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

2,000,422

8.569

0.009

9.991

0.005

14.811

0.005

108.84

0.03

95.1

0.04

90.37

0.07

1,194.5

1.5

null

6

P -1

-P 1

2

- C32 H20 N4 O2 Pt S24 -

1

0.5

PA0278

Fettouhi, M.; Ouahab, L.; Grandjean, D.; Mousdis, G.; Delhaes, P.

Structures of some quasi-two-dimensional molecular conductors. I. Structure of κ-tetrakis(3,4-methylenedithio-2,2',5,5'-tetrathiafulvalen)ium tetracyanoplatinate dihydrate: κ-(MDTTTF)~4~Pt(CN)~4~(H~2~O)~2~

Acta Crystallographica Section C

1,992

48

11

1920

1923

10.1107/S0108270192002750

0.71073

Mo

null

has coordinates

Fettouhi, M.; Ouahab, L.; Grandjean, D.; Mousdis, G.; Delhaes, P. Structures of some quasi-two-dimensional molecular conductors. I. Structure of κ-tetrakis(3,4-methylenedithio-2,2',5,5'-tetrathiafulvalen)ium tetracyanoplatinate dihydrate: κ-(MDTTTF)~4~Pt(CN)~4~(H~2~O)~2~ Acta Crystallographica Section C 48(11) (1992) 1...

208,360

2020-10-21

18:00:00

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2,000,423

19.009

0.008

11.273

0.004

13.144

0.007

90

null

103.5

0.04

90

null

2,739

2

null

6

C 1 2/c 1

-C 2yc

15

- C8 H36 Cu2 N12 O16 S2 -

- C32 H144 Cu8 N48 O64 S8 -

4

0.5

LI0125

van Koningsbruggen, P. J.; Haasnoot, J. G.; de Graaff, R. A. G.; Reedijk, J.; Slingerland, S.

Structure of bis[μ-4-amino-3,5-bis(aminomethyl)-1,2,4-triazole-N',N^1^,N^2^,N'']-bis[diaquacopper(II)] bis(sulfate) tetrahydrate

Acta Crystallographica Section C

1,992

48

11

1923

1926

10.1107/S0108270192002634

0.71073

Mo

null

has coordinates

van Koningsbruggen, P. J.; Haasnoot, J. G.; de Graaff, R. A. G.; Reedijk, J.; Slingerland, S. Structure of bis[μ-4-amino-3,5-bis(aminomethyl)-1,2,4-triazole-N',N^1^,N^2^,N'']-bis[diaquacopper(II)] bis(sulfate) tetrahydrate Acta Crystallographica Section C 48(11) (1992) 1923-1926

301,791

2025-08-18

23:14:59

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7,205,860

6.8023

0.0011

12.19

0.002

14.598

0.002

79.24

0.001

77.46

0.003

80.735

0.002

1,151.6

0.3

293

2

293

2

null

6

P -1

-P 1

2

- C20 H18 Ag N6 Nd O12 -

- C40 H36 Ag2 N12 Nd2 O24 -

2

1

Chen, Min; Chen, Man-Sheng; Okamura, Taka-aki; Lv, Mei-Fang; Sun, Wei-Yin; Ueyama, Norikazu

A series of silver(i)‒lanthanide(iii) heterometallic coordination polymers: syntheses, structures and photoluminescent properties

CrystEngComm

2,011

13

11

3801

10.1039/c0ce00921k

0.71073

MoKα

0.0391

0.0384

null

0.1036

0.1045

null

1.023

null

has coordinates

Chen, Min; Chen, Man-Sheng; Okamura, Taka-aki; Lv, Mei-Fang; Sun, Wei-Yin; Ueyama, Norikazu A series of silver(i)‒lanthanide(iii) heterometallic coordination polymers: syntheses, structures and photoluminescent properties CrystEngComm 13(11) (2011) 3801

180,389

2020-10-21

18:00:00

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2,000,424

7.363

0.003

8.886

0.002

18.321

0.004

90

null

96.18

0.02

90

null

1,191.7

0.6

null

5

P 1 21/c 1

-P 2ybc

null

- C14 H38 N8 Ni2 O10 -

- C28 H76 N16 Ni4 O20 -

2

0.5

BR0003

Zhu, S.; Luo, Q.; Shen, M.; Huang, L.

Structure of the hydrogen-bond-rich dinickel(II) complex of N,N',N'',N'''-tetrakis(2-aminoethyl)-1,1,2,2-ethanetetraamide

Acta Crystallographica Section C

1,992

48

11

1926

1929

10.1107/S0108270192003056

0.71069

Mo

null

has coordinates

Zhu, S.; Luo, Q.; Shen, M.; Huang, L. Structure of the hydrogen-bond-rich dinickel(II) complex of N,N',N'',N'''-tetrakis(2-aminoethyl)-1,1,2,2-ethanetetraamide Acta Crystallographica Section C 48(11) (1992) 1926-1929

176,759

2020-10-21

18:00:00

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2,000,425

14.76

0.02

7.316

0.001

8.177

0.003

90

null

119.7

0.3

90

null

767

3

null

6

C 1 2/m 1

null

- C6 H24 F6 N2 O2 Sn -

- C12 H48 F12 N4 O4 Sn2 -

2

0.25

DU0247

Taha, A.; Liautard, B.; Granier, W.

Etude structurale du dihydrate de l'hexafluorostannate de triméthylammonium

Acta Crystallographica Section C

1,992

48

11

1929

1931

10.1107/S0108270191000550

0.70906

Mo

null

has coordinates

Taha, A.; Liautard, B.; Granier, W. Etude structurale du dihydrate de l'hexafluorostannate de triméthylammonium Acta Crystallographica Section C 48(11) (1992) 1929-1931

176,435

2020-10-21

18:00:00

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2,000,426

23.807

0.006

9.548

0.001

24.192

0.006

90

null

136.48

0.02

90

null

3,787

2

null

5

I 1 2/a 1

null

- C14 H16 I2 Pt Te2 -

- C112 H128 I16 Pt8 Te16 -

8

1

MU0295

Levason, W.; Webster, M.; Mitchell, C. J.

Structure of trans-diiodobis(methyl phenyl telluride)platinum(II)

Acta Crystallographica Section C

1,992

48

11

1931

1933

10.1107/S0108270192003354

0.71069

Mo

null

has coordinates

Levason, W.; Webster, M.; Mitchell, C. J. Structure of trans-diiodobis(methyl phenyl telluride)platinum(II) Acta Crystallographica Section C 48(11) (1992) 1931-1933

176,435

2020-10-21

18:00:00

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2,000,427

12.947

0.001

9.401

0.003

20.005

0.003

90

null

90

null

90

null

2,434.9

0.9

null

5

P b c a

null

- C26 H24 Cu N2 O8 -

- C104 H96 Cu4 N8 O32 -

4

0.5

AL0524

Hoang, N. N.; Valach, F.; Macášková, L.; Melník, M.

Structure of copper(II) salicylates: bis(3-pyridylmethanol)bis(salicylato)copper(II)

Acta Crystallographica Section C

1,992

48

11

1933

1936

10.1107/S0108270192003263

1.54178

Cu

null

has coordinates

Hoang, N. N.; Valach, F.; Macášková, L.; Melník, M. Structure of copper(II) salicylates: bis(3-pyridylmethanol)bis(salicylato)copper(II) Acta Crystallographica Section C 48(11) (1992) 1933-1936

301,791

2025-08-18

23:14:59

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7,205,859

20.435

0.003

4.9321

0.0004

15.875

0.002

90

null

105.577

0.005

90

null

1,541.2

0.3

293

2

293

2

null

5

C 1 2/c 1

-C 2yc

15

- C14 H14 Cu2 N4 O5 -

- C56 H56 Cu8 N16 O20 -

4

0.5

Fang, Zhen-Lan; Yu, Rong-Min; Zhang, Jie; Lu, Can-Zhong

Novel ligands and complexes in situ generated from the copper-mediated conversions of 2,5-bis(2-hydroxyphenyl)-1,3,4-oxadiazole: structures and magnetic properties

CrystEngComm

2,011

13

12

4032

10.1039/c0ce00907e

0.71073

MoKα

0.0672

0.0534

null

0.1552

0.1672

null

1.073

null

has coordinates

Fang, Zhen-Lan; Yu, Rong-Min; Zhang, Jie; Lu, Can-Zhong Novel ligands and complexes in situ generated from the copper-mediated conversions of 2,5-bis(2-hydroxyphenyl)-1,3,4-oxadiazole: structures and magnetic properties CrystEngComm 13(12) (2011) 4032

180,389

2020-10-21

18:00:00

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2,000,428

9.263

0.002

14.317

0.003

11.036

0.005

90

null

90

null

90

null

1,463.6

0.8

null

7

I b a m

null

- C8 H36 Br2 N8 O16 Pt2 S4 -

- C8 H40 Br4 N8 O16 Pt2 S4 -

- C16 H80 Br8 N16 O32 Pt4 S8 -

2

0.125

AS0571

Matsushita, N.; Taga, T.; Tsujikawa, I.

Structure of a one-dimensional Br-bridged Pt^II^-Pt^IV^ mixed-valence complex, catena-poly[bis(ethylenediamine)platinum(II,IV)-μ-bromo bis(hydrogensulfate)]

Acta Crystallographica Section C

1,992

48

11

1936

1939

10.1107/S0108270192003457

0.71069

Mo

null

has coordinates

Matsushita, N.; Taga, T.; Tsujikawa, I. Structure of a one-dimensional Br-bridged Pt^II^-Pt^IV^ mixed-valence complex, catena-poly[bis(ethylenediamine)platinum(II,IV)-μ-bromo bis(hydrogensulfate)] Acta Crystallographica Section C 48(11) (1992) 1936-1939

176,759

2020-10-21

18:00:00

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2,000,429

24.6077

0.0018

9.0071

0.0003

10.069

0.0004

90

null

100.824

0.005

90

null

2,192

0.2

null

6

P 1 n 1

P -2yac

7

- C24 H21 B F4 N P -

- C96 H84 B4 F16 N4 P4 -

4

2

AL0527

Llamas-Saiz, A. L.; Foces-Foces, C.; Elguero, J.; Molina, P.; Alajarín, M.; Vidal, A.

Effect of the protonation and of the ortho substitution on the structure of aryliminophosphoranes

Acta Crystallographica Section C

1,992

48

11

1940

1945

10.1107/S0108270192001811

1.5418

Cu

null

has coordinates

Llamas-Saiz, A. L.; Foces-Foces, C.; Elguero, J.; Molina, P.; Alajarín, M.; Vidal, A. Effect of the protonation and of the ortho substitution on the structure of aryliminophosphoranes Acta Crystallographica Section C 48(11) (1992) 1940-1945

301,791

2025-08-18

23:14:59

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2,000,430

30.4088

0.0015

11.5561

0.0003

22.9996

0.001

90

null

101.437

0.003

90

null

7,921.7

0.6

null

4

I 1 2/a 1

-I 2ya

15

- C24 H21 N2 P -

- C384 H336 N32 P16 -

16

2

AL0527

Llamas-Saiz, A. L.; Foces-Foces, C.; Elguero, J.; Molina, P.; Alajarín, M.; Vidal, A.

