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

2,001,561

20.529

0.002

17.075

0.002

11.82

0.001

90

null

98.65

0.01

90

null

4,096.2

0.7

298

null

298

null

6

A 1 2/a 1

-A 2ya

15

1,3-acetonebis(triphenylphosphonium)(trifluoromethanesulfonate)

- C41 H34 F6 O7 P2 S2 -

- C164 H136 F24 O28 P8 S8 -

4

0.5

SH1045

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

Structure of 1,3-bis(triphenylphosphonium)acetone bis(trifluoromethanesulfonate)

Acta Crystallographica Section C

1,993

49

7

1409

1410

10.1107/S0108270193001660

0.7093

MoKα~1~

null

0.061

null

0.059

null

1.49

null

has coordinates

Bram, A.; Burzlaff, H.; Hadawi, D.; Bestmann, H.-J. Structure of 1,3-bis(triphenylphosphonium)acetone bis(trifluoromethanesulfonate) Acta Crystallographica Section C 49(7) (1993) 1409-1410

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$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/2/00/15/2001561.cif $ #-------------------------------------------------------------------...

2,001,562

8.1213

0.0007

17.514

0.003

18.903

0.003

90

0.01

90

0.009

90

0.01

2,688.7

0.7

287

null

287

null

4

P b c a

-P 2ac 2ab

61

2-(α-hydroxybenzyl)-methyl-8-azabicyclo[3.2.1]octan-3-one

- C15 H19 N O2 -

- C120 H152 N8 O16 -

8

1

CD1010

Li, J.; Quail, J. W.; Zheng, G. Z.; Majewski, M.

Structure of 2-(α-hydroxybenzyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-one

Acta Crystallographica Section C

1,993

49

7

1410

1412

10.1107/S0108270192013581

1.5418

CuKα

0.072

0.048

null

0.062

0.059

null

2.219

2.619

null

has coordinates

Li, J.; Quail, J. W.; Zheng, G. Z.; Majewski, M. Structure of 2-(α-hydroxybenzyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-one Acta Crystallographica Section C 49(7) (1993) 1410-1412

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$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/2/00/15/2001562.cif $ #-------------------------------------------------------------------...

2,001,563

9.718

0.001

9.83

0.001

10.731

0.001

99.26

0.01

105.3

0.01

72.9

0.01

941.2

0.17

295

null

4

P -1

-P 1

2

- C18 H26 N4 O2 -

- C36 H52 N8 O4 -

2

1

OH1014

Hirayama, N.; Nagahara, Y.; Shimada, J.; Suzuki, F.

Structure of 8-(dicyclopropylmethyl)-1,3-dipropylxanthine

Acta Crystallographica Section C

1,993

49

7

1413

1414

10.1107/S0108270193000678

1.54184

CuKα

null

0.073

null

0.072

null

0.686

null

has coordinates

Hirayama, N.; Nagahara, Y.; Shimada, J.; Suzuki, F. Structure of 8-(dicyclopropylmethyl)-1,3-dipropylxanthine Acta Crystallographica Section C 49(7) (1993) 1413-1414

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$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/2/00/15/2001563.cif $ #-------------------------------------------------------------------...

7,205,599

9.982

0.005

14.264

0.006

14.747

0.007

90

null

101.191

0.007

90

null

2,059.8

1.7

223

2

223

2

null

7

P 1 21/a 1

-P 2yab

14

- C36 H32 Cl2 N4 O8 S8 Zn -

- C72 H64 Cl4 N8 O16 S16 Zn2 -

2

0.5

Zhu, Qin-Yu; Yu, Lei; Qin, Yu-Rong; Huo, Li-Bin; Shao, Ming-Yan; Dai, Jie

Anion-dependent crystallization of zinc complexes with the ligand 4′,5′-diaza-9′-(4,5-disubstituted-1,3-dithiol-2-ylidene) fluorene: Structures and spectroscopic properties

CrystEngComm

2,011

13

7

2521

10.1039/c0ce00424c

0.71075

MoKα

0.1106

0.0782

null

0.153

0.1708

null

1.026

null

has coordinates

Zhu, Qin-Yu; Yu, Lei; Qin, Yu-Rong; Huo, Li-Bin; Shao, Ming-Yan; Dai, Jie Anion-dependent crystallization of zinc complexes with the ligand 4′,5′-diaza-9′-(4,5-disubstituted-1,3-dithiol-2-ylidene) fluorene: Structures and spectroscopic properties CrystEngComm 13(7) (2011) 2521

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/7/20/55/7205599.cif $ #-------------------------------------------------------------------...

2,001,564

5.886

0.003

10.566

0.006

6.146

0.003

90

null

111.6

0.04

90

null

355.4

0.3

null

4

P 1 21/a 1

-P 2yab

null

- B H4 Na O4 -

- B4 H16 Na4 O16 -

4

1

MU1036

Csetenyi, L. J.; Glasser, F. P.; Howie, R. A.

Structure of sodium tetrahydroxyborate

Acta Crystallographica Section C

1,993

49

6

1039

1041

10.1107/S0108270193000058

0.71069

Mo

null

has coordinates

Csetenyi, L. J.; Glasser, F. P.; Howie, R. A. Structure of sodium tetrahydroxyborate Acta Crystallographica Section C 49(6) (1993) 1039-1041

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/2/00/15/2001564.cif $ #-------------------------------------------------------------------...

2,001,565

9.264

0.003

9.264

0.003

35.503

0.012

90

null

90

null

90

null

3,046.9

1.7

null

6

P 43

null

- C25 H34 Cu N6 O8 S -

- C25 H28 Cu N7 O11 S -

- C100 H112 Cu4 N28 O44 S4 -

4

1

HU1013

Fritsky, I. O.; Lampeka, R. D.; Kravtsov, V. Kh.; Simonov, Y. A.

Structure of catena-poly[tris(pyridine)copper-μ-{N-(2-hydroxyiminopropionyl)-L-methioninato(1‒)-O'',N':O}] nitrate ethanol solvate

Acta Crystallographica Section C

1,993

49

6

1041

1044

10.1107/S0108270192012836

1.5418

Cu

null

has coordinates

Fritsky, I. O.; Lampeka, R. D.; Kravtsov, V. Kh.; Simonov, Y. A. Structure of catena-poly[tris(pyridine)copper-μ-{N-(2-hydroxyiminopropionyl)-L-methioninato(1‒)-O'',N':O}] nitrate ethanol solvate Acta Crystallographica Section C 49(6) (1993) 1041-1044

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/2/00/15/2001565.cif $ #-------------------------------------------------------------------...

2,001,566

10.882

0.004

12.127

0.004

12.986

0.004

90

null

90

null

90

null

1,713.7

1

null

4

P 21 21 21

P 2ac 2ab

null

- C18 H15 Cl2 Sb -

- C72 H60 Cl8 Sb4 -

4

1

AL1016

Begley, M. J.; Sowerby, D. B.

Structures of triphenylantimony(V) dibromide and dichloride

Acta Crystallographica Section C

1,993

49

6

1044

1046

10.1107/S0108270192011958

0.7107

Mo

null

has coordinates

Begley, M. J.; Sowerby, D. B. Structures of triphenylantimony(V) dibromide and dichloride Acta Crystallographica Section C 49(6) (1993) 1044-1046

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/2/00/15/2001566.cif $ #-------------------------------------------------------------------...

2,001,567

24.179

0.008

10.282

0.003

14.234

0.005

90

null

90

null

90

null

3,539

2

null

4

F d d 2

F 2 -2d

null

- C18 H15 Br2 Sb -

- C144 H120 Br16 Sb8 -

8

0.5

AL1016

Begley, M. J.; Sowerby, D. B.

Structures of triphenylantimony(V) dibromide and dichloride

Acta Crystallographica Section C

1,993

49

6

1044

1046

10.1107/S0108270192011958

0.7107

Mo

null

has coordinates

Begley, M. J.; Sowerby, D. B. Structures of triphenylantimony(V) dibromide and dichloride Acta Crystallographica Section C 49(6) (1993) 1044-1046

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/2/00/15/2001567.cif $ #-------------------------------------------------------------------...

2,001,568

8.416

0.002

15.423

0.005

8.679

0.003

90

null

110.08

0.05

90

null

1,058.1

0.7

null

5

P 1 21/n 1

-P 2yn

14

- C12 H20 Cu2 N8 O8 -

- C12 H32 Cu2 N8 O8 -

- C24 H64 Cu4 N16 O16 -

2

0.5

AL0493

Begley, M. J.; Hubberstey, P.; Spittle, P. H.; Walton, P. H.

Structure of tetrakis(μ-acetato-5κO:κO')-bis(2-cyano-κN-guanidine)dicopper(II)

Acta Crystallographica Section C

1,993

49

6

1047

1049

10.1107/S0108270192005122

0.71073

Mo

null

has coordinates

Begley, M. J.; Hubberstey, P.; Spittle, P. H.; Walton, P. H. Structure of tetrakis(μ-acetato-5κO:κO')-bis(2-cyano-κN-guanidine)dicopper(II) Acta Crystallographica Section C 49(6) (1993) 1047-1049

278,324

2022-10-03

14:41:53

#------------------------------------------------------------------------------ #$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/2/00/15/2001568.cif $ #-------------------------------------------------------------------...

7,205,598

25.617

0.005

11.331

0.002

24.005

0.005

90

null

94.519

0.003

90

null

6,946

2

223

2

223

2

null

7

P 1 2/c 1

-P 2yc

13

- C55.5 H54 Cl6 N6 O1.5 S12 Zn3 -

- C55.5 H28 Cl6 N6 O1.5 S12 Zn3 -

- C222 H112 Cl24 N24 O6 S48 Zn12 -

4

1

Zhu, Qin-Yu; Yu, Lei; Qin, Yu-Rong; Huo, Li-Bin; Shao, Ming-Yan; Dai, Jie

Anion-dependent crystallization of zinc complexes with the ligand 4′,5′-diaza-9′-(4,5-disubstituted-1,3-dithiol-2-ylidene) fluorene: Structures and spectroscopic properties

CrystEngComm

2,011

13

7

2521

10.1039/c0ce00424c

0.71075

MoKα

0.1267

0.1003

null

0.2698

0.2934

null

1.153

null

has coordinates,has disorder

Zhu, Qin-Yu; Yu, Lei; Qin, Yu-Rong; Huo, Li-Bin; Shao, Ming-Yan; Dai, Jie Anion-dependent crystallization of zinc complexes with the ligand 4′,5′-diaza-9′-(4,5-disubstituted-1,3-dithiol-2-ylidene) fluorene: Structures and spectroscopic properties CrystEngComm 13(7) (2011) 2521

180,386

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-26 17:17:52 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180386 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/55/7205598.cif $ #-------------------------------------------------------------------...

2,001,569

8.848

0.002

9.375

0.001

11.906

0.002

74.1

0.01

74.36

0.01

83.43

0.01

913.8

0.3

null

5

P -1

-P 1

2

- C16 H12 Cl2 Co N8 -

- C32 H24 Cl4 Co2 N16 -

2

1

NA1021

De Munno, G.; Nicolò, F.; Julve, M.

Structure of bis(2,2'-bipyrimidine-N,N')dichlorocobalt(II), [Co(bpm)~2~Cl~2~]

Acta Crystallographica Section C

1,993

49

6

1049

1052

10.1107/S0108270192013192

0.71069

Mo

null

has coordinates

De Munno, G.; Nicolò, F.; Julve, M. Structure of bis(2,2'-bipyrimidine-N,N')dichlorocobalt(II), [Co(bpm)~2~Cl~2~] Acta Crystallographica Section C 49(6) (1993) 1049-1052

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/2/00/15/2001569.cif $ #-------------------------------------------------------------------...

2,001,570

9.22

0.005

11.493

0.002

12.433

0.003

102.74

0.02

90.82

0.03

93.25

0.03

1,282.5

0.8

null

7

P -1

-P 1

2

- C26 H22 Cl9 N2 O2 Re6 S17 -

- C26 H22 Cl6 N2 O2 Re6 S20 -

1

0.5

DU1024

Gabriel, J.-C.; Johannsen, I.; Batail, P.; Coulon, C.

A novel type of two-dimensional pattern of association of mixed-valence dimers in the structures of two cation radical salts of thieno- and selenolo[3,4-d]-1,3-dithiol-2-ylidene and a monovalent hexanuclear chalcohalide rhenium cluster anion

Acta Crystallographica Section C

1,993

49

6

1052

1056

10.1107/S0108270193001076

0.71073

Mo

null

has coordinates

Gabriel, J.-C.; Johannsen, I.; Batail, P.; Coulon, C. A novel type of two-dimensional pattern of association of mixed-valence dimers in the structures of two cation radical salts of thieno- and selenolo[3,4-d]-1,3-dithiol-2-ylidene and a monovalent hexanuclear chalcohalide rhenium cluster anion Acta Crystallogra...

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/2/00/15/2001570.cif $ #-------------------------------------------------------------------...

2,001,571

9.245

0.001

11.576

0.002

12.433

0.002

102.75

0.01

90.72

0.01

93.21

0.01

1,295.3

0.3

null

8

P -1

-P 1

2

- C26 H22 Cl9 N2 O2 Re6 S13 Se4 -

- C26 H22 Cl6 N2 O2 Re6 S16 Se4 -

1

0.5

DU1024

Gabriel, J.-C.; Johannsen, I.; Batail, P.; Coulon, C.

