; Fu, Ruibiao; Zhu, Qilong; Tan, Chunhong; Wu, Xintao Syntheses, structures and properties of three-dimensional lanthanide frameworks constructed with a trigonal anti-prismatic lanthanide cluster CrystEngComm 13(12) (2011) 4244

180,389

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-26 17:21:16 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180389 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/58/7205828.cif $ #-------------------------------------------------------------------...

2,000,567

10.992

0.001

20.932

0.001

10.964

0.001

90

null

90.587

0.005

90

null

2,522.5

0.3

300

null

300

1

null

5

P 1 21/n 1

-P 2yn

14

tetrakis(μ-2-methyl-2-phenylpropanoato-O,O')di(quinoline)dinickel

- C58 H58 N2 Ni2 O8 -

- C116 H116 N4 Ni4 O16 -

2

0.5

AS1007

Morooka, M.; Ohba, S.; Nakashima, M.; Tokii, T.; Muto, Y.; Kato, M.; Steward, O. W.

Dimeric nickel(II) carboxylates and a silanecarboxylate: [Ni(Me~3~CCOO)~2~(2,5-lutidine)]~2~, [Ni(MePh~2~CCOO)~2~(quinoline)]~2~.2CHCl~3~, [Ni(Me~2~PhCCOO)~2~(quinoline)]~2~, [Ni(Me~3~CCOO)~2~(2-ethylpyridine)]~2~, [Ni(Me~3~CCOO)~2~(2-picoline)]~2~ and [Ni(MePh~2~SiCOO)~2~(Ph~3~P)]~2~

Acta Crystallographica Section C

1,992

48

10

1888

1894

10.1107/S0108270192005808

0.71073

MoKα

null

0.041

null

0.026

null

1.726

null

has coordinates

Morooka, M.; Ohba, S.; Nakashima, M.; Tokii, T.; Muto, Y.; Kato, M.; Steward, O. W. Dimeric nickel(II) carboxylates and a silanecarboxylate: [Ni(Me~3~CCOO)~2~(2,5-lutidine)]~2~, [Ni(MePh~2~CCOO)~2~(quinoline)]~2~.2CHCl~3~, [Ni(Me~2~PhCCOO)~2~(quinoline)]~2~, [Ni(Me~3~CCOO)~2~(2-ethylpyridine)]~2~, [Ni(Me~3~CCOO)~2~(2-p...

301,791

2025-08-18

23:14:59

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/05/2000567.cif $ #-------------------------------------------------------------------...

2,000,568

10.616

0.001

11.059

0.001

9.826

0.001

98.22

0.01

109.03

0.01

62.52

0.01

967.47

0.19

299

null

299

1

null

5

P -1

-P 1

2

tetrakis(μ-2,2-dimethylpropanoato-O,O')di(2-ethylpyridine)dinickel

- C34 H54 N2 Ni2 O8 -

1

0.5

AS1007

Morooka, M.; Ohba, S.; Nakashima, M.; Tokii, T.; Muto, Y.; Kato, M.; Steward, O. W.

Dimeric nickel(II) carboxylates and a silanecarboxylate: [Ni(Me~3~CCOO)~2~(2,5-lutidine)]~2~, [Ni(MePh~2~CCOO)~2~(quinoline)]~2~.2CHCl~3~, [Ni(Me~2~PhCCOO)~2~(quinoline)]~2~, [Ni(Me~3~CCOO)~2~(2-ethylpyridine)]~2~, [Ni(Me~3~CCOO)~2~(2-picoline)]~2~ and [Ni(MePh~2~SiCOO)~2~(Ph~3~P)]~2~

Acta Crystallographica Section C

1,992

48

10

1888

1894

10.1107/S0108270192005808

0.71073

MoKα

null

0.042

null

0.037

null

3.624

null

has coordinates

Morooka, M.; Ohba, S.; Nakashima, M.; Tokii, T.; Muto, Y.; Kato, M.; Steward, O. W. Dimeric nickel(II) carboxylates and a silanecarboxylate: [Ni(Me~3~CCOO)~2~(2,5-lutidine)]~2~, [Ni(MePh~2~CCOO)~2~(quinoline)]~2~.2CHCl~3~, [Ni(Me~2~PhCCOO)~2~(quinoline)]~2~, [Ni(Me~3~CCOO)~2~(2-ethylpyridine)]~2~, [Ni(Me~3~CCOO)~2~(2-p...