Effect of the protonation and of the ortho substitution on the structure of aryliminophosphoranes

Acta Crystallographica Section C

1,992

48

11

1940

1945

10.1107/S0108270192001811

1.5418

Cu

null

has coordinates

Llamas-Saiz, A. L.; Foces-Foces, C.; Elguero, J.; Molina, P.; Alajarín, M.; Vidal, A. Effect of the protonation and of the ortho substitution on the structure of aryliminophosphoranes Acta Crystallographica Section C 48(11) (1992) 1940-1945

301,791

2025-08-18

23:14:59

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2,000,431

6.55

0.003

17.318

0.006

20.129

0.006

90

null

98.83

0.03

90

null

2,256.2

1.5

null

5

P 1 21 1

null

- C22 H29 N O3 Si -

- C88 H116 N4 O12 Si4 -

4

2

HH0589

Marsh, R. E.; Schaefer, W. P.; Widdowson, K. L.; Myers, A. G.

Structure of an anti-aldol addition product of benzaldehyde and a pseudoephedrine-derived O-silyl ketene N,O-acetal

Acta Crystallographica Section C

1,992

48

11

1948

1951

10.1107/S0108270192002233

0.71073

Mo

null

has coordinates

Marsh, R. E.; Schaefer, W. P.; Widdowson, K. L.; Myers, A. G. Structure of an anti-aldol addition product of benzaldehyde and a pseudoephedrine-derived O-silyl ketene N,O-acetal Acta Crystallographica Section C 48(11) (1992) 1948-1951

301,791

2025-08-18

23:14:59

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7,205,858

29.394

0.016

5.317

0.002

18.588

0.01

90

null

118.972

0.007

90

null

2,542

2

293

2

293

2

null

5

C 1 2/c 1

-C 2yc

15

- C14 H8 Cu2 N3 O2 -

- C112 H64 Cu16 N24 O16 -

8

1

Fang, Zhen-Lan; Yu, Rong-Min; Zhang, Jie; Lu, Can-Zhong

Novel ligands and complexes in situ generated from the copper-mediated conversions of 2,5-bis(2-hydroxyphenyl)-1,3,4-oxadiazole: structures and magnetic properties

CrystEngComm

2,011

13

12

4032

10.1039/c0ce00907e

0.71073

MoKα

0.0587

0.0437

null

0.1091

0.1276

null

1.091

null

has coordinates

Fang, Zhen-Lan; Yu, Rong-Min; Zhang, Jie; Lu, Can-Zhong Novel ligands and complexes in situ generated from the copper-mediated conversions of 2,5-bis(2-hydroxyphenyl)-1,3,4-oxadiazole: structures and magnetic properties CrystEngComm 13(12) (2011) 4032

180,389

2020-10-21

18:00:00

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2,000,432

11.676

0.002

24.819

0.007

12.344

0.003

90

null

113.74

0.02

90

null

3,274.4

1.4

null

6

P 1 21/a 1

-P 2yab

14

- C12 H20 Br N4 O3 S -

- C12 H20 Br N4 O2.5 S -

- C96 H160 Br8 N32 O20 S8 -

8

2

AS0586

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

Structure of thiamine bromide sesquihydrate

Acta Crystallographica Section C

1,992

48

11

1951

1954

10.1107/S0108270192002257

0.71069

Mo

null

has coordinates,has disorder

Hu, N.-H.; Zhang, S.-L. Structure of thiamine bromide sesquihydrate Acta Crystallographica Section C 48(11) (1992) 1951-1954

208,452

2020-10-21

18:00:00

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2,000,433

10.231

0.007

11.171

0.007

14.759

0.005

90

null

90

null

90

null

1,686.8

1.7

null

4

P 21 21 21

P 2ac 2ab

null

- C19 H28 N2 O2 -

- C19 H27 N2 O2 -

- C76 H108 N8 O8 -

4

1

HE0046

Maes, D.; Fiddelaers, P.; Wyns, L.; Lisgarten, J.; Lisgarten, D.; Palmer, R.

Structure of (17α)-androstano[3,4-c][1,2,5]oxadiazole-17-ol (HS963)

Acta Crystallographica Section C

1,992

48

11

1954

1957

10.1107/S010827019200252X

1.54184

Cu

null

has coordinates

Maes, D.; Fiddelaers, P.; Wyns, L.; Lisgarten, J.; Lisgarten, D.; Palmer, R. Structure of (17α)-androstano[3,4-c][1,2,5]oxadiazole-17-ol (HS963) Acta Crystallographica Section C 48(11) (1992) 1954-1957

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/2/00/04/2000433.cif $ #-------------------------------------------------------------------...

2,000,434

8.939

0.003

10.697

0.004

14.92

0.004

90

null

102.55

0.02

90

null

1,392.6

0.8

null

4

C 1 2/c 1

-C 2yc

15

- C5 H7 N5 O2 -

- C40 H56 N40 O16 -

8

1

CR0391

Serra, M. A.; Dorner, B. K.; Silver, M. E.

Structure of an adenine-hydrogen peroxide adduct

Acta Crystallographica Section C

1,992

48

11

1957

1960

10.1107/S0108270192002294

0.71069

Mo

null

has coordinates

Serra, M. A.; Dorner, B. K.; Silver, M. E. Structure of an adenine-hydrogen peroxide adduct Acta Crystallographica Section C 48(11) (1992) 1957-1960

301,791

2025-08-18

23:14:59

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2,000,435

18.508

0.007

5.228

0.002

6.342

0.003

90

null

93.22

0.03

90

null

612.7

0.4

null

3

P 1 21/a 1

-P 2yab

null

- C7 H6 O3 -

- C7 H7 O3 -

- C28 H28 O12 -

4

1

CR0372

Heath, E. A.; Singh, P.; Ebisuzaki, Y.

Structure of p-hydroxybenzoic acid and p-hydroxybenzoic acid-acetone complex (2/1)

Acta Crystallographica Section C

1,992

48

11

1960

1965

10.1107/S0108270192002361

0.71073

Mo

null

has coordinates

Heath, E. A.; Singh, P.; Ebisuzaki, Y. Structure of p-hydroxybenzoic acid and p-hydroxybenzoic acid-acetone complex (2/1) Acta Crystallographica Section C 48(11) (1992) 1960-1965

176,759

2020-10-21

18:00:00

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7,205,857

9.159

0.003

10.311

0.003

10.797

0.003

69.736

0.008

82.11

0.012

87.822

0.011

947.4

0.5

293

2

293

2

null

6

P -1

-P 1

2

- C12 H14 Cu4 Mo8 N10 O32 -

1

0.5

Wu, Xiao-Yuan; Dong, Ping; Yu, Rongmin; Zhang, Qi-Kai; Kuang, Xiaofei; Chen, Shan-Ci; Lin, Qi-Pu; Lu, Can-Zhong

A 2D polyoxometalate-based complex: spin-canting and metamagnetism

CrystEngComm

2,011

13

11

3686

10.1039/c0ce00905a

0.71073

MoKα

0.0461

0.0344

null

0.0958

0.1353

null

1.157

null

has coordinates

Wu, Xiao-Yuan; Dong, Ping; Yu, Rongmin; Zhang, Qi-Kai; Kuang, Xiaofei; Chen, Shan-Ci; Lin, Qi-Pu; Lu, Can-Zhong A 2D polyoxometalate-based complex: spin-canting and metamagnetism CrystEngComm 13(11) (2011) 3686

180,389

2020-10-21

18:00:00

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2,000,436

24.093

0.008

7.232

0.002

9.699

0.002

90

null

92.47

0.02

90

null

1,688.4

0.8

null

3

P 1 21/a 1

-P 2yab

null

- C17 H18 O7 -

- C68 H72 O28 -

4

1

CR0372

Heath, E. A.; Singh, P.; Ebisuzaki, Y.

Structure of p-hydroxybenzoic acid and p-hydroxybenzoic acid-acetone complex (2/1)

Acta Crystallographica Section C

1,992

48

11

1960

1965

10.1107/S0108270192002361

0.71073

Mo

null

has coordinates

Heath, E. A.; Singh, P.; Ebisuzaki, Y. Structure of p-hydroxybenzoic acid and p-hydroxybenzoic acid-acetone complex (2/1) Acta Crystallographica Section C 48(11) (1992) 1960-1965

301,791

2025-08-18

23:14:59

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2,000,437

14.23

0.001

24.37

0.005

18.78

0.002

90

null

90

null

90

null

6,512.6

1.6

null

4

P 21 21 21

P 2ac 2ab

null

- C54 H95 N9 O17 -

- C54 N9 O18 -

- C216 N36 O72 -

4

1

CR0373

Han, F.; Mortishire-Smith, R. J.; Rainey, P. B.; Williams, D. H.

Structure of the white-line-inducing principle isolated from Pseudomonas reactans

Acta Crystallographica Section C

1,992

48

11

1965

1968

10.1107/S0108270192001690

1.5418

Cu

null

has coordinates

Han, F.; Mortishire-Smith, R. J.; Rainey, P. B.; Williams, D. H. Structure of the white-line-inducing principle isolated from Pseudomonas reactans Acta Crystallographica Section C 48(11) (1992) 1965-1968

176,759

2020-10-21

18:00:00

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2,000,438

10.076

0.002

12.346

0.003

9.154

0.002

98.9

0.02

122.06

0.02

96.67

0.02

926.3

0.4

null

4

P -1

-P 1

2

- C22 H21 N O2 -

- C44 H42 N2 O4 -

2

1

AS0561

Hamada, K.; Oh-hira, M.; Fujiwara, T.; Toda, F.

Structures of two crystal forms of the host-guest complex between trans-3,3'-bis(diphenylhydroxymethyl)azobenzene and acetone

Acta Crystallographica Section C

1,992

48

11

1969

1971

10.1107/S0108270192002245

1.5418

Cu

null

has coordinates

Hamada, K.; Oh-hira, M.; Fujiwara, T.; Toda, F. Structures of two crystal forms of the host-guest complex between trans-3,3'-bis(diphenylhydroxymethyl)azobenzene and acetone Acta Crystallographica Section C 48(11) (1992) 1969-1971

301,791

2025-08-18

23:14:59

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2,000,439

16.782

0.002

8.744

0.003

23.386

0.003

90

null

107.83

0.02

90

null

3,266.9

1.3

null

4

C 1 2/c 1

-C 2yc

15

- C41 H36 N2 O3 -

- C164 H144 N8 O12 -

4

0.5

AS0561

Hamada, K.; Oh-hira, M.; Fujiwara, T.; Toda, F.

Structures of two crystal forms of the host-guest complex between trans-3,3'-bis(diphenylhydroxymethyl)azobenzene and acetone

Acta Crystallographica Section C

1,992

48

11

1969

1971

10.1107/S0108270192002245

1.5418

Cu

null

has coordinates

Hamada, K.; Oh-hira, M.; Fujiwara, T.; Toda, F. Structures of two crystal forms of the host-guest complex between trans-3,3'-bis(diphenylhydroxymethyl)azobenzene and acetone Acta Crystallographica Section C 48(11) (1992) 1969-1971

301,791

2025-08-18

23:14:59

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7,205,856

43.6732

0.0037

5.88876

0.00052

5.14629

0.00039

90

null

90

null

90

null

1,323.53

0.19

291

null

291

null

4

P 21 21 21

P 2ac 2ab

19

- C28 H26 Mg O10 -

- C56 H52 Mg2 O20 -

2

0.5

Friščić, Tomislav; Halasz, Ivan; Strobridge, Fiona C.; Dinnebier, Robert E.; Stein, Robin S.; Fábián, László; Curfs, Caroline

A rational approach to screen for hydrated forms of the pharmaceutical derivative magnesium naproxen using liquid-assisted grinding

CrystEngComm

2,011

13

9

3125

10.1039/c0ce00894j

powder diffraction

1.54059

CuKα_1

null

0.0253

null

1.71

null

has coordinates

Friščić, Tomislav; Halasz, Ivan; Strobridge, Fiona C.; Dinnebier, Robert E.; Stein, Robin S.; Fábián, László; Curfs, Caroline A rational approach to screen for hydrated forms of the pharmaceutical derivative magnesium naproxen using liquid-assisted grinding CrystEngComm 13(9) (2011) 3125

176,453

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $ #$Revision: 176453 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/58/7205856.cif $ #-------------------------------------------------------------------...