A novel type of two-dimensional pattern of association of mixed-valence dimers in the structures of two cation radical salts of thieno- and selenolo[3,4-d]-1,3-dithiol-2-ylidene and a monovalent hexanuclear chalcohalide rhenium cluster anion

Acta Crystallographica Section C

1,993

49

6

1052

1056

10.1107/S0108270193001076

0.71073

Mo

null

has coordinates

Gabriel, J.-C.; Johannsen, I.; Batail, P.; Coulon, C. A novel type of two-dimensional pattern of association of mixed-valence dimers in the structures of two cation radical salts of thieno- and selenolo[3,4-d]-1,3-dithiol-2-ylidene and a monovalent hexanuclear chalcohalide rhenium cluster anion Acta Crystallogra...

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/2/00/15/2001571.cif $ #-------------------------------------------------------------------...

7,205,597

25.41

0.004

11.2071

0.0015

23.501

0.004

90

null

96.552

0.002

90

null

6,648.7

1.8

223

2

223

2

null

7

P 1 2/c 1

-P 2yc

13

- C50 H44 Cl8 N6 O2 S12 Zn3 -

- C50 H36 Cl8 N6 O2 S12 Zn3 -

- C200 H144 Cl32 N24 O8 S48 Zn12 -

4

1

Zhu, Qin-Yu; Yu, Lei; Qin, Yu-Rong; Huo, Li-Bin; Shao, Ming-Yan; Dai, Jie

Anion-dependent crystallization of zinc complexes with the ligand 4′,5′-diaza-9′-(4,5-disubstituted-1,3-dithiol-2-ylidene) fluorene: Structures and spectroscopic properties

CrystEngComm

2,011

13

7

2521

10.1039/c0ce00424c

0.71075

MoKα

0.1176

0.1033

null

0.1797

0.1862

null

1.185

null

has coordinates

Zhu, Qin-Yu; Yu, Lei; Qin, Yu-Rong; Huo, Li-Bin; Shao, Ming-Yan; Dai, Jie Anion-dependent crystallization of zinc complexes with the ligand 4′,5′-diaza-9′-(4,5-disubstituted-1,3-dithiol-2-ylidene) fluorene: Structures and spectroscopic properties CrystEngComm 13(7) (2011) 2521

180,386

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-26 17:17:52 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180386 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/55/7205597.cif $ #-------------------------------------------------------------------...

2,001,572

16.493

0.003

13.691

0.004

21.422

0.008

90

null

111.2

0.02

90

null

4,510

2

null

6

P 1 21/n 1

-P 2yn

14

- C44 H69 B Fe N2 P4 -

- C176 H276 B4 Fe4 N8 P16 -

4

1

HL1022

Buys, I. E.; Field, L. D.; Hambley, T. W.; McQueen, A. E. D.

Structure of [FeH(N~2~){(H~5~C~2~)~2~PCH~2~CH~2~P(C~2~H~5~)~2~}~2~]BPh~4~

Acta Crystallographica Section C

1,993

49

6

1056

1059

10.1107/S0108270193000903

0.7107

Mo

null

has coordinates

Buys, I. E.; Field, L. D.; Hambley, T. W.; McQueen, A. E. D. Structure of [FeH(N~2~){(H~5~C~2~)~2~PCH~2~CH~2~P(C~2~H~5~)~2~}~2~]BPh~4~ Acta Crystallographica Section C 49(6) (1993) 1056-1059

278,324

2022-10-03

14:41:53

#------------------------------------------------------------------------------ #$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/2/00/15/2001572.cif $ #-------------------------------------------------------------------...

2,001,573

10.253

0.003

12.765

0.003

13.407

0.003

63.42

0.02

82.38

0.02

80.8

0.02

1,545.4

0.7

null

7

P -1

-P 1

2

- C60 H68 Br2 Hg2 Li2 O8 P4 -

- C30 H34 Br Hg Li O4 P2 -

- C60 H68 Br2 Hg2 Li2 O8 P4 -

2

1

CR1029

Kresinski, R. A.; Fackler, Jnr, J. P.

Structure of diaquadibromobis(tetrahydrofuran)dilithium–tetrakis(methyleneoxydiphenylphosphinato)dimercury(II), [Hg(Br){CH~2~P(O)Ph~2~}~2~Li(H~2~O)(C~4~H~8~O)]~2~

Acta Crystallographica Section C

1,993

49

6

1059

1061

10.1107/S0108270193000551

0.71073

Mo

null

has coordinates

Kresinski, R. A.; Fackler, Jnr, J. P. Structure of diaquadibromobis(tetrahydrofuran)dilithium–tetrakis(methyleneoxydiphenylphosphinato)dimercury(II), [Hg(Br){CH~2~P(O)Ph~2~}~2~Li(H~2~O)(C~4~H~8~O)]~2~ Acta Crystallographica Section C 49(6) (1993) 1059-1061

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/2/00/15/2001573.cif $ #-------------------------------------------------------------------...

2,001,574

7.692

0.002

10.565

0.001

15.057

0.003

90

null

98.99

0.01

90

null

1,208.6

0.4

null

4

P 1 21/n 1

-P 2yn

14

- C12 H15 Ir O2 -

- C12 Ir O2 -

- C48 Ir4 O8 -

4

1

HH0570

Chen, J.; Daniels, L. M.; Angelici, R. J.

Structure of dicarbonyl(η^5^-pentamethylcyclopentadienyl)iridium

Acta Crystallographica Section C

1,993

49

6

1061

1063

10.1107/S0108270193000630

0.71073

Mo

null

has coordinates

Chen, J.; Daniels, L. M.; Angelici, R. J. Structure of dicarbonyl(η^5^-pentamethylcyclopentadienyl)iridium Acta Crystallographica Section C 49(6) (1993) 1061-1063

278,324

2022-10-03

14:41:53

#------------------------------------------------------------------------------ #$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/2/00/15/2001574.cif $ #-------------------------------------------------------------------...

2,001,575

12.145

0.002

13.832

0.003

14.624

0.004

90

null

90

null

90

null

2,456.7

0.9

null

6

P b n a

-P 2ac 2b

null

- C12 H32 Cl3 Cr N6 O12 -

- C6 Cl1.5 Cr0.5 N3 O6 -

- C48 Cl12 Cr4 N24 O48 -

8

1

BR1007

Beveridge, K. A.; Heyd, D.; Kirk, A. D.

Structure of cis-(1,2-ethanediamine)(1,4,8,11-tetraazacyclotetradecane)chromium(III) perchlorate

Acta Crystallographica Section C

1,993

49

6

1063

1066

10.1107/S0108270193002033

0.71069

Mo

null

has coordinates

Beveridge, K. A.; Heyd, D.; Kirk, A. D. Structure of cis-(1,2-ethanediamine)(1,4,8,11-tetraazacyclotetradecane)chromium(III) perchlorate Acta Crystallographica Section C 49(6) (1993) 1063-1066

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/2/00/15/2001575.cif $ #-------------------------------------------------------------------...

2,001,576

10.871

0.006

21.962

0.01

11.65

0.006

90

null

110.11

0.04

90

null

2,612

2

null

4

P 1 21/c 1

-P 2ybc

null

- C28 H24 Cl4 Pb -

- C112 H96 Cl16 Pb4 -

4

1

SH1031

Fahrenkampf, U.; Schürmann, M.; Huber, F.

Tetrakis(2-chlorobenzyl)lead

Acta Crystallographica Section C

1,993

49

6

1066

1068

10.1107/S010827019300157X

0.71073

Mo

null

has coordinates

Fahrenkampf, U.; Schürmann, M.; Huber, F. Tetrakis(2-chlorobenzyl)lead Acta Crystallographica Section C 49(6) (1993) 1066-1068

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/2/00/15/2001576.cif $ #-------------------------------------------------------------------...

2,001,577

37.912

0.003

9.286

0.001

17.482

0.003

90

null

90

null

90

null

6,154.6

1.3

null

6

P n a 21

P 2c -2n

null

- C28 H44 N O Re S4 -

- C224 H352 N8 O8 Re8 S32 -

8

2

SH1033

Hübener, R.; Abram, U.

Structure of tetrabutylammonium bis[benzene-1,2-dithiolato(2‒)]oxorhenate(V)

Acta Crystallographica Section C

1,993

49

6

1068

1070

10.1107/S0108270193001568

0.7093

Mo

null

has coordinates

Hübener, R.; Abram, U. Structure of tetrabutylammonium bis[benzene-1,2-dithiolato(2‒)]oxorhenate(V) Acta Crystallographica Section C 49(6) (1993) 1068-1070

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/2/00/15/2001577.cif $ #-------------------------------------------------------------------...

7,205,596

16.611

0.0016

15.9977

0.0015

15.7389

0.0015

90

null

90

null

90

null

4,182.4

0.7

223

2

223

2

null

6

P n a 21

P 2c -2n

33

- C40 H33 N5 O6 S8 Zn -

- C40 H29 N5 O6 S8 Zn -

- C160 H116 N20 O24 S32 Zn4 -

4

1

Zhu, Qin-Yu; Yu, Lei; Qin, Yu-Rong; Huo, Li-Bin; Shao, Ming-Yan; Dai, Jie

Anion-dependent crystallization of zinc complexes with the ligand 4′,5′-diaza-9′-(4,5-disubstituted-1,3-dithiol-2-ylidene) fluorene: Structures and spectroscopic properties

CrystEngComm

2,011

13

7

2521

10.1039/c0ce00424c

0.7107

MoKα

0.0688

0.0589

null

0.125

0.13

null

1.088

null

has coordinates

Zhu, Qin-Yu; Yu, Lei; Qin, Yu-Rong; Huo, Li-Bin; Shao, Ming-Yan; Dai, Jie Anion-dependent crystallization of zinc complexes with the ligand 4′,5′-diaza-9′-(4,5-disubstituted-1,3-dithiol-2-ylidene) fluorene: Structures and spectroscopic properties CrystEngComm 13(7) (2011) 2521

180,386

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-26 17:17:52 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180386 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/55/7205596.cif $ #-------------------------------------------------------------------...

2,001,578

10.3997

0.0014

4.6395

0.0012

18.2211

0.0011

90

null

100.994

0.007

90

null

863

0.3

null

4

P 1 21/n 1

-P 2yn

14

- C8 H11 N3 O -

- C32 H44 N12 O4 -

4

1

BR1006

Jean-Claude, B. J.; Britten, J. F.; Just, G.

Structure of N-(2-aminophenyl)-N'-methylurea

Acta Crystallographica Section C

1,993

49

6

1070

1072

10.1107/S0108270192012290

1.54178

Cu

null

has coordinates

Jean-Claude, B. J.; Britten, J. F.; Just, G. Structure of N-(2-aminophenyl)-N'-methylurea Acta Crystallographica Section C 49(6) (1993) 1070-1072

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$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/2/00/15/2001578.cif $ #-------------------------------------------------------------------...

2,001,579

11.429

0.001

14.39

0.004

19.459

0.003

70.49

0.02

78.14

0.01

69.69

0.02

2,814.4

1

null

4

P -1

-P 1

2

- C27 H35 O11 P -

- C27 H32.5 O11 P -

- C108 H130 O44 P4 -

4

2

HA1027

Chaloner, P. A.; Harrison, R. M.; Hitchcock, P. B.

Structure of tris(2,4,6-trimethoxyphenyl)phosphine oxide hydrate

Acta Crystallographica Section C

1,993

49

6

1072

1075

10.1107/S010827019300023X

0.71069

Mo

null

has coordinates

Chaloner, P. A.; Harrison, R. M.; Hitchcock, P. B. Structure of tris(2,4,6-trimethoxyphenyl)phosphine oxide hydrate Acta Crystallographica Section C 49(6) (1993) 1072-1075

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/2/00/15/2001579.cif $ #-------------------------------------------------------------------...

2,001,580

18.787

0.007

43.46

0.02

5.828

0.002

90

null

90

null

90

null

4,758

3

null

4

F d d 2

F 2 -2d

null

- C14 H12 O S -

- C224 H192 O16 S16 -

16

1

CR1026

Li, Z.; Su, G.

Thiophene chalcone

Acta Crystallographica Section C

1,993

49

6

1075

1077

10.1107/S0108270192013441

0.71073

Mo

null

has coordinates

Li, Z.; Su, G. Thiophene chalcone Acta Crystallographica Section C 49(6) (1993) 1075-1077

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$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/2/00/15/2001580.cif $ #-------------------------------------------------------------------...

2,001,581

6.133

0.001

8.834

0.002

20.653

0.003

90

null

90

null

90

null

1,119

0.4

null

5

P b c 21

P 2c -2b

null

- C9 H10 Cl2 N2 O2 -

- C36 H40 Cl8 N8 O8 -

4

1

DU1020

Cadiergue, H.; Pèpe, G.; Astier, J. P.; Boistelle, R.; Fiard, J. F.

Structure of linuron, 3-(3,4-dichlorophenyl)-1-methoxy-1-methylurea

Acta Crystallographica Section C

1,993

49

6

1078

1080

10.1107/S0108270192012976

1.5418

Cu

null

has coordinates

Cadiergue, H.; Pèpe, G.; Astier, J. P.; Boistelle, R.; Fiard, J. F. Structure of linuron, 3-(3,4-dichlorophenyl)-1-methoxy-1-methylurea Acta Crystallographica Section C 49(6) (1993) 1078-1080

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$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/2/00/15/2001581.cif $ #-------------------------------------------------------------------...