301,791

2025-08-18

23:14:59

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/05/2000568.cif $ #-------------------------------------------------------------------...

7,205,827

17.0151

0.0003

17.0151

0.0003

56.2326

0.0017

90

null

90

null

120

null

14,099

0.6

293

2

293

2

null

5

R -3 c :H

-R 3 2"c

167

- C72 H49 Gd9 N12 O44 -

- C72 H37 Gd9 N12 O44 -

- C432 H222 Gd54 N72 O264 -

6

0.166667

Yuan, Ning; Sheng, Tianlu; Tian, Chongbin; Hu, Shengmin; Fu, Ruibiao; Zhu, Qilong; Tan, Chunhong; Wu, Xintao

Syntheses, structures and properties of three-dimensional lanthanide frameworks constructed with a trigonal anti-prismatic lanthanide cluster

CrystEngComm

2,011

13

12

4244

10.1039/c0ce00848f

0.71073

MoKα

0.033

0.0325

null

0.0934

0.0938

null

1.004

null

has coordinates

Yuan, Ning; Sheng, Tianlu; Tian, Chongbin; Hu, Shengmin; Fu, Ruibiao; Zhu, Qilong; Tan, Chunhong; Wu, Xintao Syntheses, structures and properties of three-dimensional lanthanide frameworks constructed with a trigonal anti-prismatic lanthanide cluster CrystEngComm 13(12) (2011) 4244

180,389

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-26 17:21:16 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180389 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/58/7205827.cif $ #-------------------------------------------------------------------...

2,000,569

10.541

0.001

10.724

0.001

9.68

0.001

97.2

0.01

108.48

0.01

63.31

0.01

927.05

0.19

299

null

299

1

null

5

P -1

-P 1

2

tetrakis(μ-2,2-dimethylpropanoato-O,O')di(2-picoline)dinickel

- C32 H50 N2 Ni2 O8 -

1

0.5

AS1007

Morooka, M.; Ohba, S.; Nakashima, M.; Tokii, T.; Muto, Y.; Kato, M.; Steward, O. W.

Dimeric nickel(II) carboxylates and a silanecarboxylate: [Ni(Me~3~CCOO)~2~(2,5-lutidine)]~2~, [Ni(MePh~2~CCOO)~2~(quinoline)]~2~.2CHCl~3~, [Ni(Me~2~PhCCOO)~2~(quinoline)]~2~, [Ni(Me~3~CCOO)~2~(2-ethylpyridine)]~2~, [Ni(Me~3~CCOO)~2~(2-picoline)]~2~ and [Ni(MePh~2~SiCOO)~2~(Ph~3~P)]~2~

Acta Crystallographica Section C

1,992

48

10

1888

1894

10.1107/S0108270192005808

0.71073

MoKα

null

0.039

null

0.035

null

3.36

null

has coordinates

Morooka, M.; Ohba, S.; Nakashima, M.; Tokii, T.; Muto, Y.; Kato, M.; Steward, O. W. Dimeric nickel(II) carboxylates and a silanecarboxylate: [Ni(Me~3~CCOO)~2~(2,5-lutidine)]~2~, [Ni(MePh~2~CCOO)~2~(quinoline)]~2~.2CHCl~3~, [Ni(Me~2~PhCCOO)~2~(quinoline)]~2~, [Ni(Me~3~CCOO)~2~(2-ethylpyridine)]~2~, [Ni(Me~3~CCOO)~2~(2-p...

301,791

2025-08-18

23:14:59

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/05/2000569.cif $ #-------------------------------------------------------------------...

2,000,570

14.461

0.001

23.432

0.001

13.542

0.001

90

null

112.921

0.004

90

null

4,226.4

0.5

299

null

299

1

null

6

P 1 21/n 1

-P 2yn

14

tetrakis(μ-methyldiphenylsilanecarboxylato-O,O')bis(triphenylphosphine) dinickel

- C92 H82 Ni2 O8 P2 Si4 -

- C184 H164 Ni4 O16 P4 Si8 -

2

0.5

AS1007

Morooka, M.; Ohba, S.; Nakashima, M.; Tokii, T.; Muto, Y.; Kato, M.; Steward, O. W.