2,000,440

5.087

0.002

19.222

0.003

9.552

0.002

90

null

93.81

0.03

90

null

932

0.4

null

3

C 1 2/c 1

-C 2yc

15

- C12 H8 O4 -

- C48 H32 O16 -

4

0.5

ST0572

Fitzgerald, L. J.; Gerkin, R. E.

Structure of 2,3-naphthalenedicarboxylic acid

Acta Crystallographica Section C

1,992

48

11

1971

1975

10.1107/S0108270192003226

0.71073

Mo

null

has coordinates

Fitzgerald, L. J.; Gerkin, R. E. Structure of 2,3-naphthalenedicarboxylic acid Acta Crystallographica Section C 48(11) (1992) 1971-1975

301,791

2025-08-18

23:14:59

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/04/2000440.cif $ #-------------------------------------------------------------------...

2,000,441

8.059

0.002

11.537

0.003

22.311

0.006

90

null

90

null

90

null

2,074.4

0.9

null

5

P 21 21 21

P 2ac 2ab

null

- C20 H29 Cl N2 O4 -

- C20 H22 Cl N2 O4 -

- C80 H88 Cl4 N8 O16 -

4

1

CR0388

Karle, J. M.; Karle, I. L.

Structure of 9-epiquinine hydrochloride dihydrate versus antimalarial activity

Acta Crystallographica Section C

1,992

48

11

1975

1980

10.1107/S0108270192002373

1.54178

Cu

null

has coordinates

Karle, J. M.; Karle, I. L. Structure of 9-epiquinine hydrochloride dihydrate versus antimalarial activity Acta Crystallographica Section C 48(11) (1992) 1975-1980

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/2/00/04/2000441.cif $ #-------------------------------------------------------------------...

2,000,442

7.7505

0.0009

16.484

0.002

8.7383

0.0009

90

null

101.16

0.01

90

null

1,095.3

0.2

null

3

P 1 21/n 1

-P 2yn

14

- C15 H14 O2 -

- C60 H56 O8 -

4

1

AB0267

Nethaji, M.; Pattabhi, V.; Harikrishna Reddy, S.

Structure of pentacyclo[8.5.0.0^2,7^.0^4,13^.0^5,1^]pentadeca-8,14-diene-3,6-dione

Acta Crystallographica Section C

1,992

48

11

1980

1981

10.1107/S0108270192002154

0.7107

Mo

null

has coordinates

Nethaji, M.; Pattabhi, V.; Harikrishna Reddy, S. Structure of pentacyclo[8.5.0.0^2,7^.0^4,13^.0^5,1^]pentadeca-8,14-diene-3,6-dione Acta Crystallographica Section C 48(11) (1992) 1980-1981

301,791

2025-08-18

23:14:59

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2,000,443

12.94

0.003

13.551

0.003

7.44

0.002

90

null

90

null

90

null

1,304.6

0.5

null

4

P n m n

null

- C26 H8 N8 S6 -

- C52 H16 N16 S12 -

2

0.25

AS0570

Iwasaki, K.; Ida, T.; Kawamoto, A.; Ugawa, A.; Yamashita, Y.; Yakushi, K.; Suzuki, T.

Structure of the charge-transfer complex of (DBTTF)(BTDA-TCNQ)

Acta Crystallographica Section C

1,992

48

11

1982

1984

10.1107/S0108270192003445

0.71073

Mo

null

has coordinates

Iwasaki, K.; Ida, T.; Kawamoto, A.; Ugawa, A.; Yamashita, Y.; Yakushi, K.; Suzuki, T. Structure of the charge-transfer complex of (DBTTF)(BTDA-TCNQ) Acta Crystallographica Section C 48(11) (1992) 1982-1984

301,791

2025-08-18

23:14:59

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/04/2000443.cif $ #-------------------------------------------------------------------...

2,000,444

5.5055

0.0013

25.201

0.003

8.1241

0.0019

90

null

100.434

0.011

90

null

1,108.5

0.4

null

4

P 1 21/c 1

-P 2ybc

14

- C10 H13 N3 O3 -

- C40 H52 N12 O12 -

4

1

BR0018

Vaughan, K.; Cameron, L. M.; Christie, S.; Zaworotko, M. J.

Structures of the isomeric triazene 1-oxides 3-(4-ethoxycarbonylphenyl)-1-methyltriazene 1-oxide (1) and 3-(2-ethoxycarbonylphenyl)-1-methyltriazene 1-oxide (2)

Acta Crystallographica Section C

1,992

48

11

1985

1988

10.1107/S0108270192003329

0.70926

Mo

null

has coordinates

Vaughan, K.; Cameron, L. M.; Christie, S.; Zaworotko, M. J. Structures of the isomeric triazene 1-oxides 3-(4-ethoxycarbonylphenyl)-1-methyltriazene 1-oxide (1) and 3-(2-ethoxycarbonylphenyl)-1-methyltriazene 1-oxide (2) Acta Crystallographica Section C 48(11) (1992) 1985-1988

301,791

2025-08-18

23:14:59

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2,000,445

12.963

0.009

8.1716

0.0008

11.212

0.007

90

null

110.85

0.03

90

null

1,109.9

1.1

null

4

P 1 21/c 1

-P 2ybc

14

- C10 H13 N3 O3 -

- C40 H52 N12 O12 -

4

1

BR0018

Vaughan, K.; Cameron, L. M.; Christie, S.; Zaworotko, M. J.

Structures of the isomeric triazene 1-oxides 3-(4-ethoxycarbonylphenyl)-1-methyltriazene 1-oxide (1) and 3-(2-ethoxycarbonylphenyl)-1-methyltriazene 1-oxide (2)

Acta Crystallographica Section C

1,992

48

11

1985

1988

10.1107/S0108270192003329

0.70926

Mo

null

has coordinates

Vaughan, K.; Cameron, L. M.; Christie, S.; Zaworotko, M. J. Structures of the isomeric triazene 1-oxides 3-(4-ethoxycarbonylphenyl)-1-methyltriazene 1-oxide (1) and 3-(2-ethoxycarbonylphenyl)-1-methyltriazene 1-oxide (2) Acta Crystallographica Section C 48(11) (1992) 1985-1988

301,791

2025-08-18

23:14:59

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7,205,855

14.0543

0.0003

6.1624

0.0002

15.0156

0.0005

90

null

111.797

0.001

90

null

1,207.5

0.06

180

2

180

2

null

4

P 1 21 1

P 2yb

4

2

magnesium naproxen monohydrate

- C28 H28 Mg O7 -

- C56 H56 Mg2 O14 -

2

1

Friščić, Tomislav; Halasz, Ivan; Strobridge, Fiona C.; Dinnebier, Robert E.; Stein, Robin S.; Fábián, László; Curfs, Caroline

A rational approach to screen for hydrated forms of the pharmaceutical derivative magnesium naproxen using liquid-assisted grinding

CrystEngComm

2,011

13

9

3125

10.1039/c0ce00894j

0.71073

MoKα

0.0593

0.0438

null

0.0838

0.0914

null

1.088

null

has coordinates

Friščić, Tomislav; Halasz, Ivan; Strobridge, Fiona C.; Dinnebier, Robert E.; Stein, Robin S.; Fábián, László; Curfs, Caroline A rational approach to screen for hydrated forms of the pharmaceutical derivative magnesium naproxen using liquid-assisted grinding CrystEngComm 13(9) (2011) 3125

180,389

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-26 17:21:16 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180389 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/58/7205855.cif $ #-------------------------------------------------------------------...

2,000,446

8.259

0.007

13.111

0.004

9.978

0.004

90

null

104.9

0.05

90

null

1,044.1

1.1

null

4

P 1 21/c 1

-P 2ybc

14

- C10 H6 N4 O4 -

- C40 H24 N16 O16 -

4

1

AL0537

Rice, C. R.; Wallis, J. D.; Povey, D. C.

Intramolecular interactions in 3,3'-dinitro-2,2'-bipyridine

Acta Crystallographica Section C

1,992

48

11

1988

1991

10.1107/S0108270192003251

0.71069

Mo

null

has coordinates

Rice, C. R.; Wallis, J. D.; Povey, D. C. Intramolecular interactions in 3,3'-dinitro-2,2'-bipyridine Acta Crystallographica Section C 48(11) (1992) 1988-1991

301,791

2025-08-18

23:14:59

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/04/2000446.cif $ #-------------------------------------------------------------------...

2,000,447

10.33

0.002

10.958

0.002

13.251

0.003

78.48

0.02

80.86

0.02

87.04

0.03

1,450.8

0.5

null

5

P -1

-P 1

2

- C16 H13 Cl N2 O2 -

- C64 H52 Cl4 N8 O8 -

4

2

CR0364

Karolak-Wojciechowska, J.; Kwiatkowski, W.; Karczmarzyk, Z.; Zejc, A.; Obniska, J.

Structure and conformation of N-(4-methyl-2-pyridyl)-p-chlorophenylsuccinimide

Acta Crystallographica Section C

1,992

48

11

1991

1994

10.1107/S0108270192002853

1.54178

Cu

null

has coordinates

Karolak-Wojciechowska, J.; Kwiatkowski, W.; Karczmarzyk, Z.; Zejc, A.; Obniska, J. Structure and conformation of N-(4-methyl-2-pyridyl)-p-chlorophenylsuccinimide Acta Crystallographica Section C 48(11) (1992) 1991-1994

301,791

2025-08-18

23:14:59

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/04/2000447.cif $ #-------------------------------------------------------------------...

2,000,448

10.867

0.002

5.79

0.001

14.74

0.002

90

null

94.75

0.01

90

null

924.3

0.3

null

4

P 1 21 1

null

- C18 H24 N2 O5 -

- C36 H48 N4 O10 -

2

1

AL0535

Qing, C. Y.; de Wit, D.; van Rantwijk, F.; van Koningsveld, H.; Maat, L.

Structure of a phenylhydrazone of diacetone protected 3-keto-glucose

Acta Crystallographica Section C

1,992

48

11

1994

1996

10.1107/S0108270192002798

0.71073

Mo

null

has coordinates

Qing, C. Y.; de Wit, D.; van Rantwijk, F.; van Koningsveld, H.; Maat, L. Structure of a phenylhydrazone of diacetone protected 3-keto-glucose Acta Crystallographica Section C 48(11) (1992) 1994-1996

301,791

2025-08-18

23:14:59

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/04/2000448.cif $ #-------------------------------------------------------------------...

7,205,854

13.831

0.002

13.831

0.002

27.458

0.008

90

null

90

null

90

null

5,252.6

1.9

296

2

296

2

null

5

I 41/a c d :2

-I 4bd 2c

142

- C12 H8 Cu N2 O7 -

- C192 H128 Cu16 N32 O112 -

16

0.5

Tang, Yun-Zhi; Zhou, Man; Wen, He-Rui; Cao, Zan; Wang, Xiao-Wei; Huang, Suai

Two novel coordination polymers constructed from 2,2′-bipyridine-3,3′-dicarboxylic acid 1,1′-dioxide ligands

CrystEngComm

2,011

13

8

3040

10.1039/c0ce00884b

0.71073

MoKα

0.059

0.0403

null

0.1102

0.1223

null

1.031

null

has coordinates

Tang, Yun-Zhi; Zhou, Man; Wen, He-Rui; Cao, Zan; Wang, Xiao-Wei; Huang, Suai Two novel coordination polymers constructed from 2,2′-bipyridine-3,3′-dicarboxylic acid 1,1′-dioxide ligands CrystEngComm 13(8) (2011) 3040

180,389

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-26 17:21:16 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180389 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/58/7205854.cif $ #-------------------------------------------------------------------...