2,001,582

11.749

0.007

7.083

0.004

28.76

0.02

90

null

97.15

0.06

90

null

2,375

3

null

5

P 1 21/n 1

-P 2yn

14

- C24 H39 Cl N2 O3 -

- C96 H156 Cl4 N8 O12 -

4

1

KA1006

Kettmann, V.; Sivý, J.; Frešová, E.; Gregáň, F.

Structure of cis-1-{2-[(2-butoxy)phenylcarbamoyloxy]cycloheptylmethyl}piperidinium chloride

Acta Crystallographica Section C

1,993

49

6

1080

1082

10.1107/S0108270192012939

0.71069

Mo

null

has coordinates

Kettmann, V.; Sivý, J.; Frešová, E.; Gregáň, F. Structure of cis-1-{2-[(2-butoxy)phenylcarbamoyloxy]cycloheptylmethyl}piperidinium chloride Acta Crystallographica Section C 49(6) (1993) 1080-1082

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$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/2/00/15/2001582.cif $ #-------------------------------------------------------------------...

2,001,583

25.744

0.003

7.889

0.001

7.442

0.001

90

null

91.61

0.01

90

null

1,510.8

0.3

null

4

P 1 21/a 1

-P 2yab

null

- C34 H20 N6 O12 -

- C68 H40 N12 O24 -

2

0.5

CR1016

Zacharias, D. E.

Structures of three electron donor–acceptor complexes of dibenz[a,h]anthracene (DBA)

Acta Crystallographica Section C

1,993

49

6

1082

1087

10.1107/S0108270192013325

1.5418

Cu

null

has coordinates

Zacharias, D. E. Structures of three electron donor–acceptor complexes of dibenz[a,h]anthracene (DBA) Acta Crystallographica Section C 49(6) (1993) 1082-1087

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$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/2/00/15/2001583.cif $ #-------------------------------------------------------------------...

7,205,595

18.078

0.006

37.848

0.01

15.839

0.005

90

null

123.46

0.004

90

null

9,041

5

223

2

223

2

null

7

C 1 2/c 1

-C 2yc

15

- C35.5 H35 Cl2 N6 O8 S8 Zn -

- C35.5 H30 Cl2 N6 O8 S8 Zn -

- C284 H240 Cl16 N48 O64 S64 Zn8 -

8

1

Zhu, Qin-Yu; Yu, Lei; Qin, Yu-Rong; Huo, Li-Bin; Shao, Ming-Yan; Dai, Jie

Anion-dependent crystallization of zinc complexes with the ligand 4′,5′-diaza-9′-(4,5-disubstituted-1,3-dithiol-2-ylidene) fluorene: Structures and spectroscopic properties

CrystEngComm

2,011

13

7

2521

10.1039/c0ce00424c

0.71075

MoKα

0.1216

0.098

null

0.1642

0.1764

null

0.948

null

has coordinates

Zhu, Qin-Yu; Yu, Lei; Qin, Yu-Rong; Huo, Li-Bin; Shao, Ming-Yan; Dai, Jie Anion-dependent crystallization of zinc complexes with the ligand 4′,5′-diaza-9′-(4,5-disubstituted-1,3-dithiol-2-ylidene) fluorene: Structures and spectroscopic properties CrystEngComm 13(7) (2011) 2521

180,386

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-26 17:17:52 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180386 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/55/7205595.cif $ #-------------------------------------------------------------------...

2,001,584

20.784

0.002

7.357

0.001

7.524

0.001

90

null

97.71

0.01

90

null

1,140.1

0.2

null

3

P 1 21/n 1

-P 2yn

14

- C32 H16 O6 -

- C64 H32 O12 -

2

0.5

CR1016

Zacharias, D. E.

Structures of three electron donor–acceptor complexes of dibenz[a,h]anthracene (DBA)

Acta Crystallographica Section C

1,993

49

6

1082

1087

10.1107/S0108270192013325

1.5418

Cu

null

has coordinates

Zacharias, D. E. Structures of three electron donor–acceptor complexes of dibenz[a,h]anthracene (DBA) Acta Crystallographica Section C 49(6) (1993) 1082-1087

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$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/2/00/15/2001584.cif $ #-------------------------------------------------------------------...

2,001,585

19.991

0.004

8.324

0.002

7.821

0.002

90

null

105.06

0.02

90

null

1,256.8

0.5

null

3

P 1 21/a 1

-P 2yab

null

- C36 H18 O6 -

- C72 H36 O12 -

2

0.5

CR1016

Zacharias, D. E.

Structures of three electron donor–acceptor complexes of dibenz[a,h]anthracene (DBA)

Acta Crystallographica Section C

1,993

49

6

1082

1087

10.1107/S0108270192013325

1.5418

Cu

null

has coordinates

Zacharias, D. E. Structures of three electron donor–acceptor complexes of dibenz[a,h]anthracene (DBA) Acta Crystallographica Section C 49(6) (1993) 1082-1087

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$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/2/00/15/2001585.cif $ #-------------------------------------------------------------------...

2,001,586

11.745

0.004

7.6

0.004

21.929

0.006

90

null

118.36

0.04

90

null

1,722.5

1.3

null

4

P 1 21/c 1

-P 2ybc

null

- C20 H15 N3 S -

- C80 H60 N12 S4 -

4

1

HU1022

Cheung, K.-K.; Echevarria, A.; Galembeck, S.; Maciel, M. A. M.; Miller, J.; Rumjanek, V. M.; Simas, A. M.

Mesoionic compounds. 4. Structure of 1,4,5-triphenyl-1,2,4-triazolium-3-thiolate

Acta Crystallographica Section C

1,993

49

6

1092

1094

10.1107/S0108270192012642

0.7107

Mo

null

has coordinates

Cheung, K.-K.; Echevarria, A.; Galembeck, S.; Maciel, M. A. M.; Miller, J.; Rumjanek, V. M.; Simas, A. M. Mesoionic compounds. 4. Structure of 1,4,5-triphenyl-1,2,4-triazolium-3-thiolate Acta Crystallographica Section C 49(6) (1993) 1092-1094

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$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/2/00/15/2001586.cif $ #-------------------------------------------------------------------...

2,001,587

4.691

0.001

14.448

0.002

12.924

0.003

90

null

97.63

0.01

90

null

868.2

0.3

null

4

P 1 21 1

P 2yb

4

- C16 H21 N3 O6 -

- C16 H17 N3 O7 -

- C32 H34 N6 O14 -

2

1

HL1026

Gulbis, J. M.; Mackay, M. F.; Holan, G.; Marcuccio, S. M.

Structure of a dideoxynucleoside active against the HIV (AIDS) virus

Acta Crystallographica Section C

1,993

49

6

1095

1097

10.1107/S0108270193002094

1.5418

Cu

null

has coordinates

Gulbis, J. M.; Mackay, M. F.; Holan, G.; Marcuccio, S. M. Structure of a dideoxynucleoside active against the HIV (AIDS) virus Acta Crystallographica Section C 49(6) (1993) 1095-1097

205,898

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2018-01-30 16:30:45 +0200 (Tue, 30 Jan 2018) $ #$Revision: 205898 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/15/2001587.cif $ #-------------------------------------------------------------------...

7,205,594

9.4536

0.0019

9.946

0.002

17.296

0.004

98.88

0.03

98.57

0.03

91.31

0.03

1,587.1

0.6

173

2

173

2

null

4

P 1

1

(R,R)-(-)-trans-2,3-bis(hydroxydiphenylmethyl)-1,4-dioxaspiro(4,5)decane DMA solvate

- C38 H43 N O5 -

- C76 H86 N2 O10 -

2

Báthori, Nikoletta B.; Nassimbeni, Luigi R.

Selectivity of amides by host–guest inclusion

CrystEngComm

2,011

13

9

3156

10.1039/c0ce00362j

0.71073

MoKα

0.0285

0.0266

null

0.0659

0.0676

null

1.061

null

has coordinates,has disorder

Báthori, Nikoletta B.; Nassimbeni, Luigi R. Selectivity of amides by host–guest inclusion CrystEngComm 13(9) (2011) 3156

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/7/20/55/7205594.cif $ #-------------------------------------------------------------------...

2,001,588

8.44

0.001

11.723

0.002

13.016

0.002

67.17

0.01

76.08

0.1

71.4

0.01

1,114.8

0.4

293

2

293

2

null

3

P -1

-P 1

2

cis,syn,cis-tricyclo[6.4.0.0^2,7^]-dodecan-2,3,8-triol

- C12 H20 O3 -

- C48 H80 O12 -

4

2

KA1008

Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Brosse, N.; Caubère, P.

Structures of some methylenecyclobutanols and transposed derivatives

Acta Crystallographica Section C

1,993

49

6

1098

1103

10.1107/S0108270192012927

1.54178

X-rayCuKαmean

null

0.0462

null

0.055

null

1.5653

null

has coordinates

Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Brosse, N.; Caubère, P. Structures of some methylenecyclobutanols and transposed derivatives Acta Crystallographica Section C 49(6) (1993) 1098-1103

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$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/2/00/15/2001588.cif $ #-------------------------------------------------------------------...

2,001,589

11.688

0.002

12.208

0.003

24.328

0.006

90

null

90.98

0.01

90

null

3,470.8

1.3

293

2

293

2

null

4

C 1 2/c 1

-C 2yc

15

cis,syn,cis-8-methoxy-2,3-dimethyl-sulfonyl-tricyclo[6.3.0.0^2,7^]-undecane

- C14 H24 O7 S2 -

- C112 H192 O56 S16 -

8

1

KA1008

Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Brosse, N.; Caubère, P.

Structures of some methylenecyclobutanols and transposed derivatives

Acta Crystallographica Section C

1,993

49

6

1098

1103

10.1107/S0108270192012927

1.54178

X-rayCuKαmean

null

0.061

null

0.0837

null

2.6338

null

has coordinates

Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Brosse, N.; Caubère, P. Structures of some methylenecyclobutanols and transposed derivatives Acta Crystallographica Section C 49(6) (1993) 1098-1103

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$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/2/00/15/2001589.cif $ #-------------------------------------------------------------------...

2,001,590

14.317

0.002

12.02

0.002

6.49

0.001

90

null

90

null

90

null

1,116.9

0.3

293

2

293

2

null

3

P 21 21 21

P 2ac 2ab

19

cis,syn,cis-1-methoxy-tricyclo[6.3.0.0^2,6^]undecan-7-ol

- C12 H20 O2 -

- C48 H80 O8 -

4

1

KA1008

Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Brosse, N.; Caubère, P.

Structures of some methylenecyclobutanols and transposed derivatives

Acta Crystallographica Section C

1,993

49

6

1098

1103

10.1107/S0108270192012927

1.54178

X-rayCuKαmean

null

0.0412

null

0.0534

null

0.6603

null

has coordinates

Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Brosse, N.; Caubère, P. Structures of some methylenecyclobutanols and transposed derivatives Acta Crystallographica Section C 49(6) (1993) 1098-1103

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$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/2/00/15/2001590.cif $ #-------------------------------------------------------------------...

7,205,593

9.65

0.0012

10.6523

0.0012

29.701

0.004

90

null

90

null

90

null

3,053.1

0.7

173

2

173

2

null

4

P 21 21 21

P 2ac 2ab

19

(R,R)-(-)-trans-2,3-bis(hydroxydiphenylmethyl)-1,4-dioxaspiro(4,5)decane DMF solvate

- C37 H41 N O5 -

- C148 H164 N4 O20 -

4

1

Báthori, Nikoletta B.; Nassimbeni, Luigi R.

Selectivity of amides by host–guest inclusion

CrystEngComm

2,011

13

9

3156

10.1039/c0ce00362j

0.71073

MoKα

0.0398

0.032

null

0.0729

0.0767

null

1.097

null

has coordinates

Báthori, Nikoletta B.; Nassimbeni, Luigi R. Selectivity of amides by host–guest inclusion CrystEngComm 13(9) (2011) 3156

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/7/20/55/7205593.cif $ #-------------------------------------------------------------------...

2,001,591

18.805

0.002

6.318

0.001

9.988

0.001

90

null

112.41

0.01

90

null

1,097.1

0.2

null

3

P 1 21 1

P 2yb

4

- C27 H26 O5 -

- C54 H52 O10 -

2

1

AB1039

Iversen, B. B.; Møller, E. R.; Krogh, L.; Holm, M. F.; Dynesen, E.; Larsen, F. K.; Hazell, R. G.

Two structures involved in the separation of the enantiomeric pair of 2,2'-spirobi[indan]-1,1'-dione

Acta Crystallographica Section C

1,993

49

6

1104

1107

10.1107/S010827019300071X

0.71073

Mo

null

has coordinates

Iversen, B. B.; Møller, E. R.; Krogh, L.; Holm, M. F.; Dynesen, E.; Larsen, F. K.; Hazell, R. G. Two structures involved in the separation of the enantiomeric pair of 2,2'-spirobi[indan]-1,1'-dione Acta Crystallographica Section C 49(6) (1993) 1104-1107

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$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/2/00/15/2001591.cif $ #-------------------------------------------------------------------...

2,001,592

18.551

0.002

6.495

0.001

9.448

0.001

90

null

96.521

0.009

90

null

1,131

0.2

null

3

P 1 21 1

P 2yb

4

- C27 H26 O5 -

- C54 H52 O10 -

2

1

AB1039

Iversen, B. B.; Møller, E. R.; Krogh, L.; Holm, M. F.; Dynesen, E.; Larsen, F. K.; Hazell, R. G.