Dimeric nickel(II) carboxylates and a silanecarboxylate: [Ni(Me~3~CCOO)~2~(2,5-lutidine)]~2~, [Ni(MePh~2~CCOO)~2~(quinoline)]~2~.2CHCl~3~, [Ni(Me~2~PhCCOO)~2~(quinoline)]~2~, [Ni(Me~3~CCOO)~2~(2-ethylpyridine)]~2~, [Ni(Me~3~CCOO)~2~(2-picoline)]~2~ and [Ni(MePh~2~SiCOO)~2~(Ph~3~P)]~2~

Acta Crystallographica Section C

1,992

48

10

1888

1894

10.1107/S0108270192005808

0.71073

MoKα

null

0.044

null

0.035

null

2.666

null

has coordinates

Morooka, M.; Ohba, S.; Nakashima, M.; Tokii, T.; Muto, Y.; Kato, M.; Steward, O. W. Dimeric nickel(II) carboxylates and a silanecarboxylate: [Ni(Me~3~CCOO)~2~(2,5-lutidine)]~2~, [Ni(MePh~2~CCOO)~2~(quinoline)]~2~.2CHCl~3~, [Ni(Me~2~PhCCOO)~2~(quinoline)]~2~, [Ni(Me~3~CCOO)~2~(2-ethylpyridine)]~2~, [Ni(Me~3~CCOO)~2~(2-p...

301,791

2025-08-18

23:14:59

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/05/2000570.cif $ #-------------------------------------------------------------------...

7,205,826

35.704

0.006

33.36

0.005

8.2196

0.0013

90

null

90

null

90

null

9,790

3

294

2

294

2

null

6

P b c a

-P 2ac 2ab

61

- C42 H54 Cl4 Cu2 N14 O6 -

- C336 H432 Cl32 Cu16 N112 O48 -

8

1

Tang, Xiao-Liang; Dou, Wei; Zhou, Ji-an; Zhang, Guo-Lin; Liu, Wei-Sheng; Yang, Li-Zi; Shao, Yong-Liang

Metallomacrocycle or coordination polymer: Spacer-directed self-assembly of transition-metal complexes based on flexible bis(benzotriazole) ligands

CrystEngComm

2,011

13

8

2890

10.1039/c0ce00847h

0.71073

MoKα

0.1938

0.0916

null

0.1546

0.19

null

1.012

null

has coordinates,has disorder

Tang, Xiao-Liang; Dou, Wei; Zhou, Ji-an; Zhang, Guo-Lin; Liu, Wei-Sheng; Yang, Li-Zi; Shao, Yong-Liang Metallomacrocycle or coordination polymer: Spacer-directed self-assembly of transition-metal complexes based on flexible bis(benzotriazole) ligands CrystEngComm 13(8) (2011) 2890

180,389

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-26 17:21:16 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180389 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/58/7205826.cif $ #-------------------------------------------------------------------...

2,000,571

7.768

0.002

13.524

0.004

16.066

0.004

90

null

91.91

0.02

90

null

1,686.9

0.8

293

1

293

1

null

6

P 1 21/n 1

-P 2yn

14

[2-(Fluorodimethylstannyl)ethyl]diphenylphosphineoxide

- C16 H20 F O P Sn -

- C64 H80 F4 O4 P4 Sn4 -

4

1

NA1011

Preut, H.; Godry, B.; Mitchell, T.

Structure of [2-(fluorodimethylstannyl)ethyl]diphenylphosphine oxide

Acta Crystallographica Section C

1,992

48

10

1894

1896

10.1107/S0108270192007236

0.71073

MoKα

null

0.027

null

0.038

null

0.81

null

has coordinates

Preut, H.; Godry, B.; Mitchell, T. Structure of [2-(fluorodimethylstannyl)ethyl]diphenylphosphine oxide Acta Crystallographica Section C 48(10) (1992) 1894-1896

176,435

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/05/2000571.cif $ #-------------------------------------------------------------------...