2,000,449

10.548

0.006

19.59

0.011

7.729

0.003

90

null

90

null

90

null

1,597.1

1.4

null

4

C m c 21

null

- C18 H20 N2 O3 -

- C20 H24 N4 O6 -

- C80 H96 N16 O24 -

4

0.5

CR0293

Singh, P.; Levine, S. G.; Kasdorf, K.

Structures of 4β-(nitromethyl)-2α,6α-diphenyl-4α-piperidinol and 4β-(nitromethyl)-2β,6β-diphenyl-4α-piperidinol

Acta Crystallographica Section C

1,992

48

11

1996

2000

10.1107/S0108270192003482

0.71069

Mo

null

has coordinates

Singh, P.; Levine, S. G.; Kasdorf, K. Structures of 4β-(nitromethyl)-2α,6α-diphenyl-4α-piperidinol and 4β-(nitromethyl)-2β,6β-diphenyl-4α-piperidinol Acta Crystallographica Section C 48(11) (1992) 1996-2000

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/2/00/04/2000449.cif $ #-------------------------------------------------------------------...

2,000,450

5.573

0.002

11.852

0.006

13.44

0.007

68.42

0.04

89.46

0.04

79.82

0.03

811

0.7

null

4

P -1

-P 1

2

- C18 H20 N2 O3 -

- C36 H40 N4 O6 -

2

1

CR0293

Singh, P.; Levine, S. G.; Kasdorf, K.

Structures of 4β-(nitromethyl)-2α,6α-diphenyl-4α-piperidinol and 4β-(nitromethyl)-2β,6β-diphenyl-4α-piperidinol

Acta Crystallographica Section C

1,992

48

11

1996

2000

10.1107/S0108270192003482

0.71069

Mo

null

has coordinates

Singh, P.; Levine, S. G.; Kasdorf, K. Structures of 4β-(nitromethyl)-2α,6α-diphenyl-4α-piperidinol and 4β-(nitromethyl)-2β,6β-diphenyl-4α-piperidinol Acta Crystallographica Section C 48(11) (1992) 1996-2000

301,791

2025-08-18

23:14:59

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/04/2000450.cif $ #-------------------------------------------------------------------...

2,000,451

20.828

0.005

8.364

0.002

21.508

0.004

90

null

122.39

0.02

90

null

3,163.9

1.4

null

3

C 1 2/c 1

-C 2yc

15

- C18 H22 O3 -

- C144 H176 O24 -

8

1

HH0594

Toscano, R. A.; Quijano, L.; Gómez, F.; García-Pérez, G.; Rios, T.

Structure of wigandol

Acta Crystallographica Section C

1,992

48

11

2000

2002

10.1107/S010827019200307X

1.54178

Cu

null

has coordinates

Toscano, R. A.; Quijano, L.; Gómez, F.; García-Pérez, G.; Rios, T. Structure of wigandol Acta Crystallographica Section C 48(11) (1992) 2000-2002

301,791

2025-08-18

23:14:59

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/04/2000451.cif $ #-------------------------------------------------------------------...

2,000,452

9.54

0.003

17.763

0.005

10.39

0.006

90

null

106.91

0.04

90

null

1,684.6

1.3

null

5

P 1 21/n 1

-P 2yn

14

triphenylphosphine oxide hydrogen bromide

- C18 H16 Br O P -

- C72 H64 Br4 O4 P4 -

4

1

AL0534

Lane, H. P.; McAuliffe, C. A.; Pritchard, R. G.

Triphenylphosphine oxide hydrogen bromide

Acta Crystallographica Section C

1,992

48

11

2002

2004

10.1107/S0108270192002518

0.71069

Mo

null

has coordinates

Lane, H. P.; McAuliffe, C. A.; Pritchard, R. G. Triphenylphosphine oxide hydrogen bromide Acta Crystallographica Section C 48(11) (1992) 2002-2004

206,335

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2018-02-09 13:26:18 +0200 (Fri, 09 Feb 2018) $ #$Revision: 206335 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/04/2000452.cif $ #-------------------------------------------------------------------...

2,000,453

7.983

0.003

18.028

0.002

11.668

0.001

90

null

90

null

90

null

1,679.2

0.7

null

6

P n a 21

P 2c -2n

null

- C17 H20 Cl N3 O S -

- C68 H80 Cl4 N12 O4 S4 -

4

1

HU1001

Christiansen, J.; Clark, G. R.; Denny, W. A.; Palmer, B. D.

Structure of N-(2-dimethylaminoethyl)phenothiazine-1-carboxamide hydrochloride

Acta Crystallographica Section C

1,992

48

11

2004

2007

10.1107/S0108270192003330

0.71069

MoKα

null

has coordinates

Christiansen, J.; Clark, G. R.; Denny, W. A.; Palmer, B. D. Structure of N-(2-dimethylaminoethyl)phenothiazine-1-carboxamide hydrochloride Acta Crystallographica Section C 48(11) (1992) 2004-2007

301,791

2025-08-18

23:14:59

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/04/2000453.cif $ #-------------------------------------------------------------------...

7,205,853

17.4216

0.001

10.6092

0.0006

7.4959

0.0004

90

null

90

null

90

null

1,385.46

0.13

296

2

296

2

null

5

I m a 2

I 2 -2a

46

- C12 H10 Ba N2 O8 -

- C12 H11 Ba N2 O8 -

- C48 H44 Ba4 N8 O32 -

4

0.5

Tang, Yun-Zhi; Zhou, Man; Wen, He-Rui; Cao, Zan; Wang, Xiao-Wei; Huang, Suai

Two novel coordination polymers constructed from 2,2′-bipyridine-3,3′-dicarboxylic acid 1,1′-dioxide ligands

CrystEngComm

2,011

13

8

3040

10.1039/c0ce00884b

0.71073

MoKα

0.0156

0.0152

null

0.0387

0.0389

null

1.173

null

has coordinates

Tang, Yun-Zhi; Zhou, Man; Wen, He-Rui; Cao, Zan; Wang, Xiao-Wei; Huang, Suai Two novel coordination polymers constructed from 2,2′-bipyridine-3,3′-dicarboxylic acid 1,1′-dioxide ligands CrystEngComm 13(8) (2011) 3040

180,389

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-26 17:21:16 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180389 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/58/7205853.cif $ #-------------------------------------------------------------------...

2,000,454

6.408

0.001

10.433

0.001

12.388

0.001

90

null

98.6

0.01

90

null

818.88

0.17

null

5

P 1 21/c 1

null

- C5 H10 N O3 S -

- C10 H20 N2 O6 S2 -

- C20 H40 N4 O12 S4 -

2

0.5

CR0404

Pyrka, G. J.; Scott, N.; Fernando, Q.

Structure of the 1:2 adduct of meso-2,3-dimercaptosuccinic acid and N,N-dimethylformamide

Acta Crystallographica Section C

1,992

48

11

2007

2009

10.1107/S0108270192002865

0.71073

Mo

null

has coordinates

Pyrka, G. J.; Scott, N.; Fernando, Q. Structure of the 1:2 adduct of meso-2,3-dimercaptosuccinic acid and N,N-dimethylformamide Acta Crystallographica Section C 48(11) (1992) 2007-2009

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/2/00/04/2000454.cif $ #-------------------------------------------------------------------...

2,000,455

5.96

0.001

9.569

0.002

10.679

0.002

96.82

0.02

98.32

0.02

90.32

0.02

598.2

0.2

null

3

P -1

-P 1

2

- C15 H14 O3 -

- C30 H28 O6 -

2

1

AB0274

Larsen, I. K.; Andersen, L. A.; Pedersen, B. F.

Structures of two crystalline modifications of lapachol

Acta Crystallographica Section C

1,992

48

11

2009

2013

10.1107/S0108270192003378

0.71073

Mo

null

has coordinates

Larsen, I. K.; Andersen, L. A.; Pedersen, B. F. Structures of two crystalline modifications of lapachol Acta Crystallographica Section C 48(11) (1992) 2009-2013

301,791

2025-08-18

23:14:59

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/04/2000455.cif $ #-------------------------------------------------------------------...

2,000,456

6.035

0.001

9.427

0.002

20.918

0.005

90

null

98.27

0.02

90

null

1,177.7

0.4

null

3

P 1 21/c 1

-P 2ybc

14

- C15 H14 O3 -

- C60 H56 O12 -

4

1

AB0274

Larsen, I. K.; Andersen, L. A.; Pedersen, B. F.

Structures of two crystalline modifications of lapachol

Acta Crystallographica Section C

1,992

48

11

2009

2013

10.1107/S0108270192003378

0.71073

Mo

null

has coordinates

Larsen, I. K.; Andersen, L. A.; Pedersen, B. F. Structures of two crystalline modifications of lapachol Acta Crystallographica Section C 48(11) (1992) 2009-2013

301,791

2025-08-18

23:14:59

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/04/2000456.cif $ #-------------------------------------------------------------------...

2,000,457

12.619

0.001

8.285

0.001

16.469

0.001

90

null

94.39

0.06

90

null

1,716.8

0.3

null

4

P 1 21/n 1

-P 2yn

14

- C20 H17 N3 O2 -

- C80 H68 N12 O8 -

4

1

GE0305

Carugo, O.; Poli, G.; Manzoni, L.

Structure of N,N',N''-triphenylbiuret

Acta Crystallographica Section C

1,992

48

11

2013

2016

10.1107/S0108270192003858

1.54184

Cu

null

has coordinates

Carugo, O.; Poli, G.; Manzoni, L. Structure of N,N',N''-triphenylbiuret Acta Crystallographica Section C 48(11) (1992) 2013-2016

301,791

2025-08-18

23:14:59

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/04/2000457.cif $ #-------------------------------------------------------------------...

7,205,852

11.1668

0.0011

12.4554

0.0012

22.2593

0.0015

101.986

0.001

103.319

0.002

95.548

0.001

2,912.9

0.4

291

2

291

2

null

6

P -1

-P 1

2

- C72 H74 Co2 Eu4 N18 O61 -

1

0.5

Liu, Hai-Yang; Yuan, Yong-Jun; Yu, Zhen-Tao; Zou, Zhi-Gang

Direct assembly of new cobalt(iii)-lanthanide(iii) heterometallic frameworks with NaCl-like topology

CrystEngComm

2,011

13

7

2391

10.1039/c0ce00881h

0.71073

MoKα

0.0629

0.0438

null

0.1045

0.1095

null

1.088

null

has coordinates

Liu, Hai-Yang; Yuan, Yong-Jun; Yu, Zhen-Tao; Zou, Zhi-Gang Direct assembly of new cobalt(iii)-lanthanide(iii) heterometallic frameworks with NaCl-like topology CrystEngComm 13(7) (2011) 2391

198,633

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-07-11 15:10:40 +0300 (Tue, 11 Jul 2017) $ #$Revision: 198633 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/58/7205852.cif $ #-------------------------------------------------------------------...