Two structures involved in the separation of the enantiomeric pair of 2,2'-spirobi[indan]-1,1'-dione

Acta Crystallographica Section C

1,993

49

6

1104

1107

10.1107/S010827019300071X

0.71073

Mo

null

has coordinates

Iversen, B. B.; Møller, E. R.; Krogh, L.; Holm, M. F.; Dynesen, E.; Larsen, F. K.; Hazell, R. G. Two structures involved in the separation of the enantiomeric pair of 2,2'-spirobi[indan]-1,1'-dione Acta Crystallographica Section C 49(6) (1993) 1104-1107

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$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/2/00/15/2001592.cif $ #-------------------------------------------------------------------...

7,205,592

9.3986

0.001

33.587

0.004

10.0932

0.001

90

null

94.981

0.002

90

null

3,174.1

0.6

173

2

173

2

null

4

P 1 21 1

P 2yb

4

(R,R)-(-)-trans-2,3-bis(hydroxydiphenylmethyl)-1,4-dioxaspiro(4,5)decane NMA solvate

- C37 H41 N O5 -

- C148 H164 N4 O20 -

4

2

Báthori, Nikoletta B.; Nassimbeni, Luigi R.

Selectivity of amides by host‒guest inclusion

CrystEngComm

2,011

13

9

3156

10.1039/c0ce00362j

0.71073

MoKα

0.0813

0.0469

null

0.0924

0.104

null

1.133

null

has coordinates

Báthori, Nikoletta B.; Nassimbeni, Luigi R. Selectivity of amides by host‒guest inclusion CrystEngComm 13(9) (2011) 3156

180,386

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-26 17:17:52 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180386 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/55/7205592.cif $ #-------------------------------------------------------------------...

2,001,593

4.118

0.002

6.274

0.004

34.672

0.002

90

null

90.32

null

90

null

895.8

0.7

null

4

P 1 21/n 1

-P 2yn

14

- C9 H7 I O2 -

- C9 H6 I O2 -

- C36 H24 I4 O8 -

4

1

GR1002

Goud, B. S.; Pathaneni, S. S.; Desiraju, G. R.

Structure of 4-iodo-trans-cinnamic acid and a study of carboxyl group disorder

Acta Crystallographica Section C

1,993

49

6

1107

1111

10.1107/S0108270192011168

0.71069

Mo

null

has coordinates

Goud, B. S.; Pathaneni, S. S.; Desiraju, G. R. Structure of 4-iodo-trans-cinnamic acid and a study of carboxyl group disorder Acta Crystallographica Section C 49(6) (1993) 1107-1111

278,324

2022-10-03

14:41:53

#------------------------------------------------------------------------------ #$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/2/00/15/2001593.cif $ #-------------------------------------------------------------------...

2,001,594

14.508

0.008

6.095

0.004

9.532

0.005

90

null

97.93

0.04

90

null

834.8

0.8

null

6

P 1 21/c 1

-P 2ybc

null

- C4 H12 N O3 P S -

- C16 H48 N4 O12 P4 S4 -

4

1

HA0067

Sawka-Dobrowolska, W.; Matczak-Jon, E.; Dembkowski, L.

Structure of 1-amino-3-(methylthio)propylphosphonic acid

Acta Crystallographica Section C

1,993

49

6

1111

1113

10.1107/S0108270192003937

1.5418

Cu

null

has coordinates

Sawka-Dobrowolska, W.; Matczak-Jon, E.; Dembkowski, L. Structure of 1-amino-3-(methylthio)propylphosphonic acid Acta Crystallographica Section C 49(6) (1993) 1111-1113

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$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/2/00/15/2001594.cif $ #-------------------------------------------------------------------...

2,001,595

6.593

0.003

6.755

0.002

23.653

0.004

90

null

90

null

90

null

1,053.4

0.6

null

4

P 21 21 21

P 2ac 2ab

null

- C10 H16 N2 O2 -

- C40 H64 N8 O8 -

4

1

MU1011

Verbruggen, M.; Lenstra, A. T. H.; Reyniers, F.; Borremans, F.

(3R,6R)-3,4-Dimethyl-1,4-diazabicyclo[4.4.0]decane-2,5-dione

Acta Crystallographica Section C

1,993

49

6

1113

1116

10.1107/S010827019201059X

0.71073

Mo

null

has coordinates

Verbruggen, M.; Lenstra, A. T. H.; Reyniers, F.; Borremans, F. (3R,6R)-3,4-Dimethyl-1,4-diazabicyclo[4.4.0]decane-2,5-dione Acta Crystallographica Section C 49(6) (1993) 1113-1116

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$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/2/00/15/2001595.cif $ #-------------------------------------------------------------------...

2,001,596

16.9

0.02

16.9

0.02

33.31

0.03

90

null

90

null

90

null

9,514

18

null

5

I 41 c d

I 4bw -2c

110

- C51.5 H44 Cl2 Ir2 N4 -

- C55 H40 Cl2 Ir2 N4 -

- C440 H320 Cl16 Ir16 N32 -

8

0.5

CR1031

Garces, F. O.; Dedeian, K.; Keder, N. L.; Watts, R. J.

Structures of ortho-metalated [2-(p-tolyl)pyridine]iridium(III) complexes

Acta Crystallographica Section C

1,993

49

6

1117

1120

10.1107/S0108270193000836

0.71073

Mo

null

has coordinates

Garces, F. O.; Dedeian, K.; Keder, N. L.; Watts, R. J. Structures of ortho-metalated [2-(p-tolyl)pyridine]iridium(III) complexes Acta Crystallographica Section C 49(6) (1993) 1117-1120

205,964

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2018-01-31 16:47:42 +0200 (Wed, 31 Jan 2018) $ #$Revision: 205964 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/15/2001596.cif $ #-------------------------------------------------------------------...

7,205,591

9.3699

0.0014

32.679

0.005

10.0882

0.0015

90

null

93.835

0.004

90

null

3,082.1

0.8

173

2

173

2

null

4

P 1 21 1

P 2yb

4

(R,R)-(-)-trans-2,3-bis(hydroxydiphenylmethyl)-1,4- dioxaspiro(4,5)decane NMF solvate

(R,R)-(-)-trans-2,3-bis(hydroxydiphenylmethyl)-1,4-dioxaspiro(4,5)decane NMF solvate

- C36 H39 N O5 -

- C144 H156 N4 O20 -

4

2

Báthori, Nikoletta B.; Nassimbeni, Luigi R.

Selectivity of amides by host–guest inclusion

CrystEngComm

2,011

13

9

3156

10.1039/c0ce00362j

0.71073

MoKα

0.0603

0.0398

null

0.0785

0.0851

null

1.085

null

has coordinates,has disorder

Báthori, Nikoletta B.; Nassimbeni, Luigi R. Selectivity of amides by host–guest inclusion CrystEngComm 13(9) (2011) 3156

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/7/20/55/7205591.cif $ #-------------------------------------------------------------------...

2,001,597

15.0144

0.0007

15.0144

0.0007

25.829

0.001

90

null

90

null

120

null

5,042.6

0.4

null

4

R 3 :H

R 3

146

- C36 H30 Ir N3 -

- C18 H15 Ir0.5 N1.5 -

- C108 H90 Ir3 N9 -

6

0.666667

CR1031

Garces, F. O.; Dedeian, K.; Keder, N. L.; Watts, R. J.

Structures of ortho-metalated [2-(p-tolyl)pyridine]iridium(III) complexes

Acta Crystallographica Section C

1,993

49

6

1117

1120

10.1107/S0108270193000836

0.71073

Mo

null

has coordinates

Garces, F. O.; Dedeian, K.; Keder, N. L.; Watts, R. J. Structures of ortho-metalated [2-(p-tolyl)pyridine]iridium(III) complexes Acta Crystallographica Section C 49(6) (1993) 1117-1120

205,963

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2018-01-31 16:31:50 +0200 (Wed, 31 Jan 2018) $ #$Revision: 205963 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/15/2001597.cif $ #-------------------------------------------------------------------...

2,001,598

6.62

0.01

9.99

0.01

10.4

0.01

118.4

0.1

95.3

0.1

102.8

0.1

574.1

1.4

null

5

P -1

-P 1

2

- C24 H16 Cu2 N8 O4 -

1

0.5

MU1023

Kabešová, M.; Jorík, V.; Dunaj-Jurčo, M.

Structure of bis[(bipyridyl)dicyanatocopper(II)](Cu–Cu)

Acta Crystallographica Section C

1,993

49

6

1120

1121

10.1107/S0108270192012903

0.71073

Mo

null

has coordinates

Kabešová, M.; Jorík, V.; Dunaj-Jurčo, M. Structure of bis[(bipyridyl)dicyanatocopper(II)](Cu–Cu) Acta Crystallographica Section C 49(6) (1993) 1120-1121

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$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/2/00/15/2001598.cif $ #-------------------------------------------------------------------...

2,001,599

13.299

0.004

13.343

0.004

13.051

0.005

106.24

0.03

119.04

0.02

81.41

0.03

1,943.7

1.2

null

6

P -1

-P 1

2

- C84 H60 N2 Ni6 O12 P4 -

1

0.5

HH1042

Bachman, R. E.; Whitmire, K. H.

Bis[bis(triphenylphosphine)iminium] dodecacarbonylhexanickelate

Acta Crystallographica Section C

1,993

49

6

1121

1123

10.1107/S0108270193001830

0.71069

Mo

null

has coordinates

Bachman, R. E.; Whitmire, K. H. Bis[bis(triphenylphosphine)iminium] dodecacarbonylhexanickelate Acta Crystallographica Section C 49(6) (1993) 1121-1123

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/2/00/15/2001599.cif $ #-------------------------------------------------------------------...

2,001,600

9.1267

0.0012

11.955

0.001

8.783

0.001

93.08

0.01

117.7

0.01

85.49

0.01

845.69

0.18

null

4

P -1

-P 1

2

- C19 H22 O3 S -

- C38 H44 O6 S2 -

2

1

AS0585

Okada, K.; Koyama, H.

Structure of 17β-acetoxy-18-methyl-1-thia-A-norestra-3,9(10),11-trien-2-one

Acta Crystallographica Section C

1,993

49

6

1123

1125

10.1107/S0108270192011077

0.71073

Mo

null

has coordinates

Okada, K.; Koyama, H. Structure of 17β-acetoxy-18-methyl-1-thia-A-norestra-3,9(10),11-trien-2-one Acta Crystallographica Section C 49(6) (1993) 1123-1125

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$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/2/00/16/2001600.cif $ #-------------------------------------------------------------------...

2,001,601

17.615

0.001

15.4

0.002

13.786

0.002

90

null

90

null

90

null

3,739.7

0.8

null

5

P b c a

null

- C20 H25 Cl N2 O3 -

- C160 H200 Cl8 N16 O24 -

8

1

AS0505

Okamoto, K.; Fujii, S.; Tomita, K.

1-[3-(3,4-Methylenedioxyphenoxy)propyl]-4-phenylpiperazine monohydrochloride

Acta Crystallographica Section C

1,993

49

6

1125

1127

10.1107/S0108270193001763

1.54184

Cu

null

has coordinates

Okamoto, K.; Fujii, S.; Tomita, K. 1-[3-(3,4-Methylenedioxyphenoxy)propyl]-4-phenylpiperazine monohydrochloride Acta Crystallographica Section C 49(6) (1993) 1125-1127

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$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/2/00/16/2001601.cif $ #-------------------------------------------------------------------...

7,205,590

6.9358

0.0005

7.3424

0.0004

16.7449

0.0009

90.167

0.007

100.702

0.005

116.683

0.002

745.05

0.08

295

null

295

null

4

P -1

-P 1

2

cinnamic acid 3-nitrobenzamide co-crystal

- C16 H14 N2 O5 -

- C32 H28 N4 O10 -

2

1

Urbanus, Johan; Roelands, C. P. Mark; Mazurek, Jaroslaw; Verdoes, Dirk; ter Horst, Joop H.

Electrochemically induced co-crystallization for product removal

CrystEngComm

2,011

13

8

2817

10.1039/c0ce00284d

powder diffraction

1.54056

CuKα~1~

null

3.202

null

has coordinates

Urbanus, Johan; Roelands, C. P. Mark; Mazurek, Jaroslaw; Verdoes, Dirk; ter Horst, Joop H. Electrochemically induced co-crystallization for product removal CrystEngComm 13(8) (2011) 2817

180,386

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-26 17:17:52 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180386 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/55/7205590.cif $ #-------------------------------------------------------------------...

2,001,602

18.479

0.002

9.294

0.001

18.126

0.002

90

null

99.41

0.01

90

null

3,071.1

0.6

null

3

C 1 2/c 1

-C 2yc

null

- C31 H48 S2 -

- C124 H192 S8 -

4

0.5

SH1011

Hiller, W.; Rundel, W.

Structure of 2,2-bis(3,5-di-tert-butylphenyl)propane-2',2''-dithiol

Acta Crystallographica Section C

1,993

49

6

1127

1128

10.1107/S0108270193001088

1.54184

Cu

null

has coordinates

Hiller, W.; Rundel, W. Structure of 2,2-bis(3,5-di-tert-butylphenyl)propane-2',2''-dithiol Acta Crystallographica Section C 49(6) (1993) 1127-1128

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$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/2/00/16/2001602.cif $ #-------------------------------------------------------------------...