2,000,572

11.642

0.0006

9.3595

0.0005

21.0985

0.0011

90

null

104.252

0.005

90

null

2,228.2

0.2

293

null

7

P 1 21/c 1

-P 2ybc

null

- C20 H52 Cl8 Cr2 N4 O12 Zn2 -

- C20 H44 Cl8 Cr2 N4 O12 Zn2 -

- C40 H88 Cl16 Cr4 N8 O24 Zn4 -

2

0.5

MU1005

Clegg, W.; Straughan, B. P.; Yusoff, A. R.

Structure of a dichromium(II) complex with bridging betaine ligands, [Cr~2~(O~2~CCH~2~NMe~3~)~4~(OH~2~)~2~][ZnCl~4~]~2~.2H~2~O

Acta Crystallographica Section C

1,992

48

10

1896

1898

10.1107/S0108270192006103

0.71073

MoKα

null

0.0488

null

0.0601

null

2.06

null

has coordinates

Clegg, W.; Straughan, B. P.; Yusoff, A. R. Structure of a dichromium(II) complex with bridging betaine ligands, [Cr~2~(O~2~CCH~2~NMe~3~)~4~(OH~2~)~2~][ZnCl~4~]~2~.2H~2~O Acta Crystallographica Section C 48(10) (1992) 1896-1898

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/05/2000572.cif $ #-------------------------------------------------------------------...

2,000,573

11.362

0.002

9.962

0.001

22.113

0.003

90

null

104.01

0.01

90

null

2,428.5

0.6

298

null

4

C 1 2/c 1

-C 2yc

null

- C14 H12 N2 O2 -

- C112 H96 N16 O16 -

8

1

LI1007

Yeap, G.-Y.; Fun, H.-K.; Teo, S.-B.; Teoh, S.-G.

Structure of 2-[(4-methylphenylimino)methyl]-1-nitrobenzene

Acta Crystallographica Section C

1,992

48

10

1898

1900

10.1107/S0108270192005997

0.71069

MoKα

null

0.0526

null

0.061

null

1.46

null

has coordinates

Yeap, G.-Y.; Fun, H.-K.; Teo, S.-B.; Teoh, S.-G. Structure of 2-[(4-methylphenylimino)methyl]-1-nitrobenzene Acta Crystallographica Section C 48(10) (1992) 1898-1900

301,791

2025-08-18

23:14:59

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2,000,574

6.511

0.004

7.18

0.005

14.01

0.01

80.57

0.07

78.93

0.06

81.55

0.05

629.6

0.8

295

null

295

null

4

P -1

-P 1

2

- C6 H12 N8 O9 -

- C6 H10 N8 O8 -

- C12 H20 N16 O16 -

2

1

AB1010

Simonsen, O.

Structure of an oxonium salt crystal complex

Acta Crystallographica Section C

1,992

48

10

1900

1902

10.1107/S0108270192006449

0.71069

MoKα

0.197362

0.082

null

0.0726

0.0696

null

2.817

3

null

has coordinates

Simonsen, O. Structure of an oxonium salt crystal complex Acta Crystallographica Section C 48(10) (1992) 1900-1902

176,432

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176432 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/05/2000574.cif $ #-------------------------------------------------------------------...

7,205,825

8.7198

0.0007

10.1265

0.0009

10.9772

0.0009

88.422

0.001

73.732

0.001

72.307

0.001

884.72

0.13

294

2

294

2

null

6

P -1

-P 1

2

- C32 H32 Cl4 Cu2 N12 O2 -

1

0.5

Tang, Xiao-Liang; Dou, Wei; Zhou, Ji-an; Zhang, Guo-Lin; Liu, Wei-Sheng; Yang, Li-Zi; Shao, Yong-Liang

Metallomacrocycle or coordination polymer: Spacer-directed self-assembly of transition-metal complexes based on flexible bis(benzotriazole) ligands

CrystEngComm

2,011

13

8

2890

10.1039/c0ce00847h

0.71073

MoKα

0.0404

0.031

null

0.0703

0.0748

null

1.016

null

has coordinates

Tang, Xiao-Liang; Dou, Wei; Zhou, Ji-an; Zhang, Guo-Lin; Liu, Wei-Sheng; Yang, Li-Zi; Shao, Yong-Liang Metallomacrocycle or coordination polymer: Spacer-directed self-assembly of transition-metal complexes based on flexible bis(benzotriazole) ligands CrystEngComm 13(8) (2011) 2890

180,389

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-26 17:21:16 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180389 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/58/7205825.cif $ #-------------------------------------------------------------------...