2,000,458

11.004

0.001

12.6209

0.0009

9.692

0.0008

90

null

108.224

0.007

90

null

1,278.51

0.19

null

3

P 1 21/n 1

-P 2yn

14

- C16 H12 O4 -

- C64 H48 O16 -

4

1

AS0554

Matsuzawa, E. S.; Hirayama, N.; Ohshima, E.; Obase, H.

Structural aspects of the 6,11-dihydro-11-oxodibenz[b,e]oxepin skeleton

Acta Crystallographica Section C

1,992

48

11

2016

2019

10.1107/S0108270192002701

1.54184

Cu

null

has coordinates

Matsuzawa, E. S.; Hirayama, N.; Ohshima, E.; Obase, H. Structural aspects of the 6,11-dihydro-11-oxodibenz[b,e]oxepin skeleton Acta Crystallographica Section C 48(11) (1992) 2016-2019

301,791

2025-08-18

23:14:59

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/04/2000458.cif $ #-------------------------------------------------------------------...

2,000,459

13.644

0.001

8.878

0.001

13

0.002

90

null

117.1

0.01

90

null

1,401.8

0.3

null

3

P 1 21/c 1

-P 2ybc

null

- C17 H14 O4 -

- C68 H56 O16 -

4

1

AS0554

Matsuzawa, E. S.; Hirayama, N.; Ohshima, E.; Obase, H.

Structural aspects of the 6,11-dihydro-11-oxodibenz[b,e]oxepin skeleton

Acta Crystallographica Section C

1,992

48

11

2016

2019

10.1107/S0108270192002701

1.54184

Cu

null

has coordinates

Matsuzawa, E. S.; Hirayama, N.; Ohshima, E.; Obase, H. Structural aspects of the 6,11-dihydro-11-oxodibenz[b,e]oxepin skeleton Acta Crystallographica Section C 48(11) (1992) 2016-2019

301,791

2025-08-18

23:14:59

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/04/2000459.cif $ #-------------------------------------------------------------------...

2,000,460

10.177

0.001

10.63

0.001

7.776

0.001

103.72

0.01

100.7

0.01

107.85

0.01

746.9

0.16

null

3

P -1

-P 1

2

- C18 H16 O4 -

- C36 H32 O8 -

2

1

AS0554

Matsuzawa, E. S.; Hirayama, N.; Ohshima, E.; Obase, H.

Structural aspects of the 6,11-dihydro-11-oxodibenz[b,e]oxepin skeleton

Acta Crystallographica Section C

1,992

48

11

2016

2019

10.1107/S0108270192002701

1.54184

Cu

null

has coordinates

Matsuzawa, E. S.; Hirayama, N.; Ohshima, E.; Obase, H. Structural aspects of the 6,11-dihydro-11-oxodibenz[b,e]oxepin skeleton Acta Crystallographica Section C 48(11) (1992) 2016-2019

301,791

2025-08-18

23:14:59

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/04/2000460.cif $ #-------------------------------------------------------------------...

2,000,461

9.962

0.004

6.711

0.002

12.339

0.005

90

null

96.76

0.03

90

null

819.2

0.5

null

4

P 1 21/n 1

-P 2yn

14

- C10 Co4 O10 S2 -

- C20 Co8 O20 S4 -

2

0.5

AL1006

Mackay, K. M.; Nicholson, B. K.; van Tiel, M. L.

Redetermination of decacarbonyl di-μ~4~-sulfido-tetracobalt

Acta Crystallographica Section C

1,992

48

11

2020

2021

10.1107/S0108270192003433

0.7107

Mo

null

has coordinates

Mackay, K. M.; Nicholson, B. K.; van Tiel, M. L. Redetermination of decacarbonyl di-μ~4~-sulfido-tetracobalt Acta Crystallographica Section C 48(11) (1992) 2020-2021

278,324

2022-10-03

14:41:52

#------------------------------------------------------------------------------ #$Date: 2022-10-03 17:40:12 +0300 (Mon, 03 Oct 2022) $ #$Revision: 278324 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/04/2000461.cif $ #-------------------------------------------------------------------...

7,205,851

11.2397

0.0008

12.4964

0.0009

22.302

0.0016

102.114

0.001

103.41

0.002

95.597

0.001

2,943.8

0.4

291

2

291

2

null

6

P -1

-P 1

2

- C72 H74 Co2 N18 O61 Sm4 -

1

0.5

Liu, Hai-Yang; Yuan, Yong-Jun; Yu, Zhen-Tao; Zou, Zhi-Gang

Direct assembly of new cobalt(iii)-lanthanide(iii) heterometallic frameworks with NaCl-like topology

CrystEngComm

2,011

13

7

2391

10.1039/c0ce00881h

0.71073

MoKα

0.0572

0.0373

null

0.085

0.0897

null

1.004

null

has coordinates

Liu, Hai-Yang; Yuan, Yong-Jun; Yu, Zhen-Tao; Zou, Zhi-Gang Direct assembly of new cobalt(iii)-lanthanide(iii) heterometallic frameworks with NaCl-like topology CrystEngComm 13(7) (2011) 2391

180,389

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-26 17:21:16 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180389 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/58/7205851.cif $ #-------------------------------------------------------------------...

2,000,462

11.57

0.003

12.725

0.003

5.79

0.004

101.28

0.03

102.35

0.04

70.01

0.03

775.6

0.6

null

6

P -1

-P 1

2

- C12 H17 N4 Na O4 S -

- C24 H34 N8 Na2 O8 S2 -

2

1

AS0507

Hannan, S. S.; Talukdar, A. N.

Structure of monosodium N^1^-(4,6-dimethyl-2-pyrimidyl)sulfanilamidate dihydrate

Acta Crystallographica Section C

1,992

48

11

2021

2023

10.1107/S0108270192002695

1.5418

Cu

null

has coordinates

Hannan, S. S.; Talukdar, A. N. Structure of monosodium N^1^-(4,6-dimethyl-2-pyrimidyl)sulfanilamidate dihydrate Acta Crystallographica Section C 48(11) (1992) 2021-2023

301,791

2025-08-18

23:14:59

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/04/2000462.cif $ #-------------------------------------------------------------------...

2,000,463

10.719

0.003

7.648

0.002

12.224

0.003

90

null

110.32

0.02

90

null

939.7

0.4

null

4

P 1 21/n 1

-P 2yn

14

- C12 H34 Al2 N2 -

- C24 H68 Al4 N4 -

2

0.5

ST0555

Byers, J. J.; Pennington, W. T.; Robinson, G. H.

Bis-adducts of trimethylaluminium and trimethylgallium with N,N,N',N'-tetramethylethylenediamine

Acta Crystallographica Section C

1,992

48

11

2023

2025

10.1107/S0108270192001495

0.71073

Mo

null

has coordinates

Byers, J. J.; Pennington, W. T.; Robinson, G. H. Bis-adducts of trimethylaluminium and trimethylgallium with N,N,N',N'-tetramethylethylenediamine Acta Crystallographica Section C 48(11) (1992) 2023-2025

278,324

2022-10-03

14:41:52

#------------------------------------------------------------------------------ #$Date: 2022-10-03 17:40:12 +0300 (Mon, 03 Oct 2022) $ #$Revision: 278324 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/04/2000463.cif $ #-------------------------------------------------------------------...

2,000,464

10.735

0.003

7.656

0.002

12.31

0.004

90

null

110.7

0.02

90

null

946.4

0.5

null

4

P 1 21/n 1

-P 2yn

14

- C12 H34 Ga2 N2 -

- C24 H68 Ga4 N4 -

2

0.5

ST0555

Byers, J. J.; Pennington, W. T.; Robinson, G. H.

Bis-adducts of trimethylaluminium and trimethylgallium with N,N,N',N'-tetramethylethylenediamine

Acta Crystallographica Section C

1,992

48

11

2023

2025

10.1107/S0108270192001495

0.71073

Mo

null

has coordinates

Byers, J. J.; Pennington, W. T.; Robinson, G. H. Bis-adducts of trimethylaluminium and trimethylgallium with N,N,N',N'-tetramethylethylenediamine Acta Crystallographica Section C 48(11) (1992) 2023-2025

278,324

2022-10-03

14:41:52

#------------------------------------------------------------------------------ #$Date: 2022-10-03 17:40:12 +0300 (Mon, 03 Oct 2022) $ #$Revision: 278324 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/04/2000464.cif $ #-------------------------------------------------------------------...

2,000,465

16.525

0.002

15.386

0.002

19.751

0.002

90

null

113.82

0.01

90

null

4,594

1

null

6

P 1 21/a 1

-P 2yab

14

- C25 H21 N O2 S Sn -

- C200 H168 N8 O16 S8 Sn8 -

8

2

AS0579

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

Structure of triphenyltin 2-(4-pyridylthio)acetate

Acta Crystallographica Section C

1,992

48

11

2025

2026

10.1107/S0108270192002609

0.71073

Mo

null

has coordinates

Ng, S. W.; Kumar Das, V. G. Structure of triphenyltin 2-(4-pyridylthio)acetate Acta Crystallographica Section C 48(11) (1992) 2025-2026

208,452

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2018-06-17 09:03:28 +0300 (Sun, 17 Jun 2018) $ #$Revision: 208452 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/04/2000465.cif $ #-------------------------------------------------------------------...

7,205,850

11.0396

0.0013

12.511

0.0016

22.498

0.002

101.492

0.002

102.416

0.003

95.975

0.002

2,938.6

0.6

291

2

291

2

null

6

P -1

-P 1

2

- C72 H74 Co2 La4 N18 O61 -

1

0.5

Liu, Hai-Yang; Yuan, Yong-Jun; Yu, Zhen-Tao; Zou, Zhi-Gang

Direct assembly of new cobalt(iii)-lanthanide(iii) heterometallic frameworks with NaCl-like topology

CrystEngComm

2,011

13

7

2391

10.1039/c0ce00881h

0.71073

MoKα

0.079

0.0547

null

0.1132

0.1187

null

1.046

null

has coordinates

Liu, Hai-Yang; Yuan, Yong-Jun; Yu, Zhen-Tao; Zou, Zhi-Gang Direct assembly of new cobalt(iii)-lanthanide(iii) heterometallic frameworks with NaCl-like topology CrystEngComm 13(7) (2011) 2391

180,389

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-26 17:21:16 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180389 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/58/7205850.cif $ #-------------------------------------------------------------------...

2,000,466

7.083

0.001

9.359

0.001

9.809

0.002

89.92

0.01

81.46

0.02

80.66

0.01

634.33

0.18

null

6

P -1

-P 1

2

- C6 H13 N4 Na O7 S2 -

- C12 H26 N8 Na2 O14 S4 -

2

1

GE0303

Pecorari, P.; Rinaldi, M.; Antolini, L.

Structure of sodium (7-amino-2,3-dihydro-5-oxo-5H-thiazolo[3,2-a]pyrimidin-6-yl)sulfamate trihydrate

Acta Crystallographica Section C

1,992

48

11

2027

2029

10.1107/S0108270192002622

0.7107

Mo

null

has coordinates,has disorder

Pecorari, P.; Rinaldi, M.; Antolini, L. Structure of sodium (7-amino-2,3-dihydro-5-oxo-5H-thiazolo[3,2-a]pyrimidin-6-yl)sulfamate trihydrate Acta Crystallographica Section C 48(11) (1992) 2027-2029

208,360

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2018-06-14 04:32:00 +0300 (Thu, 14 Jun 2018) $ #$Revision: 208360 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/04/2000466.cif $ #-------------------------------------------------------------------...

2,000,467

11.278

0.005

15.195

0.005

19.92

0.01

90

null

91.6

0.04

90

null

3,412

3

null

5

P 1 21 1

null

- C50 H77 N15 O31 Pt5 -

- C50 H50 N15 O31 Pt5 -

- C100 H100 N30 O62 Pt10 -

2

1

DU0338

Khodadad, P.; Rodier, N.