2,001,603

10.599

0.002

6.861

0.001

11.889

0.004

90

null

100.6

0.2

90

null

849.8

0.7

null

5

P 1 21/a 1

-P 2yab

null

- C5 H6 O2 S3 Se -

- C20 H24 O8 S12 Se4 -

4

1

NA1018

Molins, E.; Veciana, J.; Miravitlles, C.

Structure of 2-selenoxoperhydro-2H-thieno[3,4-d][1,3]dithiole 5,5-dioxide

Acta Crystallographica Section C

1,993

49

6

1129

1130

10.1107/S0108270193001799

0.71069

Mo

null

has coordinates

Molins, E.; Veciana, J.; Miravitlles, C. Structure of 2-selenoxoperhydro-2H-thieno[3,4-d][1,3]dithiole 5,5-dioxide Acta Crystallographica Section C 49(6) (1993) 1129-1130

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$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/2/00/16/2001603.cif $ #-------------------------------------------------------------------...

2,001,604

11.631

0.007

9.929

0.002

8.99

0.002

90

null

97.63

0.04

90

null

1,029

0.7

298

null

298

null

4

P 1 21/c 1

-P 2ybc

14

distrontium nickel orthophosphate

- Ni O8 P2 Sr2 -

- Ni6 O48 P12 Sr12 -

6

1.5

HH1013

Elbali, B.; Boukhari, A.; Holt, E. M.; Aride, J.

Distrontium nickel orthophosphate

Acta Crystallographica Section C

1,993

49

6

1131

1133

10.1107/S0108270192012599

0.71069

MoKα

null

0.062

null

0.084

null

0.42

null

has coordinates

Elbali, B.; Boukhari, A.; Holt, E. M.; Aride, J. Distrontium nickel orthophosphate Acta Crystallographica Section C 49(6) (1993) 1131-1133

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/2/00/16/2001604.cif $ #-------------------------------------------------------------------...

2,001,605

9.118

0.001

9.118

0.001

3.3035

0.0009

90

null

90

null

120

null

237.85

0.07

295

null

2

P 63/m

-P 6c

null

- S4 V3 -

- S8 V6 -

2

0.166667

SH1019

Bensch, W.; Koy, J.

Structure of hexagonal V~3~S~4~ determined at three different temperatures

Acta Crystallographica Section C

1,993

49

6

1133

1135

10.1107/S0108270192012368

0.71073

MoKα

null

0.028

null

0.0233

null

1.2

null

has coordinates

Bensch, W.; Koy, J. Structure of hexagonal V~3~S~4~ determined at three different temperatures Acta Crystallographica Section C 49(6) (1993) 1133-1135

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/2/00/16/2001605.cif $ #-------------------------------------------------------------------...

2,001,606

9.104

0.002

9.104

0.002

3.2973

0.0008

90

null

90

null

120

null

236.68

0.09

170

null

2

P 63/m

-P 6c

null

- S4 V3 -

- S8 V6 -

2

0.166667

SH1019

Bensch, W.; Koy, J.

Structure of hexagonal V~3~S~4~ determined at three different temperatures

Acta Crystallographica Section C

1,993

49

6

1133

1135

10.1107/S0108270192012368

0.71073

MoKα

null

0.0294

null

0.0237

null

1.19

null

has coordinates

Bensch, W.; Koy, J. Structure of hexagonal V~3~S~4~ determined at three different temperatures Acta Crystallographica Section C 49(6) (1993) 1133-1135

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/2/00/16/2001606.cif $ #-------------------------------------------------------------------...

2,001,607

9.099

0.001

9.099

0.001

3.297

0.0008

90

null

90

null

120

null

236.39

0.07

100

null

2

P 63/m

-P 6c

null

- S4 V3 -

- S8 V6 -

2

0.166667

SH1019

Bensch, W.; Koy, J.

Structure of hexagonal V~3~S~4~ determined at three different temperatures

Acta Crystallographica Section C

1,993

49

6

1133

1135

10.1107/S0108270192012368

0.71073

MoKα

null

0.0298

null

0.0213

null

1.21

null

has coordinates

Bensch, W.; Koy, J. Structure of hexagonal V~3~S~4~ determined at three different temperatures Acta Crystallographica Section C 49(6) (1993) 1133-1135

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/2/00/16/2001607.cif $ #-------------------------------------------------------------------...

7,205,589

12.5672

0.0016

8.3029

0.001

8.2837

0.0011

90

null

94.708

0.003

90

null

861.44

0.19

100

2

100

2

null

4

P 1 21/c 1

-P 2ybc

14

- C20 H22 N2 O4 -

- C40 H44 N4 O8 -

2

0.5

Kole, Goutam Kumar; Tan, Geok Kheng; Vittal, Jagadese J.

Crystal engineering studies on the salts of trans-4,4′-stilbenedicarboxylic acid in the context of solid state [2 + 2] cycloaddition reaction

CrystEngComm

2,011

13

9

3138

10.1039/c0ce00224k

0.71073

MoKα

0.0529

0.0491

null

0.1222

0.1244

null

1.13

null

has coordinates

Kole, Goutam Kumar; Tan, Geok Kheng; Vittal, Jagadese J. Crystal engineering studies on the salts of trans-4,4′-stilbenedicarboxylic acid in the context of solid state [2 + 2] cycloaddition reaction CrystEngComm 13(9) (2011) 3138

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/7/20/55/7205589.cif $ #-------------------------------------------------------------------...

2,001,608

21.957

0.005

6.147

0.003

19.925

0.004

90

null

122.4

0.01

90

null

2,270.6

1.3

296

null

3

C 1 2/c 1

-C 2yc

null

- I Nb4 Te12 -

- I4 Nb16 Te48 -

4

0.5

AB1041

Deng, S.; Zhuang, H.; Lu, C.; Huang, Jinshun; Huang, Jingling

A new type of one-dimensional compound: structure of Nb~4~(Te~2~)~4~Te~4~I

Acta Crystallographica Section C

1,993

49

6

1135

1137

10.1107/S010827019201285X

0.71073

Mo

null

0.052

null

0.062

null

1.26

null

has coordinates

Deng, S.; Zhuang, H.; Lu, C.; Huang, Jinshun; Huang, Jingling A new type of one-dimensional compound: structure of Nb~4~(Te~2~)~4~Te~4~I Acta Crystallographica Section C 49(6) (1993) 1135-1137

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/2/00/16/2001608.cif $ #-------------------------------------------------------------------...

2,001,609

9.914

0.003

30.95

0.01

18.145

0.005

90

null

95.2139

0.0004

90

null

5,545

3

298

null

3

P 1 21/c 1

-P 2ybc

null

- C34 H36 Th -

- C272 H288 Th8 -

8

2

MU1017

Spirlet, M. R.; Rebizant, J.; Bettonville, S.; Goffart, J.

Tris[(1,2,3-η)-1-ethylindenyl]methylthorium(IV)

Acta Crystallographica Section C

1,993

49

6

1138

1140

10.1107/S0108270192012897

0.71069

MoKα

null

0.053

null

0.068

null

1.595

null

has coordinates

Spirlet, M. R.; Rebizant, J.; Bettonville, S.; Goffart, J. Tris[(1,2,3-η)-1-ethylindenyl]methylthorium(IV) Acta Crystallographica Section C 49(6) (1993) 1138-1140

189,071

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-12-12 11:50:51 +0200 (Mon, 12 Dec 2016) $ #$Revision: 189071 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/16/2001609.cif $ #-------------------------------------------------------------------...

2,001,610

9.025

0.004

10.093

0.004

11.987

0.006

110.6

0.03

94.22

0.04

103.47

0.03

979.3

0.8

197

null

296

null

5

P -1

-P 1

2

catena-Poly[(chlorocopper)‒bis-μ-{1,2-bis(dimethylphosphino)ethane-P:P'}- (chlorocopper)-μ-{1,2-bis(dimethylphosphino)ethane-P:P'}] bis(dichloromethane) solvate

- C20 H52 Cl6 Cu2 P6 -

1

0.5

ST1042

Reibenspies, J. H.; Darensbourg, D. J.; Longridge, E. M.

Structure of [Cu~2~(dmpe)~3~Cl~2~]~n~.2CH~2~Cl~2~

Acta Crystallographica Section C

1,993

49

6

1140

1142

10.1107/S0108270192013015

0.71073

MoKα

0.1114

0.0614

null

0.0789

0.0662

null

1.9137

null

has coordinates

Reibenspies, J. H.; Darensbourg, D. J.; Longridge, E. M. Structure of [Cu~2~(dmpe)~3~Cl~2~]~n~.2CH~2~Cl~2~ Acta Crystallographica Section C 49(6) (1993) 1140-1142

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/2/00/16/2001610.cif $ #-------------------------------------------------------------------...

2,001,611

8.971

0.001

22.501

0.003

17.191

0.003

90

null

102.97

null

90

null

3,381.6

0.8

293

null

7

P 1 21/c 1

-P 2ybc

null

- C30 H15 Au O12 P Rh3 Ru -

- C120 H60 Au4 O48 P4 Rh12 Ru4 -

4

1

AB1029

Pursiainen, J.; Pakkanen, T. A.; Ahlgrén, M.; Valkonen, J.

Structures of the monoclinic form of Ph~3~PAuRuRh~3~(CO)~12~ (I) and its cubic form with Ru~3~(CO)~12~ (II)

Acta Crystallographica Section C

1,993

49

6

1142

1146

10.1107/S0108270192012575

0.71073

MoKα

null

0.027

null

0.027

null

has coordinates

Pursiainen, J.; Pakkanen, T. A.; Ahlgrén, M.; Valkonen, J. Structures of the monoclinic form of Ph~3~PAuRuRh~3~(CO)~12~ (I) and its cubic form with Ru~3~(CO)~12~ (II) Acta Crystallographica Section C 49(6) (1993) 1142-1146

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/2/00/16/2001611.cif $ #-------------------------------------------------------------------...

2,001,612

20.647

0.003

20.647

0.003

20.647

0.003

90

null

90

null

90

null

8,802

2

293

null

7

P a -3

-P 2ac 2ab 3

205

- C36 H15 Au O18 P Rh3 Ru3 -

- C36 H15 Au O18 P Rh3 Ru2.5 -

- C288 H120 Au8 O144 P8 Rh24 Ru20 -

8

0.333333

AB1029

Pursiainen, J.; Pakkanen, T. A.; Ahlgrén, M.; Valkonen, J.

Structures of the monoclinic form of Ph~3~PAuRuRh~3~(CO)~12~ (I) and its cubic form with Ru~3~(CO)~12~ (II)

Acta Crystallographica Section C

1,993

49

6

1142

1146

10.1107/S0108270192012575

0.71073

MoKα

null

0.033

null

0.033

null

has coordinates

Pursiainen, J.; Pakkanen, T. A.; Ahlgrén, M.; Valkonen, J. Structures of the monoclinic form of Ph~3~PAuRuRh~3~(CO)~12~ (I) and its cubic form with Ru~3~(CO)~12~ (II) Acta Crystallographica Section C 49(6) (1993) 1142-1146

206,079

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2018-02-02 16:00:50 +0200 (Fri, 02 Feb 2018) $ #$Revision: 206079 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/16/2001612.cif $ #-------------------------------------------------------------------...

7,205,588

8.5009

0.0006

10.6106

0.0007

13.78

0.0009

90

null

101.651

0.001

90

null

1,217.34

0.14

223

2

223

2

null

4

P 1 21/n 1

-P 2yn

14

- C26 H30 N4 O6 -

- C52 H60 N8 O12 -

2

0.5

Kole, Goutam Kumar; Tan, Geok Kheng; Vittal, Jagadese J.

Crystal engineering studies on the salts of trans-4,4′-stilbenedicarboxylic acid in the context of solid state [2 + 2] cycloaddition reaction

CrystEngComm

2,011

13

9

3138

10.1039/c0ce00224k

0.71073

MoKα

0.061

0.0547

null

0.1652

0.1709

null

1.04

null

has coordinates,has disorder

Kole, Goutam Kumar; Tan, Geok Kheng; Vittal, Jagadese J. Crystal engineering studies on the salts of trans-4,4′-stilbenedicarboxylic acid in the context of solid state [2 + 2] cycloaddition reaction CrystEngComm 13(9) (2011) 3138

180,386

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-26 17:17:52 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180386 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/55/7205588.cif $ #-------------------------------------------------------------------...

2,001,613

12.158

0.002

12.689

0.002

13.822

0.001

86.67

0.01

65.15

0.01

78.65

0.01

1,896.4

0.5

295

null

6

P -1

-P 1

2

- C38 H34 Cl3 O6 P2 Rh -

- C76 H68 Cl6 O12 P4 Rh2 -

2

1

HU1027

Cross, R. J.; Kennedy, A. R.; Manojlović-Muir, L.; Muir, K. W.

Structure of trans-[Rh(PPh~3~)~2~(CO)(OH~2~)][ClO~4~].CH~2~Cl~2~

Acta Crystallographica Section C

1,993

49

6

1146

1148

10.1107/S0108270192012666

0.71069

MoKα

null

0.0481

null

0.0617

null

2.91

null

has coordinates

Cross, R. J.; Kennedy, A. R.; Manojlović-Muir, L.; Muir, K. W. Structure of trans-[Rh(PPh~3~)~2~(CO)(OH~2~)][ClO~4~].CH~2~Cl~2~ Acta Crystallographica Section C 49(6) (1993) 1146-1148

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/2/00/16/2001613.cif $ #-------------------------------------------------------------------...