2,000,575

10.85

0.005

8.206

0.004

10.78

0.004

90

null

114.07

0.03

90

null

876.3

0.7

130

null

3

P 1 21/m 1

-P 2yb

11

- C8 H16 O4 -

- C8 H19.5 O4 -

- C32 H78 O16 -

4

1

AB1001

Olmstead, M. M.; Hobbs, J. L.; Planalp, R. P.

Structure of a polydentate alkoxide ligand, cis-tetrahydroxytetramethylcyclobutane

Acta Crystallographica Section C

1,992

48

10

1902

1904

10.1107/S0108270192006425

0.71069

MoKα

null

0.041

null

0.049

null

1.13

null

has coordinates

Olmstead, M. M.; Hobbs, J. L.; Planalp, R. P. Structure of a polydentate alkoxide ligand, cis-tetrahydroxytetramethylcyclobutane Acta Crystallographica Section C 48(10) (1992) 1902-1904

205,956

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2018-01-31 13:05:05 +0200 (Wed, 31 Jan 2018) $ #$Revision: 205956 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/05/2000575.cif $ #-------------------------------------------------------------------...

2,000,576

19.9686

0.0007

16.733

0.0006

11.8636

0.0004

90

null

90

null

90

null

3,964

0.2

293

null

293

null

6

A e 2 a

A -2ab -2ab

41

1,3-bis-[triphenylphosphonio]-propadien-bis-[trifluormethanesulfonate]

- C41 H32 F6 O6 P2 S2 -

- C164 H128 F24 O24 P8 S8 -

4

0.5

SH1002

Bram, A.; Burzlaff, H.; Hadawi, D.; Bestmann, H.-J.

Structure of the allene C~39~H~32~P~2~^2+^.2CF~3~O~3~S^{-^}

Acta Crystallographica Section C

1,992

48

10

1904

1906

10.1107/S0108270192006127

0.7093

MoKα~1~

null

0.041

null

0.027

null

2.66

null

has coordinates

Bram, A.; Burzlaff, H.; Hadawi, D.; Bestmann, H.-J. Structure of the allene C~39~H~32~P~2~^2+^.2CF~3~O~3~S^{-^} Acta Crystallographica Section C 48(10) (1992) 1904-1906

301,791

2025-08-18

23:14:59

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2,000,577

11.157

0.002

11.873

0.004

7.703

0.001

94.54

0.02

106.08

0.02

72.84

0.02

936.8

0.4

293

1

null

3

P -1

-P 1

2

- C20 H28 O5 -

- C40 H56 O10 -

2

1

BR1004

Parvez, M.; Lin, M.-T.; DeShong, P.

{2S-[2α,3α,3aβ,6β(R*),7α,7aα]}-6-(3-Benzyloxy-2-propyl)-2-hydroxy-2,3,7-trimethylhexahydro-4H-furo[3,2-c]pyran-4-one, a rearrangement product of pyranone derivatives in the tirandamycin A series

Acta Crystallographica Section C

1,992

48

10

1906

1908

10.1107/S0108270192005754

0.71069

MoKα

null

0.0628

null

0.0708

null

has coordinates

Parvez, M.; Lin, M.-T.; DeShong, P. {2S-[2α,3α,3aβ,6β(R*),7α,7aα]}-6-(3-Benzyloxy-2-propyl)-2-hydroxy-2,3,7-trimethylhexahydro-4H-furo[3,2-c]pyran-4-one, a rearrangement product of pyranone derivatives in the tirandamycin A series Acta Crystallographica Section C 48(10) (1992) 1906-1908

301,791

2025-08-18

23:14:59

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2,000,578

12.669

0.005

8.76

0.002

9.475

0.005

90

null

107.38

0.03

90

null

1,003.5

0.7

293

null

293

null

5

C 1 2/m 1

-C 2y

12

1,8-dichloro-5-oxa-10-azatricyclo(5.3.1.0~3,8~)undecan-9-one

- C9 H11 Cl2 N O2 -

- C36 H44 Cl8 N4 O8 -

4

0.5

AL1017

Barlow, M. G.; Pritchard, R. G.; Sibous, L.; Tipping, A. E.