Penta[bis(5-oxoprolinato)platinate(II) d'ammonium] monohydrate

Acta Crystallographica Section C

1,992

48

11

2029

2031

10.1107/S0108270192003275

0.7107

Mo

null

has coordinates

Khodadad, P.; Rodier, N. Penta[bis(5-oxoprolinato)platinate(II) d'ammonium] monohydrate Acta Crystallographica Section C 48(11) (1992) 2029-2031

176,759

2020-10-21

18:00:00

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2,000,468

17.426

0.011

6.945

0.01

6.816

0.002

90

null

90

null

90

null

824.9

1.3

null

6

P n m a

-P 2ac 2n

62

- C6 H5 F3 N2 O S -

- C24 H20 F12 N8 O4 S4 -

4

0.5

HA0110

Tinant, B.; Feneau-Dupont, J.; Declercq, J.-P.; Evariste, F.; Viehe, H. G.

3-Methyl-2-thioxo-6-trifluoromethyl-2,3-dihydro-4(1H)-pyrimidinone

Acta Crystallographica Section C

1,992

48

11

2032

2033

10.1107/S0108270192002440

0.71069

Mo

null

has coordinates

Tinant, B.; Feneau-Dupont, J.; Declercq, J.-P.; Evariste, F.; Viehe, H. G. 3-Methyl-2-thioxo-6-trifluoromethyl-2,3-dihydro-4(1H)-pyrimidinone Acta Crystallographica Section C 48(11) (1992) 2032-2033

301,791

2025-08-18

23:14:59

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2,000,469

7.296

0.001

13.099

0.002

15.754

0.002

90

null

90

null

90

null

1,505.6

0.4

null

3

P 21 21 21

P 2ac 2ab

19

- C18 H16 O5 -

- C72 H64 O20 -

4

1

CR0410

Shoja, M.

4',6,7-Trimethoxyisoflavone

Acta Crystallographica Section C

1,992

48

11

2033

2035

10.1107/S010827019200249X

1.5418

Cu

null

has coordinates

Shoja, M. 4',6,7-Trimethoxyisoflavone Acta Crystallographica Section C 48(11) (1992) 2033-2035

301,791

2025-08-18

23:14:59

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/04/2000469.cif $ #-------------------------------------------------------------------...

2,000,470

9.777

0.001

10.211

0.001

22.585

0.002

90

null

90

null

90

null

2,254.7

0.4

null

4

P 21 21 21

P 2ac 2ab

null

- C26 H29 N O2 -

- C104 H116 N4 O8 -

4

1

SE1000

Dyrbusch, M.; Egert, E.

Structure of a cinnamic acid derivative

Acta Crystallographica Section C

1,992

48

11

2035

2036

10.1107/S0108270192002221

0.7107

Mo

null

has coordinates

Dyrbusch, M.; Egert, E. Structure of a cinnamic acid derivative Acta Crystallographica Section C 48(11) (1992) 2035-2036

301,791

2025-08-18

23:14:59

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/04/2000470.cif $ #-------------------------------------------------------------------...

7,205,849

11.145

0.0015

12.424

0.002

22.18

0.0012

102.016

0.002

103.475

0.003

95.419

0.002

2,888

0.6

291

2

291

2

null

6

P -1

-P 1

2

- C72 H74 Co2 Gd4 N18 O61 -

1

0.5

Liu, Hai-Yang; Yuan, Yong-Jun; Yu, Zhen-Tao; Zou, Zhi-Gang

Direct assembly of new cobalt(iii)-lanthanide(iii) heterometallic frameworks with NaCl-like topology

CrystEngComm

2,011

13

7

2391

10.1039/c0ce00881h

0.71073

MoKα

0.0825

0.0538

null

0.1111

0.1171

null

1.02

null

has coordinates

Liu, Hai-Yang; Yuan, Yong-Jun; Yu, Zhen-Tao; Zou, Zhi-Gang Direct assembly of new cobalt(iii)-lanthanide(iii) heterometallic frameworks with NaCl-like topology CrystEngComm 13(7) (2011) 2391

180,389

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-26 17:21:16 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180389 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/58/7205849.cif $ #-------------------------------------------------------------------...

2,000,471

17.397

0.004

5.865

0.002

13.482

0.005

90

null

104.26

0.02

90

null

1,333.2

0.7

null

5

P 1 21/c 1

-P 2ybc

14

- C14 H15 Cl N2 O2 -

- C56 H60 Cl4 N8 O8 -

4

1

CR0409

Bryant, Jnr, G. L.; King, Jnr, J. A.

Structures of two acylpyridinium salts and one simple pyridinium salt

Acta Crystallographica Section C

1,992

48

11

2036

2039

10.1107/S0108270192002403

0.71069

Mo

null

has coordinates

Bryant, Jnr, G. L.; King, Jnr, J. A. Structures of two acylpyridinium salts and one simple pyridinium salt Acta Crystallographica Section C 48(11) (1992) 2036-2039

301,791

2025-08-18

23:14:59

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/04/2000471.cif $ #-------------------------------------------------------------------...

2,000,472

9.086

0.002

9.328

0.002

19.494

0.005

79.03

0.02

78.83

0.02

64.53

0.02

1,452.7

0.6

null

5

P -1

-P 1

2

- C38 H35 B N2 O -

- C76 H70 B2 N4 O2 -

2

1

CR0409

Bryant, Jnr, G. L.; King, Jnr, J. A.

Structures of two acylpyridinium salts and one simple pyridinium salt

Acta Crystallographica Section C

1,992

48

11

2036

2039

10.1107/S0108270192002403

0.71069

Mo

null

has coordinates

Bryant, Jnr, G. L.; King, Jnr, J. A. Structures of two acylpyridinium salts and one simple pyridinium salt Acta Crystallographica Section C 48(11) (1992) 2036-2039

301,791

2025-08-18

23:14:59

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/04/2000472.cif $ #-------------------------------------------------------------------...

2,000,473

17.113

0.003

7.46

0.002

14.57

0.003

90

null

120.84

0.01

90

null

1,597

0.6

null

4

C 1 2/c 1

-C 2yc

15

- C7 H11 Cl N2 -

- C56 H88 Cl8 N16 -

8

1

CR0409

Bryant, Jnr, G. L.; King, Jnr, J. A.

Structures of two acylpyridinium salts and one simple pyridinium salt

Acta Crystallographica Section C

1,992

48

11

2036

2039

10.1107/S0108270192002403

0.71069

Mo

null

has coordinates

Bryant, Jnr, G. L.; King, Jnr, J. A. Structures of two acylpyridinium salts and one simple pyridinium salt Acta Crystallographica Section C 48(11) (1992) 2036-2039

301,791

2025-08-18

23:14:59

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/04/2000473.cif $ #-------------------------------------------------------------------...

2,000,474

9.019

0.001

14.522

0.001

6.059

0.001

90

null

90

null

90

null

793.57

0.17

null

4

P 21 21 21

P 2ac 2ab

19

- C5 H10 O3 S2 -

- C20 H40 O12 S8 -

4

1

LI0123

Barkley, J.; Dodd, I. M.; Harding, M. M.; Namwindwa, E. S.; Page, P. C. B.

anti-2-Methyl-1,3-dithiane 1,1,3-trioxide

Acta Crystallographica Section C

1,992

48

11

2039

2040

10.1107/S0108270192002749

0.71069

Mo

null

has coordinates

Barkley, J.; Dodd, I. M.; Harding, M. M.; Namwindwa, E. S.; Page, P. C. B. anti-2-Methyl-1,3-dithiane 1,1,3-trioxide Acta Crystallographica Section C 48(11) (1992) 2039-2040

301,791

2025-08-18

23:14:59

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/04/2000474.cif $ #-------------------------------------------------------------------...

2,000,475

13.343

0.007

21.991

0.005

10.462

0.003

90

null

90

null

90

null

3,070

2

null

4

P b c a

-P 2ac 2ab

null

- C8 H0 F4 N2 -

- C8 F4 N2 -

- C128 F64 N32 -

16

2

CR0414

Britton, D.

Structure of tetrafluoroisophthalonitrile

Acta Crystallographica Section C

1,992

48

11

2040

2042

10.1107/S0108270192002567

0.71073

Mo

null

has coordinates

Britton, D. Structure of tetrafluoroisophthalonitrile Acta Crystallographica Section C 48(11) (1992) 2040-2042

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/2/00/04/2000475.cif $ #-------------------------------------------------------------------...

2,000,476

4.722

0.002

12.284

0.005

17.638

0.011

90

null

90

null

90

null

1,023.1

0.9

null

4

P 21 21 21

P 2ac 2ab

null

- C12 H10 N2 O -

- C48 H40 N8 O4 -

4

1

ST0559

Orr, Jnr, L. B.; Parsons, E. J.; Pennington, W. T.

2-{[(o-Hydroxyphenyl)imino]methyl}pyridine

Acta Crystallographica Section C

1,992

48

11

2042

2043

10.1107/S0108270192001483

0.71073

Mo

null

has coordinates

Orr, Jnr, L. B.; Parsons, E. J.; Pennington, W. T. 2-{[(o-Hydroxyphenyl)imino]methyl}pyridine Acta Crystallographica Section C 48(11) (1992) 2042-2043

301,791

2025-08-18

23:14:59

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/04/2000476.cif $ #-------------------------------------------------------------------...

7,205,848

11.682

0.002

15.1662

0.0015

15.468

0.002

96.085

0.002

109.65

0.003

90.622

0.002

2,563.2

0.6

291

2

291

2

null

5

P -1

-P 1

2

- C48 H34 Co2 N8 O20 -

- C96 H68 Co4 N16 O40 -

2

1

Liu, Hai-Yang; Yuan, Yong-Jun; Yu, Zhen-Tao; Zou, Zhi-Gang

Direct assembly of new cobalt(iii)-lanthanide(iii) heterometallic frameworks with NaCl-like topology

CrystEngComm

2,011

13

7

2391

10.1039/c0ce00881h

0.71073

MoKα

0.0755

0.0592

null

0.1391

0.1443

null

1.095

null

has coordinates

Liu, Hai-Yang; Yuan, Yong-Jun; Yu, Zhen-Tao; Zou, Zhi-Gang Direct assembly of new cobalt(iii)-lanthanide(iii) heterometallic frameworks with NaCl-like topology CrystEngComm 13(7) (2011) 2391

180,389

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-26 17:21:16 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180389 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/58/7205848.cif $ #-------------------------------------------------------------------...

2,000,477

15.96

0.01

5.339

0.005

16.97

0.02

90

null

117.43

0.06

90

null

1,283

2

null

3

P 1 21/n 1

-P 2yn

14

- C16 H24 O -

- C64 H96 O4 -

4

1

SE1003

Nieger, M.; Egert, E.

Structure of an epoxytetradecahydropyrene

Acta Crystallographica Section C

1,992

48

11

2044

2045

10.1107/S0108270192003160

0.7107

Mo

null

has coordinates

Nieger, M.; Egert, E. Structure of an epoxytetradecahydropyrene Acta Crystallographica Section C 48(11) (1992) 2044-2045

301,791

2025-08-18

23:14:59

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/04/2000477.cif $ #-------------------------------------------------------------------...

2,000,478

5.187

0.003

14.362

0.005

19.845

0.004

90

null

93.42

0.04

90

null

1,475.7

1

null

4

P 1 21/c 1

-P 2ybc

14

- C7 H7 N3 O -

- C56 H56 N24 O8 -

8

2

AS0594

Okabe, N.; Kisaichi, H.