2,001,614

14.904

0.005

23.169

0.007

9.262

0.003

90

null

90

null

90

null

3,198.3

1.8

178

null

6

P 1 1 2

P 2

3

- C72 H60 Ag2 N2 O6 P4 -

- C36 H30 Ag N O3 P2 -

- C72 H60 Ag2 N2 O6 P4 -

2

1

HA1025

Jones, P. G.

Di-μ-nitrato-bis[bis(triphenylphosphine)silver(I)], [(Ph~3~P)~2~AgNO~3~]~2~, at 178 K

Acta Crystallographica Section C

1,993

49

6

1148

1150

10.1107/S0108270192012484

0.71069

MoKα

null

0.04

null

0.035

null

1.1

null

has coordinates

Jones, P. G. Di-μ-nitrato-bis[bis(triphenylphosphine)silver(I)], [(Ph~3~P)~2~AgNO~3~]~2~, at 178 K Acta Crystallographica Section C 49(6) (1993) 1148-1150

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/2/00/16/2001614.cif $ #-------------------------------------------------------------------...

2,001,615

7.2425

0.0006

8.676

0.001

10.592

0.001

90

null

90

null

90

null

665.56

0.11

297

null

4

P 21 21 21

P 2ac 2ab

null

- C4 H7 Na O7 -

- C16 H28 Na4 O28 -

4

1

HL1015

Bott, R. C.; Sagatys, D. S.; Lynch, D. E.; Smith, G.; Kennard, C. H. L.

Structure of sodium hydrogen (+)-tartrate monohydrate

Acta Crystallographica Section C

1,993

49

6

1150

1152

10.1107/S0108270192012605

0.71073

MoKα

null

0.021

null

0.024

null

0.94

null

has coordinates

Bott, R. C.; Sagatys, D. S.; Lynch, D. E.; Smith, G.; Kennard, C. H. L. Structure of sodium hydrogen (+)-tartrate monohydrate Acta Crystallographica Section C 49(6) (1993) 1150-1152

213,984

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2019-03-05 17:56:10 +0200 (Tue, 05 Mar 2019) $ #$Revision: 213984 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/16/2001615.cif $ #-------------------------------------------------------------------...

2,001,616

14.953

0.001

12.428

0.001

14.228

0.001

90

null

91.778

0.007

90

null

2,642.8

0.3

298

null

6

C 1 2/c 1

-C 2yc

null

- C22 H28 Cl2 N4 O8 Pt -

- C88 H112 Cl8 N16 O32 Pt4 -

4

0.5

ST1033

Sommerer, S. O.; Abboud, K. A.

Structure of di-2-pyridyl ketone-hydrate platinum(II) chloride tetrahydrate

Acta Crystallographica Section C

1,993

49

6

1152

1154

10.1107/S0108270192012496

0.71073

MoKα

null

0.035

null

0.033

null

1.37

null

has coordinates

Sommerer, S. O.; Abboud, K. A. Structure of di-2-pyridyl ketone-hydrate platinum(II) chloride tetrahydrate Acta Crystallographica Section C 49(6) (1993) 1152-1154

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$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/2/00/16/2001616.cif $ #-------------------------------------------------------------------...

7,205,587

11.6939

0.0008

10.6964

0.0007

8.8496

0.0006

90

null

93.17

0.002

90

null

1,105.24

0.13

223

2

223

2

null

4

P 1 21/c 1

-P 2ybc

14

- C9 H15 N3 O4 -

- C36 H60 N12 O16 -

4

1

Kole, Goutam Kumar; Tan, Geok Kheng; Vittal, Jagadese J.

Crystal engineering studies on the salts of trans-4,4′-stilbenedicarboxylic acid in the context of solid state [2 + 2] cycloaddition reaction

CrystEngComm

2,011

13

9

3138

10.1039/c0ce00224k

0.71073

MoKα

0.052

0.0482

null

0.126

0.1294

null

1.056

null

has coordinates

Kole, Goutam Kumar; Tan, Geok Kheng; Vittal, Jagadese J. Crystal engineering studies on the salts of trans-4,4′-stilbenedicarboxylic acid in the context of solid state [2 + 2] cycloaddition reaction CrystEngComm 13(9) (2011) 3138

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/7/20/55/7205587.cif $ #-------------------------------------------------------------------...

2,001,617

9.17

0.002

4.83

0.001

22.584

0.009

90

null

90.74

0.02

90

null

1,000.2

0.5

296

null

4

C 1 2/c 1

-C 2yc

15

- C6 H10 Ge2 O7 -

- C24 H40 Ge8 O28 -

4

0.5

AS1022

Xie, Z.-X.; Hu, S.-Z.; Chen, Z.-H.; Li, S.-A.; Shi, W.-P.

Redetermination of the structure of polymeric carboxyethylgermanium sesquioxide

Acta Crystallographica Section C

1,993

49

6

1154

1156

10.1107/S0108270192012435

0.71073

MoKα

null

0.0513

null

0.0606

null

5.542

null

has coordinates

Xie, Z.-X.; Hu, S.-Z.; Chen, Z.-H.; Li, S.-A.; Shi, W.-P. Redetermination of the structure of polymeric carboxyethylgermanium sesquioxide Acta Crystallographica Section C 49(6) (1993) 1154-1156

198,852

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-07-20 16:42:55 +0300 (Thu, 20 Jul 2017) $ #$Revision: 198852 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/16/2001617.cif $ #-------------------------------------------------------------------...

2,001,618

16.24

0.002

7.272

0.001

7.987

0.002

90

null

116.44

0.01

90

null

844.6

0.3

296

null

6

C 1 2 1

C 2y

null

- C3 H7 Cd Cl2 N O2 -

- C3 Cd Cl2 N O2 -

- C12 Cd4 Cl8 N4 O8 -

4

1

ST1025

Schaffers, K. I.; Keszler, D. A.

Structure of CdCl~2~.C~3~H~7~NO~2~

Acta Crystallographica Section C

1,993

49

6

1156

1158

10.1107/S0108270192011570

0.71069

MoKα

null

0.063

null

0.088

null

1.95

null

has coordinates

Schaffers, K. I.; Keszler, D. A. Structure of CdCl~2~.C~3~H~7~NO~2~ Acta Crystallographica Section C 49(6) (1993) 1156-1158

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/2/00/16/2001618.cif $ #-------------------------------------------------------------------...

2,001,619

13.63

0.006

11.775

0.002

16.316

0.008

90

null

108.26

0.03

90

null

2,486.7

1.7

295

null

6

P 1 21/c 1

-P 2ybc

null

- C44 H54 Cl5 Mn N8 O9 -

- C44 H36 Cl6 Mn N8 O8 -

- C88 H72 Cl12 Mn2 N16 O16 -

2

0.5

HE1001

Prince, S.; Körber, F.; Cooke, P. R.; Lindsay Smith, J. R.; Mazid, M. A.

Structure of monomeric hydrated manganese(III) tetra(4-N-methylpyridyl)porphyrin pentachloride

Acta Crystallographica Section C

1,993

49

6

1158

1160

10.1107/S0108270193000447

0.71069

MoKα

null

0.047

null

0.053

null

has coordinates

Prince, S.; Körber, F.; Cooke, P. R.; Lindsay Smith, J. R.; Mazid, M. A. Structure of monomeric hydrated manganese(III) tetra(4-N-methylpyridyl)porphyrin pentachloride Acta Crystallographica Section C 49(6) (1993) 1158-1160

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/2/00/16/2001619.cif $ #-------------------------------------------------------------------...

2,001,620

11.624

0.001

17.244

0.002

18.877

0.001

79.884

0.008

84.812

0.006

75.398

0.009

3,600.4

0.6

130

null

130

null

5

P -1

-P 1

2

(2,4-Pentanedionato-O,O')bis(phenyl 3,3',5,5'-tetra-tert-butyl-1,1'-biphenyl-2,2'-diyl phosphite-P)rhodium

- C87 H113 O8 P2 Rh -

- C80 H105 O8 P2 Rh -

- C160 H210 O16 P4 Rh2 -

2

1

AB1032

Meetsma, A.; Jongsma, T.; Challa, G.; van Leeuwen, P. W. N. M.

Structure of (2,4-pentanedionato-O,O')bis(phenyl 3,3',5,5'-tetra-tert-butyl-1,1'-biphenyl-2,2'-diyl phosphite-P)rhodium

Acta Crystallographica Section C

1,993

49

6

1160

1163

10.1107/S0108270192013246

0.71073

MoKα

null

0.042

null

0.046

null

1.842

null

has coordinates

Meetsma, A.; Jongsma, T.; Challa, G.; van Leeuwen, P. W. N. M. Structure of (2,4-pentanedionato-O,O')bis(phenyl 3,3',5,5'-tetra-tert-butyl-1,1'-biphenyl-2,2'-diyl phosphite-P)rhodium Acta Crystallographica Section C 49(6) (1993) 1160-1163

191,977

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-02-10 18:21:58 +0200 (Fri, 10 Feb 2017) $ #$Revision: 191977 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/16/2001620.cif $ #-------------------------------------------------------------------...

7,205,586

8.9392

0.0004

10.5683

0.0005

12.361

0.0006

71.167

0.001

75.904

0.001

67.648

0.001

1,012.43

0.08

100

2

100

2

null

5

P -1

-P 1

2

- C20 H24 N2 O4 S2 -

- C40 H48 N4 O8 S4 -

2

1

Kole, Goutam Kumar; Tan, Geok Kheng; Vittal, Jagadese J.

Crystal engineering studies on the salts of trans-4,4′-stilbenedicarboxylic acid in the context of solid state [2 + 2] cycloaddition reaction

CrystEngComm

2,011

13

9

3138

10.1039/c0ce00224k

0.71073

MoKα

0.0332

0.032

null

0.0866

0.0877

null

1.035

null

has coordinates

Kole, Goutam Kumar; Tan, Geok Kheng; Vittal, Jagadese J. Crystal engineering studies on the salts of trans-4,4′-stilbenedicarboxylic acid in the context of solid state [2 + 2] cycloaddition reaction CrystEngComm 13(9) (2011) 3138

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/7/20/55/7205586.cif $ #-------------------------------------------------------------------...

2,001,621

8.552

0.001

8.552

0.001

17.064

0.002

90

null

90

null

120

null

1,080.8

0.2

293

null

293

null

7

P 63 2 2

null

Cobalt(III)sepulchrate perchlorate thiosulphate

(1,3,6,8,10,13,16,19-octaazabicyclo[6.6.6]eicosane)cobalt(III)perchlorate thiosulphate

- C12 H30 Cl Co N8 O7 S2 -

- C12 H30 Cl Co N8 O14 S3 -

- C24 H60 Cl2 Co2 N16 O28 S6 -

2

0.166667

AL1026

Bacchi, A.; Ferranti, F.; Pelizzi, G.

Structures of two cobalt(III) sepulchrate complexes

Acta Crystallographica Section C

1,993

49

6

1163

1169

10.1107/S0108270192012265

0.7107

MoKα

null

0.0897

null

0.0968

null

2.49

null

has coordinates

Bacchi, A.; Ferranti, F.; Pelizzi, G. Structures of two cobalt(III) sepulchrate complexes Acta Crystallographica Section C 49(6) (1993) 1163-1169

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/2/00/16/2001621.cif $ #-------------------------------------------------------------------...

2,001,622

15.143

0.003

18.277

0.004

15.191

0.003

90

null

109.55

0.02

90

null

3,962

1.5

293

null

293

null

6

P 1 21/a 1

-P 2yab

14

Racemic Cobalt(III)sepulchrate trichloride monohydrate

(1,3,6,8,10,13,16,19-octaazabicyclo[6.6.6]eicosane)cobalt(III)trichloride monohydrate

- C12 H32 Cl3 Co N8 O -

- C96 H256 Cl24 Co8 N64 O8 -

8

2

AL1026

Bacchi, A.; Ferranti, F.; Pelizzi, G.

Structures of two cobalt(III) sepulchrate complexes

Acta Crystallographica Section C

1,993

49

6

1163

1169

10.1107/S0108270192012265

0.7107

MoKα

null

0.0405

null

0.0416

null

2.55

null

has coordinates

Bacchi, A.; Ferranti, F.; Pelizzi, G. Structures of two cobalt(III) sepulchrate complexes Acta Crystallographica Section C 49(6) (1993) 1163-1169

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$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/2/00/16/2001622.cif $ #-------------------------------------------------------------------...

2,001,623

18.414

0.002

16.938

0.002

22.577

0.002

90

null

96.966

0.007

90

null

6,989.7

1.3

291

null

8

C 1 2/c 1

-C 2yc

null

- C75 H70 B2 Cl2 F8 O3 P4 Pd2 -

- C75 H68 B2 Cl2 F8 O3 P4 Pd2 -

- C300 H272 B8 Cl8 F32 O12 P16 Pd8 -

4

0.5

AB1035

Ganguly, S.; Georgiev, E. M.; Mague, J. T.; Roundhill, D. M.

Structure of di-μ-chloro-bis[bis(triphenylphosphine)palladium(II)] bis(tetrafluoroborate) acetone solvate dihydrate

Acta Crystallographica Section C

1,993

49

6

1169

1171

10.1107/S0108270192011855

0.71073

MoKα

null

0.067

null

0.081

null

1.452

null

has coordinates

Ganguly, S.; Georgiev, E. M.; Mague, J. T.; Roundhill, D. M. Structure of di-μ-chloro-bis[bis(triphenylphosphine)palladium(II)] bis(tetrafluoroborate) acetone solvate dihydrate Acta Crystallographica Section C 49(6) (1993) 1169-1171

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/2/00/16/2001623.cif $ #-------------------------------------------------------------------...