1,8-Dichloro-5-oxa-10-azatricyclo[5.3.1.0^3,8^]undecan-9-one: structure of a hydrolysed Diels-Alder addition product

Acta Crystallographica Section C

1,992

48

10

1908

1909

10.1107/S0108270192007340

0.71069

MoKα

null

0.036

null

0.044

null

1.95

null

has coordinates

Barlow, M. G.; Pritchard, R. G.; Sibous, L.; Tipping, A. E. 1,8-Dichloro-5-oxa-10-azatricyclo[5.3.1.0^3,8^]undecan-9-one: structure of a hydrolysed Diels-Alder addition product Acta Crystallographica Section C 48(10) (1992) 1908-1909

301,791

2025-08-18

23:14:59

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7,205,824

7.7004

0.0014

9.5195

0.0018

11.112

0.002

79.404

0.003

86.652

0.003

80.058

0.003

788.3

0.3

294

2

294

2

null

5

P -1

-P 1

2

- C14 H12 Cl2 Cu N6 -

- C28 H24 Cl4 Cu2 N12 -

2

1

Tang, Xiao-Liang; Dou, Wei; Zhou, Ji-an; Zhang, Guo-Lin; Liu, Wei-Sheng; Yang, Li-Zi; Shao, Yong-Liang

Metallomacrocycle or coordination polymer: Spacer-directed self-assembly of transition-metal complexes based on flexible bis(benzotriazole) ligands

CrystEngComm

2,011

13

8

2890

10.1039/c0ce00847h

0.71073

MoKα

0.062

0.0453

null

0.1075

0.116

null

1.031

null

has coordinates

Tang, Xiao-Liang; Dou, Wei; Zhou, Ji-an; Zhang, Guo-Lin; Liu, Wei-Sheng; Yang, Li-Zi; Shao, Yong-Liang Metallomacrocycle or coordination polymer: Spacer-directed self-assembly of transition-metal complexes based on flexible bis(benzotriazole) ligands CrystEngComm 13(8) (2011) 2890

180,389

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-26 17:21:16 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180389 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/58/7205824.cif $ #-------------------------------------------------------------------...

2,000,579

7.6772

0.0006

6.2628

0.0005

12.4889

0.0008

90

null

104.879

0.006

90

null

580.34

0.08

293

null

293

null

3

P 1 21 1

P 2yb

4

Oxonium (R)-O-acetylmandelate

- C10 H12 O5 -

- C20 H24 O10 -

2

1

HA1019

Ferguson, G.; Gallagher, J. F.; Fullwood, R.; Parker, D.

Oxonium (R)-O-acetylmandelate

Acta Crystallographica Section C

1,992

48

10

1909

1911

10.1107/S0108270192008199

0.7093

MolybdenumKα

0.053

0.039

null

0.061

0.055

null

1.24

null

has coordinates

Ferguson, G.; Gallagher, J. F.; Fullwood, R.; Parker, D. Oxonium (R)-O-acetylmandelate Acta Crystallographica Section C 48(10) (1992) 1909-1911

191,032

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-01-27 16:38:21 +0200 (Fri, 27 Jan 2017) $ #$Revision: 191032 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/05/2000579.cif $ #-------------------------------------------------------------------...

2,000,580

7.651

0.002

21.79

0.01

6.689

0.002

90

null

113.85

0.03

90

null

1,019.9

0.7

null

5

P 1 21/n 1

-P 2yn

14

- H26 N4 O20 P4 Te -

- H52 N8 O40 P8 Te2 -

2

0.5

PA9258

Averbuch-Pouchot, M. T.; Durif, A.

Structure of an adduct between diammonium dihydrogendiphosphate and telluric acid: 2(NH~4~)~2~H~2~P~2~O~7~.Te(OH)~6~. Erratum

Acta Crystallographica Section C

1,992

48

10

1912

10.1107/S0108270192007984

0.5608

Ag

null

has coordinates

Averbuch-Pouchot, M. T.; Durif, A. Structure of an adduct between diammonium dihydrogendiphosphate and telluric acid: 2(NH~4~)~2~H~2~P~2~O~7~.Te(OH)~6~. Erratum Acta Crystallographica Section C 48(10) (1992) 1912

278,324

2022-10-03

14:41:52

#------------------------------------------------------------------------------ #$Date: 2022-10-03 17:40:12 +0300 (Mon, 03 Oct 2022) $ #$Revision: 278324 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/05/2000580.cif $ #-------------------------------------------------------------------...