Structure of phenylazocarboxamide

Acta Crystallographica Section C

1,992

48

11

2047

2049

10.1107/S0108270192003081

1.54178

Cu

null

has coordinates

Okabe, N.; Kisaichi, H. Structure of phenylazocarboxamide Acta Crystallographica Section C 48(11) (1992) 2047-2049

301,791

2025-08-18

23:14:59

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/04/2000478.cif $ #-------------------------------------------------------------------...

2,000,479

6.628

0.004

21.495

0.006

23.526

0.006

90

null

90

null

90

null

3,352

2

null

6

C m c a

null

- C16 H12 F6 O2 P S2 -

- C16 H12 F12 O2 P S2 -

- C128 H96 F96 O16 P8 S16 -

8

null

AB0275

Thorup, N.; Frederiksen, P.; Bechgaard, K.

Structure of the cation radical salt 3,8-dimethoxy-1,6-dithiapyrenium hexafluorophosphate

Acta Crystallographica Section C

1,992

48

11

2049

2051

10.1107/S0108270192002683

0.71073

Mo

null

has coordinates

Thorup, N.; Frederiksen, P.; Bechgaard, K. Structure of the cation radical salt 3,8-dimethoxy-1,6-dithiapyrenium hexafluorophosphate Acta Crystallographica Section C 48(11) (1992) 2049-2051

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/2/00/04/2000479.cif $ #-------------------------------------------------------------------...

2,000,480

10.667

0.002

16.552

0.005

8.116

0.001

90

null

90

null

90

null

1,433

0.5

null

4

P 21 21 21

P 2ac 2ab

null

- C15 H24 N2 O2 -

- C60 H96 N8 O8 -

4

1

CR0413

Khan, M. A.; Burrows, G. E.; Holt, E. M.

(5α,6α,7α,11β)-Δ^13,14^-Sophocarpine monohydrate

Acta Crystallographica Section C

1,992

48

11

2051

2053

10.1107/S0108270192003500

0.71069

Mo

null

has coordinates

Khan, M. A.; Burrows, G. E.; Holt, E. M. (5α,6α,7α,11β)-Δ^13,14^-Sophocarpine monohydrate Acta Crystallographica Section C 48(11) (1992) 2051-2053

301,791

2025-08-18

23:14:59

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/04/2000480.cif $ #-------------------------------------------------------------------...

2,000,481

7.7464

0.0004

12.214

0.001

7.8813

0.0009

88.78

0.01

119.255

0.006

103.803

0.007

627.78

0.11

null

4

P -1

-P 1

2

- C15 H12 N2 O2 -

- C30 H24 N4 O4 -

2

1

PA0274

Rodier, N.; Robert, J.-M.; Leblois, D.; Le Baut, G.

Structure cristalline d'un N-azaarylphtalimide à activité anti-inflammatoire, le 2-(4,6-diméthylpyridin-2-yl)-2,3-dihydro-1H-isoindole-1,3-dione

Acta Crystallographica Section C

1,992

48

11

2053

2054

10.1107/S0108270192002415

1.5418

Cu

null

has coordinates

Rodier, N.; Robert, J.-M.; Leblois, D.; Le Baut, G. Structure cristalline d'un N-azaarylphtalimide à activité anti-inflammatoire, le 2-(4,6-diméthylpyridin-2-yl)-2,3-dihydro-1H-isoindole-1,3-dione Acta Crystallographica Section C 48(11) (1992) 2053-2054

301,791

2025-08-18

23:14:59

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/04/2000481.cif $ #-------------------------------------------------------------------...

2,000,482

10.485

0.005

16.892

0.008

19.75

0.006

90

null

90

null

90

null

3,498

3

null

4

P 21 21 21

P 2ac 2ab

19

- C20 H26 N2 O -

- C160 H208 N16 O8 -

8

2

AL0529

Soriano-García, M.

Structure of ibogaine

Acta Crystallographica Section C

1,992

48

11

2055

2057

10.1107/S0108270192002786

0.7107

Mo

null

has coordinates

Soriano-García, M. Structure of ibogaine Acta Crystallographica Section C 48(11) (1992) 2055-2057

301,791

2025-08-18

23:14:59

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/04/2000482.cif $ #-------------------------------------------------------------------...

7,205,847

10.677

0.002

10.741

0.002

12.069

0.002

81.66

0.03

89.72

0.03

68.68

0.03

1,274

0.5

150

2

150

2

null

5

P -1

-P 1

2

- C21 H36 N2 O10 Zn -

- C42 H72 N4 O20 Zn2 -

2

1

Wang, Xin; Yao, Wei; Qi, Yan-Fei; Luo, Ming-Fa; Wang, Yong-Hui; Xie, Hong-Wei; Yu, Yang; Ma, Rui-Ying; Li, Yang-Guang

From ladder, net to framework: Coordination polymers based on Zn(ii)/Cd(ii) ions and mixed bicarboxyl- and bipyridine-containing linear ligands

CrystEngComm

2,011

13

7

2542

10.1039/c0ce00878h

0.71073

MoKα

0.0585

0.0441

null

0.1115

0.1197

null

1.047

null

has coordinates

Wang, Xin; Yao, Wei; Qi, Yan-Fei; Luo, Ming-Fa; Wang, Yong-Hui; Xie, Hong-Wei; Yu, Yang; Ma, Rui-Ying; Li, Yang-Guang From ladder, net to framework: Coordination polymers based on Zn(ii)/Cd(ii) ions and mixed bicarboxyl- and bipyridine-containing linear ligands CrystEngComm 13(7) (2011) 2542

180,389

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-26 17:21:16 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180389 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/58/7205847.cif $ #-------------------------------------------------------------------...

2,000,483

7.652

0.002

10.398

0.001

11.135

0.002

90

null

96.8

0.01

90

null

879.7

0.3

null

5

P 1 21/n 1

-P 2yn

14

- C6 H11 N3 O2 S -

- C24 H44 N12 O8 S4 -

4

1

AS0572

Ng, S. W.

Structure of 2-[1-(2-carboxyethyl)ethylidene]hydrazinecarbothioamide

Acta Crystallographica Section C

1,992

48

11

2057

2058

10.1107/S0108270192002592

0.71073

Mo

null

has coordinates

Ng, S. W. Structure of 2-[1-(2-carboxyethyl)ethylidene]hydrazinecarbothioamide Acta Crystallographica Section C 48(11) (1992) 2057-2058

301,791

2025-08-18

23:14:59

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/04/2000483.cif $ #-------------------------------------------------------------------...

2,000,484

11.336

0.002

10.134

0.003

20.275

0.003

90

null

90

null

90

null

2,329.2

0.9

null

4

P b c a

null

- C12 H5 N3 O6 -

- C96 H40 N24 O48 -

8

1

AL0528

Du, M.-H.; Hitchcock, P. B.

1,3-Dinitropyrrolo[1,2-b]isoquinoline-5,10-dione

Acta Crystallographica Section C

1,992

48

11

2058

2060

10.1107/S0108270192002774

0.71069

Mo

null

has coordinates

Du, M.-H.; Hitchcock, P. B. 1,3-Dinitropyrrolo[1,2-b]isoquinoline-5,10-dione Acta Crystallographica Section C 48(11) (1992) 2058-2060

301,791

2025-08-18

23:14:59

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/04/2000484.cif $ #-------------------------------------------------------------------...

2,000,485

16.2

0.002

7.182

0.002

13.758

0.002

90

null

126.99

0.01

90

null

1,278.6

0.5

null

3

C 1 2/m 1

-C 2y

null

- C14 H20 O2 -

- C56 H80 O8 -

4

0.5

DU0326

Bois, C.; Martin, R.

Structure of 1-[3-(1,1-dimethylethyl)-2-hydroxy-6-methylphenyl]-1-propanone

Acta Crystallographica Section C

1,992

48

11

2060

2061

10.1107/S0108270192003524

0.7107

Mo

null

has coordinates

Bois, C.; Martin, R. Structure of 1-[3-(1,1-dimethylethyl)-2-hydroxy-6-methylphenyl]-1-propanone Acta Crystallographica Section C 48(11) (1992) 2060-2061

301,791

2025-08-18

23:14:59

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/04/2000485.cif $ #-------------------------------------------------------------------...

2,000,486

14.075

0.002

14.075

0.002

10.115

0.002

90

null

90

null

120

null

1,735.4

0.5

293

null

4

P 31

null

- Er0.05 F4 K Y0.95 -

- F4 K Y -

- F72 K18 Y18 -

18

6

DU1003

Le Fur, Y.; Khaidukov, N. M.; Aléonard, S.

Structure of KY~0.95~Er~0.05~F~4~

Acta Crystallographica Section C

1,992

48

11

2062

2064

10.1107/S010827019200461X

0.5608

AgKα

null

0.032

null

0.035

null

3.494

null

has coordinates

Le Fur, Y.; Khaidukov, N. M.; Aléonard, S. Structure of KY~0.95~Er~0.05~F~4~ Acta Crystallographica Section C 48(11) (1992) 2062-2064

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/2/00/04/2000486.cif $ #-------------------------------------------------------------------...

2,000,487

4.6445

0.0007

4.6445

0.0007

9.354

0.002

90

null

90

null

120

null

174.75

0.05

293

1

293

1

null

3

P 63/m m c

-P 6c 2c

194

- In La Pd2 -

- In2 La2 Pd4 -

2

0.083333

SH1014

Xue, B.; Schwer, H.; Hulliger, F.

Structure of LaPd~2~In

Acta Crystallographica Section C

1,992

48

11

2064

2065

10.1107/S0108270192007303

0.71073

MoKα

0.0377

0.0369

null

0.0977

0.0974

null

1.565

1.572

null

has coordinates

Xue, B.; Schwer, H.; Hulliger, F. Structure of LaPd~2~In Acta Crystallographica Section C 48(11) (1992) 2064-2065

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/2/00/04/2000487.cif $ #-------------------------------------------------------------------...

2,000,488

6.077

0.001

6.077

0.001

36.659

0.006

90

null

90

null

120

null

1,172.4

0.3

293

null

3

R -3 m :H

-R 3 2"

166

- Al13.4 Ba15 Ga14.5 -

- Al2.07 Ba15 Ga7.86 -

1

0.027778

NA1010

Fornasini, M. L.; Pani, M.

Ba~15~Al~13.4~Ga~14.5~, a disordered structure derived from Sr~5~Al~9~

Acta Crystallographica Section C

1,992

48

11

2067

2069

10.1107/S0108270192007534

0.7107

MoKα

null

0.053

null

0.081

null

5.8

null

has coordinates

Fornasini, M. L.; Pani, M. Ba~15~Al~13.4~Ga~14.5~, a disordered structure derived from Sr~5~Al~9~ Acta Crystallographica Section C 48(11) (1992) 2067-2069

203,894

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-12-03 04:36:17 +0200 (Sun, 03 Dec 2017) $ #$Revision: 203894 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/04/2000488.cif $ #-------------------------------------------------------------------...

2,000,489

15.81

0.003

6.052

0.001

10.482

0.002

90.79

0.03

102.31

0.03

89.13

0.03

979.7

0.3

296

null

4

C -1

-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)

2

- H13 N3 O8 Se2 -

- H14 N3 O8 Se2 -

- H56 N12 O32 Se8 -

4

null

NA1004

Pietraszko, A.; Łukaszewicz, K.; Augustyniak, M. A.