2,001,624

8.909

0.002

19.847

0.004

7.602

0.002

90

null

90.51

0.04

90

null

1,344.1

0.5

294

null

6

P 1 21 1

P 2yb

4

- C3 H17 Cl3 Ho N O8 -

- C12 H68 Cl12 Ho4 N4 O32 -

4

2

SH1017

Głowiak, T.; Dao, C. N.

Structure of pentaaqua(L-serine)holmium(III) trichloride

Acta Crystallographica Section C

1,993

49

6

1171

1173

10.1107/S0108270192012514

0.71069

MoKα

null

0.037

null

0.05

null

4.171

null

has coordinates

Głowiak, T.; Dao, C. N. Structure of pentaaqua(L-serine)holmium(III) trichloride Acta Crystallographica Section C 49(6) (1993) 1171-1173

205,896

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2018-01-30 15:25:41 +0200 (Tue, 30 Jan 2018) $ #$Revision: 205896 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/16/2001624.cif $ #-------------------------------------------------------------------...

2,001,625

8.402

0.004

14.28

0.01

7.498

0.004

90

null

90

null

90

null

899.6

0.9

150

null

6

P n a 21

P 2c -2n

null

- C3 H10 Cd Cl2 O2 S -

- C12 H40 Cd4 Cl8 O8 S4 -

4

1

MU1030

Nieuwenhuyzen, M.; Robinson, W. T.; Wilkins, C. J.

Structures of the cadmium halide complexes [{CdCl~2~(dmso)(MeOH)}~n~] and [{CdBr~2~(dmso)(MeOH)}~n~] with coordinated dimethyl sulfoxide and methanol

Acta Crystallographica Section C

1,993

49

6

1173

1175

10.1107/S0108270192012150

0.71073

MoKα

null

0.0268

null

0.0336

null

0.97

null

has coordinates

Nieuwenhuyzen, M.; Robinson, W. T.; Wilkins, C. J. Structures of the cadmium halide complexes [{CdCl~2~(dmso)(MeOH)}~n~] and [{CdBr~2~(dmso)(MeOH)}~n~] with coordinated dimethyl sulfoxide and methanol Acta Crystallographica Section C 49(6) (1993) 1173-1175

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/2/00/16/2001625.cif $ #-------------------------------------------------------------------...

7,205,585

7.4542

0.0013

9.707

0.0016

13.61

0.002

100.688

0.002

96.117

0.003

90.07

0.003

962

0.3

223

2

223

2

null

4

P -1

-P 1

2

- C20 H28 N2 O6 -

- C40 H56 N4 O12 -

2

1

Kole, Goutam Kumar; Tan, Geok Kheng; Vittal, Jagadese J.

Crystal engineering studies on the salts of trans-4,4′-stilbenedicarboxylic acid in the context of solid state [2 + 2] cycloaddition reaction

CrystEngComm

2,011

13

9

3138

10.1039/c0ce00224k

0.71073

MoKα

0.0745

0.0629

null

0.1722

0.179

null

1.097

null

has coordinates

Kole, Goutam Kumar; Tan, Geok Kheng; Vittal, Jagadese J. Crystal engineering studies on the salts of trans-4,4′-stilbenedicarboxylic acid in the context of solid state [2 + 2] cycloaddition reaction CrystEngComm 13(9) (2011) 3138

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/7/20/55/7205585.cif $ #-------------------------------------------------------------------...

2,001,626

14.52

0.006

10.692

0.004

14.124

0.005

90

null

121.38

0.02

90

null

1,872

1.3

170

null

6

C 1 2/c 1

-C 2yc

null

- C3 H10 Br2 Cd O2 S -

- C3 H9 Br2 Cd O2 S -

- C24 H72 Br16 Cd8 O16 S8 -

8

1

MU1030

Nieuwenhuyzen, M.; Robinson, W. T.; Wilkins, C. J.

Structures of the cadmium halide complexes [{CdCl~2~(dmso)(MeOH)}~n~] and [{CdBr~2~(dmso)(MeOH)}~n~] with coordinated dimethyl sulfoxide and methanol

Acta Crystallographica Section C

1,993

49

6

1173

1175

10.1107/S0108270192012150

0.71073

MoKα

null

0.0563

null

0.0727

null

1.83

null

has coordinates

Nieuwenhuyzen, M.; Robinson, W. T.; Wilkins, C. J. Structures of the cadmium halide complexes [{CdCl~2~(dmso)(MeOH)}~n~] and [{CdBr~2~(dmso)(MeOH)}~n~] with coordinated dimethyl sulfoxide and methanol Acta Crystallographica Section C 49(6) (1993) 1173-1175

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/2/00/16/2001626.cif $ #-------------------------------------------------------------------...

2,001,627

11.771

0.001

20.353

0.003

14.704

0.002

90

null

109.719

0.008

90

null

3,316.1

0.7

296

null

5

P 1 21/n 1

-P 2yn

14

- C27 H49 Cl4 P2 Pt -

- C27 H48 Cl8 P2 Pt -

- C108 H192 Cl32 P8 Pt4 -

4

1

BR1017

Mague, J. T.; Fink, M. J.; Recatto, C. A.

Structure of cis-[1,2-bis(dicyclohexylphosphino)ethane-P,P']dichloroplatinum(II) chloroform solvate

Acta Crystallographica Section C

1,993

49

6

1176

1178

10.1107/S0108270192011697

0.71073

MoKα

null

0.035

null

0.045

null

1.394

null

has coordinates

Mague, J. T.; Fink, M. J.; Recatto, C. A. Structure of cis-[1,2-bis(dicyclohexylphosphino)ethane-P,P']dichloroplatinum(II) chloroform solvate Acta Crystallographica Section C 49(6) (1993) 1176-1178

278,324

2022-10-03

14:41:53

#------------------------------------------------------------------------------ #$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/2/00/16/2001627.cif $ #-------------------------------------------------------------------...

2,001,628

8.029

0.001

23.091

0.005

20.11

0.005

90

null

90

null

90

null

3,728.3

1.3

295

null

5

P b c a

-P 2ac 2ab

null

- C14 H18 N6 O S3 -

- C112 H144 N48 O8 S24 -

8

1

OH1007

Hu, N.-H.; Zhang, S.-L.

Interactions of thiamine with anions. Structure of thiamine dithiocyanate

Acta Crystallographica Section C

1,993

49

6

1178

1180

10.1107/S0108270192012630

0.71069

MoKα

null

0.052

null

0.047

null

1.91

null

has coordinates

Hu, N.-H.; Zhang, S.-L. Interactions of thiamine with anions. Structure of thiamine dithiocyanate Acta Crystallographica Section C 49(6) (1993) 1178-1180

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$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/2/00/16/2001628.cif $ #-------------------------------------------------------------------...

2,001,629

11.941

0.001

18.423

0.002

8.791

0.001

90

null

90.49

0.02

90

null

1,933.9

0.3

294

null

4

P 1 21/c 1

-P 2ybc

null

- C22 H27 F O -

- C88 H108 F4 O4 -

4

1

HA1029

Ravikumar, K.

Non-steroidal anti-inflammatory drugs. II. Structure of (E)-2,6-di-tert-butyl-4-[2-(4-fluorophenyl)ethenyl]phenol

Acta Crystallographica Section C

1,993

49

6

1180

1182

10.1107/S0108270192013076

0.71063

MoKα

null

0.047

null

0.049

null

1.02

null

has coordinates

Ravikumar, K. Non-steroidal anti-inflammatory drugs. II. Structure of (E)-2,6-di-tert-butyl-4-[2-(4-fluorophenyl)ethenyl]phenol Acta Crystallographica Section C 49(6) (1993) 1180-1182

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$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/2/00/16/2001629.cif $ #-------------------------------------------------------------------...

7,205,584

10.156

0.002

9.334

0.002

8.385

0.002

90

null

94.4

0.005

90

null

792.5

0.3

100

2

100

2

null

4

P 1 21/c 1

-P 2ybc

14

- C18 H20 N2 O4 -

- C36 H40 N4 O8 -

2

0.5

Kole, Goutam Kumar; Tan, Geok Kheng; Vittal, Jagadese J.

Crystal engineering studies on the salts of trans-4,4′-stilbenedicarboxylic acid in the context of solid state [2 + 2] cycloaddition reaction

CrystEngComm

2,011

13

9

3138

10.1039/c0ce00224k

0.71073

MoKα

0.1244

0.0795

null

0.1516

0.1674

null

1.1

null

has coordinates

Kole, Goutam Kumar; Tan, Geok Kheng; Vittal, Jagadese J. Crystal engineering studies on the salts of trans-4,4′-stilbenedicarboxylic acid in the context of solid state [2 + 2] cycloaddition reaction CrystEngComm 13(9) (2011) 3138

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/7/20/55/7205584.cif $ #-------------------------------------------------------------------...

2,001,630

7.076

0.005

8.218

0.007

10.353

0.008

90

null

105.2

0.04

90

null

581

0.8

293

null

4

P 1 c 1

P -2yc

null

- C10 H18 N2 O7 -

- C20 H36 N4 O14 -

2

1

KA1016

Kettmann, V.; Lokaj, J.; Ducamp-Sanguesa, C.; Figlarz, M.; Touboul, M.

Structure of N-(2-hydroxyethyl)ethylenediaminetriacetic acid

Acta Crystallographica Section C

1,993

49

6

1182

1184

10.1107/S010827019201309X

0.71069

MoKα

null

0.034

null

0.042

null

0.86

null

has coordinates

Kettmann, V.; Lokaj, J.; Ducamp-Sanguesa, C.; Figlarz, M.; Touboul, M. Structure of N-(2-hydroxyethyl)ethylenediaminetriacetic acid Acta Crystallographica Section C 49(6) (1993) 1182-1184

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/2/00/16/2001630.cif $ #-------------------------------------------------------------------...

2,001,631

7.681

0.001

14.758

0.002

16.377

0.004

79.46

0.02

87.6

0.05

79.92

0.04

1,796.8

0.6

293

null

4

P -1

-P 1

2

- C39 H23 N9 S4 -

- C78 H46 N18 S8 -

2

1

PA1030

Triki, S.; Ouahab, L.; Grandjean, D.; Garin, J.; Uriel, S.; Fabre, J. M.

Structure of the bis(7,7,8,8-tetracyano-p-quinodimethane)–4-(benzylmethylaminomethyl)-2,2',5,5'-tetrathiafulvalene charge-transfer complex

Acta Crystallographica Section C

1,993

49

6

1184

1187

10.1107/S0108270192013313

0.71073

MoKα

null

0.039

null

0.049

null

1.106

null

has coordinates

Triki, S.; Ouahab, L.; Grandjean, D.; Garin, J.; Uriel, S.; Fabre, J. M. Structure of the bis(7,7,8,8-tetracyano-p-quinodimethane)–4-(benzylmethylaminomethyl)-2,2',5,5'-tetrathiafulvalene charge-transfer complex Acta Crystallographica Section C 49(6) (1993) 1184-1187

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$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/2/00/16/2001631.cif $ #-------------------------------------------------------------------...

2,001,632

10.107

0.004

12.359

0.005

20.861

0.013

90

null

90

null

90

null

2,606

2

293

null

5

C m c e

-C 2ac 2

64

- C8 H8 O4 Re S4 -

- C64 H64 O32 Re8 S32 -

8

0.5

PA1033

Mhanni, A.; Ouahab, L.; Grandjean, D.; Amouroux, J.; Fabre, J. M.

Structures of 3,4-dimethyl-2,2',5,5'-tetrathiafulvalene perrhenate, (DMTTF)ReO~4~, and 3',4'-dimethyl-3,4-tetramethylene-2,5-dithia-2',5'-diselenafulvalene hexafluorophosphate, (CHDTDMDSF)PF~6~

Acta Crystallographica Section C

1,993

49

6

1187

1189

10.1107/S0108270192013222

0.71073

MoKα

null

0.031

null

0.051

null

1.347

null

has coordinates

Mhanni, A.; Ouahab, L.; Grandjean, D.; Amouroux, J.; Fabre, J. M. Structures of 3,4-dimethyl-2,2',5,5'-tetrathiafulvalene perrhenate, (DMTTF)ReO~4~, and 3',4'-dimethyl-3,4-tetramethylene-2,5-dithia-2',5'-diselenafulvalene hexafluorophosphate, (CHDTDMDSF)PF~6~ Acta Crystallographica Section C 49(6) (1993) 1187-1189

206,165

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2018-02-04 23:27:52 +0200 (Sun, 04 Feb 2018) $ #$Revision: 206165 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/16/2001632.cif $ #-------------------------------------------------------------------...

7,205,583

12.1042

0.001

12.6256

0.001

15.2007

0.0011

110.722

0.002

111.88

0.002

95.796

0.002

1,942.3

0.3

223

2

223

2

null

4

P -1

-P 1

2

- C42 H57 N3 O6 -

- C84 H114 N6 O12 -

2

1

Kole, Goutam Kumar; Tan, Geok Kheng; Vittal, Jagadese J.