2,000,581

10.1291

0.0008

5.9038

0.0005

14.961

0.001

90

null

103.64

0.008

90

null

869.44

0.12

null

4

A 1 2/a 1

-A 2ya

15

- H K3 O8 Se2 -

- H4 K12 O32 Se8 -

4

0.5

AB0265

Ichikawa, M.; Sato, S.; Komukae, M.; Osaka, T.

Structure of ferroelastic K~3~H(SeO~4~)~2~

Acta Crystallographica Section C

1,992

48

9

1569

1571

10.1107/S0108270192001379

0.71073

Mo

null

has coordinates

Ichikawa, M.; Sato, S.; Komukae, M.; Osaka, T. Structure of ferroelastic K~3~H(SeO~4~)~2~ Acta Crystallographica Section C 48(9) (1992) 1569-1571

205,833

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2018-01-29 00:00:07 +0200 (Mon, 29 Jan 2018) $ #$Revision: 205833 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/05/2000581.cif $ #-------------------------------------------------------------------...

2,000,582

5.5448

0.0003

5.8829

0.0003

7.7434

0.0004

90

null

90

null

90

null

252.59

0.02

null

3

P 21 21 21

P 2ac 2ab

null

- H I O3 -

- H4 I4 O12 -

4

1

AB0266

Ståhl, K.; Szafranski, M.

A neutron powder diffraction study of HIO~3~ and DIO~3~

Acta Crystallographica Section C

1,992

48

9

1571

1574

10.1107/S0108270192001094

neutron

1.47

Neutron

null

has coordinates

Ståhl, K.; Szafranski, M. A neutron powder diffraction study of HIO~3~ and DIO~3~ Acta Crystallographica Section C 48(9) (1992) 1571-1574

301,791

2025-08-18

23:14:59

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2,000,583

5.5408

0.0004

5.8745

0.0004

7.7356

0.0005

90

null

90

null

90

null

251.79

0.03

null

3

P 21 21 21

P 2ac 2ab

null

- D I O3 -

- D4 I4 O12 -

4

1

AB0266

Ståhl, K.; Szafranski, M.

A neutron powder diffraction study of HIO~3~ and DIO~3~

Acta Crystallographica Section C

1,992

48

9

1571

1574

10.1107/S0108270192001094

neutron

1.47

Neutron

null

has coordinates

Ståhl, K.; Szafranski, M. A neutron powder diffraction study of HIO~3~ and DIO~3~ Acta Crystallographica Section C 48(9) (1992) 1571-1574

301,791

2025-08-18

23:14:59

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/05/2000583.cif $ #-------------------------------------------------------------------...

2,000,584

10.0422

0.0005

14.1044

0.0007

6.3273

0.0006

100.369

0.005

98.655

0.006

81.354

0.004

864.49

0.1

null

6

P -1

-P 1

2

- Cl H25 N5 O12 Ru S2 -

- Cl H23 N5 O12 Ru S2 -

- Cl2 H46 N10 O24 Ru2 S4 -

2

1

GR0193

John, E.; Schugar, H. J.; Potenza, J. A.

Structure of pentaamminechlororuthenium(III) bisulfate tetrahydrate

Acta Crystallographica Section C

1,992

48

9

1574

1576

10.1107/S010827019200146X

0.71073

Mo

null

has coordinates

John, E.; Schugar, H. J.; Potenza, J. A. Structure of pentaamminechlororuthenium(III) bisulfate tetrahydrate Acta Crystallographica Section C 48(9) (1992) 1574-1576

278,247

2022-09-28

15:09:31

#------------------------------------------------------------------------------ #$Date: 2022-09-28 18:08:17 +0300 (Wed, 28 Sep 2022) $ #$Revision: 278247 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/05/2000584.cif $ #-------------------------------------------------------------------...