Crystal engineering studies on the salts of trans-4,4′-stilbenedicarboxylic acid in the context of solid state [2 + 2] cycloaddition reaction

CrystEngComm

2,011

13

9

3138

10.1039/c0ce00224k

0.71073

MoKα

0.1291

0.0793

null

0.1976

0.2255

null

1.034

null

has coordinates,has disorder

Kole, Goutam Kumar; Tan, Geok Kheng; Vittal, Jagadese J. Crystal engineering studies on the salts of trans-4,4′-stilbenedicarboxylic acid in the context of solid state [2 + 2] cycloaddition reaction CrystEngComm 13(9) (2011) 3138

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/7/20/55/7205583.cif $ #-------------------------------------------------------------------...

2,001,633

9.682

0.014

9.698

0.004

9.926

0.002

81.95

0.03

80.84

0.05

68.36

0.07

851.9

1.4

293

null

6

P -1

-P 1

2

- C12 H14 F6 P S2 Se2 -

- C12 H12 F6 P S2 Se2 -

- C24 H24 F12 P2 S4 Se4 -

2

1

PA1033

Mhanni, A.; Ouahab, L.; Grandjean, D.; Amouroux, J.; Fabre, J. M.

Structures of 3,4-dimethyl-2,2',5,5'-tetrathiafulvalene perrhenate, (DMTTF)ReO~4~, and 3',4'-dimethyl-3,4-tetramethylene-2,5-dithia-2',5'-diselenafulvalene hexafluorophosphate, (CHDTDMDSF)PF~6~

Acta Crystallographica Section C

1,993

49

6

1187

1189

10.1107/S0108270192013222

0.71073

MoKα

null

0.051

null

0.071

null

1.617

null

has coordinates

Mhanni, A.; Ouahab, L.; Grandjean, D.; Amouroux, J.; Fabre, J. M. Structures of 3,4-dimethyl-2,2',5,5'-tetrathiafulvalene perrhenate, (DMTTF)ReO~4~, and 3',4'-dimethyl-3,4-tetramethylene-2,5-dithia-2',5'-diselenafulvalene hexafluorophosphate, (CHDTDMDSF)PF~6~ Acta Crystallographica Section C 49(6) (1993) 1187-1189

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/2/00/16/2001633.cif $ #-------------------------------------------------------------------...

2,001,634

10.5

0.002

11.11

0.003

12.776

0.002

72.66

0.03

72.12

0.02

73.4

0.03

1,322.6

0.6

293

null

5

P -1

-P 1

2

- C58 H34 N10 O3 S6 -

- C58 H32 N10 O4 S6 -

1

0.5

PA1032

Triki, S.; Ouahab, L.; Lorcy, D.; Robert, A.

Structure of anthracenediylidene-bis(1,3-dithiole)–tetracyanoquinodimethane–bis(cyanoformyl)phenyl-malononitrile ylide monohydrate: (Ext-TTF^2+^).TCNQ.(Y^{–^})~2~.(H~2~O)

Acta Crystallographica Section C

1,993

49

6

1189

1192

10.1107/S0108270192013283

0.71073

MoKα

null

0.05

null

0.066

null

1.769

null

has coordinates

Triki, S.; Ouahab, L.; Lorcy, D.; Robert, A. Structure of anthracenediylidene-bis(1,3-dithiole)–tetracyanoquinodimethane–bis(cyanoformyl)phenyl-malononitrile ylide monohydrate: (Ext-TTF^2+^).TCNQ.(Y^{–^})~2~.(H~2~O) Acta Crystallographica Section C 49(6) (1993) 1189-1192

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/2/00/16/2001634.cif $ #-------------------------------------------------------------------...

2,001,635

7.736

0.002

10.941

0.002

26.445

0.005

90

null

90

null

90

null

2,238.3

0.8

178

null

4

P 21 21 21

P 2ac 2ab

null

- C27 H31 N O3 -

- C108 H124 N4 O12 -

4

1

HA1020

Jones, P. G.; Döring, D.; Laue, T.; Hopf, H.

Structures of the 1:1 and 2:1 adducts of (+)-(S)-[2.2]paracyclophane-4-carboxylic acid and (–)-ephedrine

Acta Crystallographica Section C

1,993

49

6

1192

1195

10.1107/S0108270192013568

0.71069

MoKα

null

0.038

null

0.043

null

1.5

null

has coordinates

Jones, P. G.; Döring, D.; Laue, T.; Hopf, H. Structures of the 1:1 and 2:1 adducts of (+)-(S)-[2.2]paracyclophane-4-carboxylic acid and (–)-ephedrine Acta Crystallographica Section C 49(6) (1993) 1192-1195

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$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/2/00/16/2001635.cif $ #-------------------------------------------------------------------...

7,205,582

11.8876

0.0011

11.8876

0.0011

8.2416

0.0009

90

null

90

null

90

null

1,164.7

0.2

223

2

223

2

null

4

I -4

82

? 1,1'-(2,2-bis((4-(trifluoromethyl)-1H-1,2,3-triazol-1-yl)methyl) propane-1,3-diyl)bis(4-(trifluoromethyl)-1H-1,2,3-triazole)?

- C17 H12 F12 N12 -

- C34 H24 F24 N24 -

2

0.25

Garg, Sonali; Shreeve, Jean'ne M.

Trifluoromethyl- or pentafluorosulfanyl-substituted poly-1,2,3-triazole compounds as dense stable energetic materials

Journal of Materials Chemistry

2,011

21

13

4787

10.1039/c0jm04229c

1.54178

CuKα

0.0608

0.0607

null

0.1553

0.1554

null

1.046

null

has coordinates

Garg, Sonali; Shreeve, Jean'ne M. Trifluoromethyl- or pentafluorosulfanyl-substituted poly-1,2,3-triazole compounds as dense stable energetic materials Journal of Materials Chemistry 21(13) (2011) 4787

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/7/20/55/7205582.cif $ #-------------------------------------------------------------------...

2,001,636

13.771

0.003

7.788

0.002

17.357

0.004

90

null

106.39

0.02

90

null

1,785.9

0.8

178

null

4

P 1 21 1

P 2yb

4

- C44 H47 N O5 -

- C88 H94 N2 O10 -

2

1

HA1020

Jones, P. G.; Döring, D.; Laue, T.; Hopf, H.

Structures of the 1:1 and 2:1 adducts of (+)-(S)-[2.2]paracyclophane-4-carboxylic acid and (–)-ephedrine

Acta Crystallographica Section C

1,993

49

6

1192

1195

10.1107/S0108270192013568

0.71069

MoKα

null

0.038

null

0.043

null

1.5

null

has coordinates

Jones, P. G.; Döring, D.; Laue, T.; Hopf, H. Structures of the 1:1 and 2:1 adducts of (+)-(S)-[2.2]paracyclophane-4-carboxylic acid and (–)-ephedrine Acta Crystallographica Section C 49(6) (1993) 1192-1195

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$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/2/00/16/2001636.cif $ #-------------------------------------------------------------------...

2,001,637

23.343

0.009

6.453

0.003

17.683

0.006

90

null

128.48

0.03

90

null

2,085.2

1.7

178

null

4

C 1 2 1

C 2y

null

- C25 H27 N O2 -

- C100 H108 N4 O8 -

4

1

MU1020

Jones, P. G.; Laue, T.; Hopf, H.

(–)-(S)-α-Phenylethylammonium (–)-(R)-[2.2]paracyclophane-4-carboxylate

Acta Crystallographica Section C

1,993

49

6

1195

1197

10.1107/S0108270192010527

0.71069

MoKα

null

0.038

null

0.044

null

1.7

null

has coordinates

Jones, P. G.; Laue, T.; Hopf, H. (–)-(S)-α-Phenylethylammonium (–)-(R)-[2.2]paracyclophane-4-carboxylate Acta Crystallographica Section C 49(6) (1993) 1195-1197

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$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/2/00/16/2001637.cif $ #-------------------------------------------------------------------...

2,001,638

18.204

0.004

7.855

0.001

11.751

0.002

90

null

91.77

0.02

90

null

1,679.5

0.5

150

null

4

C 1 2/c 1

-C 2yc

15

- C4 Cl4 O2 S -

- C32 Cl32 O16 S8 -

8

1

HA1035

Douglas, G.; Frampton, C. S.; Muir, K. W.

Structure of α-tetrachlorothiophene 1,1-dioxide at 150 K

Acta Crystallographica Section C

1,993

49

6

1197

1199

10.1107/S0108270193000277

0.71069

MoKα

null

0.043

null

0.08

null

3.3

null

has coordinates

Douglas, G.; Frampton, C. S.; Muir, K. W. Structure of α-tetrachlorothiophene 1,1-dioxide at 150 K Acta Crystallographica Section C 49(6) (1993) 1197-1199

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$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/2/00/16/2001638.cif $ #-------------------------------------------------------------------...

2,001,639

9.098

0.004

9.798

0.005

10.815

0.005

92.73

0.04

105.81

0.03

92

0.04

925.4

0.8

298

null

5

P -1

-P 1

2

- C19 H25 N2 O P -

- C38 H50 N4 O2 P2 -

2

1

ST1036

Koeller, K. J.; Rath, N. P.; Spilling, C. D.

Structure of a chiral monocyclic phosphonamide

Acta Crystallographica Section C

1,993

49

6

1199

1201

10.1107/S0108270192013003

0.71073

MoKα

null

0.0562

null

0.0628

null

1.33

null

has coordinates

Koeller, K. J.; Rath, N. P.; Spilling, C. D. Structure of a chiral monocyclic phosphonamide Acta Crystallographica Section C 49(6) (1993) 1199-1201

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$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/2/00/16/2001639.cif $ #-------------------------------------------------------------------...

2,001,640

16.43

0.004

10.819

0.001

15.536

0.004

90

null

105.52

0.01

90

null

2,660.9

1

296.15

null

296.15

null

4

P 1 21/a 1

-P 2yab

14

- C26 H40 O5 Si -

- C104 H160 O20 Si4 -

4

1

AS1027

Kamei, S.; Uchida, A.; Ohashi, Y.; Seto, M.; Morihira, K.; Horiguchi, Y.; Kuwajima, I.

Structure of endo-(5R*,6R*,10R*,11S*)-10-(tert-butyldimethylsiloxy)-5,6,10,11-tetrahydro-5-hydroxy-4,11-dimethoxy-7,7,9-trimethyl-6,10-methano-(7H)-benzocyclononene-8-carbaldehyde

Acta Crystallographica Section C

1,993

49

6

1201

1203

10.1107/S0108270192012915

1.54184

CuKα

null

0.064

null

0.079

null

1.01

null

has coordinates

Kamei, S.; Uchida, A.; Ohashi, Y.; Seto, M.; Morihira, K.; Horiguchi, Y.; Kuwajima, I. Structure of endo-(5R*,6R*,10R*,11S*)-10-(tert-butyldimethylsiloxy)-5,6,10,11-tetrahydro-5-hydroxy-4,11-dimethoxy-7,7,9-trimethyl-6,10-methano-(7H)-benzocyclononene-8-carbaldehyde Acta...

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$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/2/00/16/2001640.cif $ #-------------------------------------------------------------------...

7,205,581

9.7121

0.0014

14.214

0.002

15.29

0.002

90

null

104.906

0.002

90

null

2,039.7

0.5

100

2

100

2

null

4

P 1 21/c 1

-P 2ybc

14

tris(2-(4-(trifluoromethyl)-1H-1,2,3-triazol-1-yl)ethyl)amine

- C15 H15 F9 N10 -

- C60 H60 F36 N40 -

4

1

Garg, Sonali; Shreeve, Jean'ne M.

Trifluoromethyl- or pentafluorosulfanyl-substituted poly-1,2,3-triazole compounds as dense stable energetic materials

Journal of Materials Chemistry

2,011

21

13

4787

10.1039/c0jm04229c

0.71073

MoKα

0.0614

0.0418

null

0.0913

0.1008

null

1.039

null

has coordinates

Garg, Sonali; Shreeve, Jean'ne M. Trifluoromethyl- or pentafluorosulfanyl-substituted poly-1,2,3-triazole compounds as dense stable energetic materials Journal of Materials Chemistry 21(13) (2011) 4787

301,863

2025-08-22

13:07:25

#------------------------------------------------------------------------------ #$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/7/20/55/7205581.cif $ #-------------------------------------------------------------------...

2,001,641

7.671

0.003

8.621

0.002

28.191

0.008

90

null

90

null

90

null

1,864.3

1

293

null

293

null

4

P 21 21 21

P 2ac 2ab

19

2-ethoxycarbonyl-5-methyl-10-(2,4,6-trimethylphenyl)-1,2,9-triaza-8- oxabicyclo[5.3.0]-3,5,9-decatriene

- C19 H23 N3 O3 -

- C76 H92 N12 O12 -

4

1

NA1025

Beltrame, P.; Gelli, G.; Cadoni, E.; Carnasciali, M. M.; Pani, M.; Mugnoli, A.

Structure of a triazaoxabicyclodecatriene derivative

Acta Crystallographica Section C

1,993

49

6

1203

1205

10.1107/S0108270192012940

0.7107

MoKα

null

0.0618

null

0.0841

null

1.667

null

has coordinates,has disorder

Beltrame, P.; Gelli, G.; Cadoni, E.; Carnasciali, M. M.; Pani, M.; Mugnoli, A. Structure of a triazaoxabicyclodecatriene derivative Acta Crystallographica Section C 49(6) (1993) 1203-1205

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$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/2/00/16/2001641.cif $ #-------------------------------------------------------------------...