Structure of phase III of (NH~4~)~3~H(SeO~4~)~2~

Acta Crystallographica Section C

1,992

48

11

2069

2071

10.1107/S0108270192005006

0.71073

MoKα

null

0.0283

null

0.0343

null

1.1617

null

has coordinates

Pietraszko, A.; Łukaszewicz, K.; Augustyniak, M. A. Structure of phase III of (NH~4~)~3~H(SeO~4~)~2~ Acta Crystallographica Section C 48(11) (1992) 2069-2071

203,573

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-11-26 02:15:28 +0200 (Sun, 26 Nov 2017) $ #$Revision: 203573 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/04/2000489.cif $ #-------------------------------------------------------------------...

2,000,490

19.975

0.007

8.377

0.003

16.234

0.006

90

null

103.59

0.04

90

null

2,640.4

1.7

294

null

6

P 1 21/c 1

-P 2ybc

null

- C18 H32 Br3 N6 O3 Rh -

- C72 H128 Br12 N24 O12 Rh4 -

4

1

HH1011

Schaefer, W. P.; Krotz, A. H.; Kuo, L. Y.; Shields, T. P.; Barton, J. K.

Metallointercalators: structure of rac-bis(ethylenediamine)(9,10-phenanthrenequinone diimine)rhodium(III) tribromide trihydrate

Acta Crystallographica Section C

1,992

48

11

2071

2073

10.1107/S0108270192006917

0.71073

MoKα

null

0.015

null

1.16

null

has coordinates

Schaefer, W. P.; Krotz, A. H.; Kuo, L. Y.; Shields, T. P.; Barton, J. K. Metallointercalators: structure of rac-bis(ethylenediamine)(9,10-phenanthrenequinone diimine)rhodium(III) tribromide trihydrate Acta Crystallographica Section C 48(11) (1992) 2071-2073

301,791

2025-08-18

23:14:59

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/04/2000490.cif $ #-------------------------------------------------------------------...

7,205,846

16.91

0.003

5.8674

0.0012

17.368

0.003

90

null

108.49

0.03

90

null

1,634.3

0.6

150

2

150

2

null

5

P 1 2/c 1

-P 2yc

13

- C16 H22 Cd N2 O5 -

- C16 H20 Cd N2 O5 -

- C64 H80 Cd4 N8 O20 -

4

1

Wang, Xin; Yao, Wei; Qi, Yan-Fei; Luo, Ming-Fa; Wang, Yong-Hui; Xie, Hong-Wei; Yu, Yang; Ma, Rui-Ying; Li, Yang-Guang

From ladder, net to framework: Coordination polymers based on Zn(ii)/Cd(ii) ions and mixed bicarboxyl- and bipyridine-containing linear ligands

CrystEngComm

2,011

13

7

2542

10.1039/c0ce00878h

0.71073

MoKα

0.0333

0.0266

null

0.0644

0.0656

null

1.098

null

has coordinates

Wang, Xin; Yao, Wei; Qi, Yan-Fei; Luo, Ming-Fa; Wang, Yong-Hui; Xie, Hong-Wei; Yu, Yang; Ma, Rui-Ying; Li, Yang-Guang From ladder, net to framework: Coordination polymers based on Zn(ii)/Cd(ii) ions and mixed bicarboxyl- and bipyridine-containing linear ligands CrystEngComm 13(7) (2011) 2542

180,389

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-26 17:21:16 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180389 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/58/7205846.cif $ #-------------------------------------------------------------------...

2,000,491

9.551

0.002

10.486

0.003

12.543

0.002

90

null

90

null

90

null

1,256.2

0.5

0

null

7

P 21 21 21

P 2ac 2ab

19

- C7 H17 Cl2 N O Pt S -

- C28 H68 Cl8 N4 O4 Pt4 S4 -

4

1

AB1016

Lövqvist, K.; Oskarsson, Å.

Structure of trans-dichloro(dimethylsulfoxide)(piperidine)platinum(II)

Acta Crystallographica Section C

1,992

48

11

2073

2075

10.1107/S0108270192007212

0.71069

MoKα

null

0.048

null

0.061

null

1.04

null

has coordinates

Lövqvist, K.; Oskarsson, Å. Structure of trans-dichloro(dimethylsulfoxide)(piperidine)platinum(II) Acta Crystallographica Section C 48(11) (1992) 2073-2075

206,336

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2018-02-09 13:44:25 +0200 (Fri, 09 Feb 2018) $ #$Revision: 206336 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/04/2000491.cif $ #-------------------------------------------------------------------...

2,000,492

12.073

0.002

13.562

0.002

6.2527

0.0005

101.05

0.09

103.38

0.08

70.76

0.01

932.9

0.4

296

1

null

5

P -1

-P 1

2

- C19 H16 N2 O2 S3 -

- C19 H16 Br N2 O2 S3 -

- C38 H32 Br2 N4 O4 S6 -

2

1

MU1006

Beddoes, R. L.; Russell, J. R.; Garner, C. D.; Joule, J. A.

Regioselective pyrazine ring reduction of 4-(quinoxalin-2-yl)-1,3-dithiole-2-thione

Acta Crystallographica Section C

1,992

48

11

2075

2078

10.1107/S0108270192006115

1.54178

CuKα

null

0.054

null

0.066

null

2.42

null

has coordinates

Beddoes, R. L.; Russell, J. R.; Garner, C. D.; Joule, J. A. Regioselective pyrazine ring reduction of 4-(quinoxalin-2-yl)-1,3-dithiole-2-thione Acta Crystallographica Section C 48(11) (1992) 2075-2078

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/2/00/04/2000492.cif $ #-------------------------------------------------------------------...

2,000,493

12.288

0.014

14.863

0.011

18.479

0.016

90

null

90

null

90

null

3,375

5

298

null

5

P c c n

-P 2ab 2ac

null

- C32 H44 Br N3 O4 -

- C36 H54 Br N3 O4 -

- C144 H216 Br4 N12 O16 -

4

0.5

MU1007

Elding, M.; Larsson, A.-K.; Svensson, G.; Albertsson, J.; Eberson, L.

Structure of a `hypervalent' linear bis(phthalimidato)bromate(I) complex

Acta Crystallographica Section C

1,992

48

11

2078

2080

10.1107/S0108270192006164

0.71069

MoKα

null

0.063

null

0.069

null

has coordinates

Elding, M.; Larsson, A.-K.; Svensson, G.; Albertsson, J.; Eberson, L. Structure of a `hypervalent' linear bis(phthalimidato)bromate(I) complex Acta Crystallographica Section C 48(11) (1992) 2078-2080

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/2/00/04/2000493.cif $ #-------------------------------------------------------------------...

2,000,494

10.046

0.002

12.365

0.002

12.065

0.002

90

null

111.6

0.02

90

null

1,393.5

0.5

292

null

3

P 1 21/c 1

-P 2ybc

null

- C15 H22 O5 -

- C60 H88 O20 -

4

1

LI1013

Castellano, E. E.; Zukerman-Schpector, J.; Ferraz, H. M. C.; de Souza, A. J. C.; Tenius, B. S. M.

Structure of an intermediate in the synthesis of corymbolone

Acta Crystallographica Section C

1,992

48

11

2080

2082

10.1107/S0108270192007455

0.71073

MoKα

null

0.055

null

0.062

null

1.3

null

has coordinates

Castellano, E. E.; Zukerman-Schpector, J.; Ferraz, H. M. C.; de Souza, A. J. C.; Tenius, B. S. M. Structure of an intermediate in the synthesis of corymbolone Acta Crystallographica Section C 48(11) (1992) 2080-2082

301,791

2025-08-18

23:14:59

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/04/2000494.cif $ #-------------------------------------------------------------------...

2,000,495

31.196

0.008

7.748

0.001

10.154

0.002

90

null

96.32

0.02

90

null

2,439.4

0.9

293

null

5

P 1 21 1

P 2yb

4

- C26 H31 N O4 S -

- C104 H124 N4 O16 S4 -

4

2

KA1007

Stanković, S.; Stefanović, A.; Bruvo, M.; Altomare, A.

D-Secoestrone derivatives. II. 16-Cyano-3-methoxy-16,17-secoestra-1,3,5(10)-trien-17-yl p-toluenesulfonate

Acta Crystallographica Section C

1,992

48

11

2082

2085

10.1107/S0108270192006450

1.5418

CuKα

null

0.057

null

0.061

null

0.6

null

has coordinates

Stanković, S.; Stefanović, A.; Bruvo, M.; Altomare, A. D-Secoestrone derivatives. II. 16-Cyano-3-methoxy-16,17-secoestra-1,3,5(10)-trien-17-yl p-toluenesulfonate Acta Crystallographica Section C 48(11) (1992) 2082-2085

301,791

2025-08-18

23:14:59

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/04/2000495.cif $ #-------------------------------------------------------------------...

7,205,845

11.64

0.002

20.436

0.004

9.7263

0.0019

90

null

90

null

90

null

2,313.6

0.8

150

2

150

2

null

5

P n m a

-P 2ac 2n

62

- C24 H30 N4 O4 Zn -

- C24 H29 N4 O4 Zn -

- C96 H116 N16 O16 Zn4 -

4

0.5

Wang, Xin; Yao, Wei; Qi, Yan-Fei; Luo, Ming-Fa; Wang, Yong-Hui; Xie, Hong-Wei; Yu, Yang; Ma, Rui-Ying; Li, Yang-Guang

From ladder, net to framework: Coordination polymers based on Zn(ii)/Cd(ii) ions and mixed bicarboxyl- and bipyridine-containing linear ligands

CrystEngComm

2,011

13

7

2542

10.1039/c0ce00878h

0.71073

MoKα

0.0576

0.0509

null

0.1194

0.1234

null

1.055

null

has coordinates,has disorder

Wang, Xin; Yao, Wei; Qi, Yan-Fei; Luo, Ming-Fa; Wang, Yong-Hui; Xie, Hong-Wei; Yu, Yang; Ma, Rui-Ying; Li, Yang-Guang From ladder, net to framework: Coordination polymers based on Zn(ii)/Cd(ii) ions and mixed bicarboxyl- and bipyridine-containing linear ligands CrystEngComm 13(7) (2011) 2542

180,389

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-26 17:21:16 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180389 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/58/7205845.cif $ #-------------------------------------------------------------------...

2,000,496

22.046

0.006

6.226

0.001

8.48

0.003

90

null

90

null

90

null

1,164

0.6

294

null

4

P n a 21

null

- C4 H12 P2 S4 -

- C16 H48 P8 S16 -

4

1

AB1019

Gallacher, A. C.; Pinkerton, A. A.

Structures of bis(dialkylthiophosphoryl) disulfides, [R~2~P(S)]~2~S~2~, R = Me, ^i^Pr, and the question of P-S π bonding

Acta Crystallographica Section C

1,992

48

11

2085

2088

10.1107/S0108270192008333

0.71073

MoKα

null

0.042

null

0.041

null

1.265

null

has coordinates

Gallacher, A. C.; Pinkerton, A. A. Structures of bis(dialkylthiophosphoryl) disulfides, [R~2~P(S)]~2~S~2~, R = Me, ^i^Pr, and the question of P-S π bonding Acta Crystallographica Section C 48(11) (1992) 2085-2088

301,791

2025-08-18

23:14:59

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/04/2000496.cif $ #-------------------------------------------------------------------...

2,000,497

7.616

0.001

11.378

0.001

12.403

0.002

68.33

0.01

72.61

0.01

85.53

0.01

952.5

0.2

294

null

4

P -1

-P 1

2

- C12 H28 P2 S4 -

- C24 H56 P4 S8 -

2

1

AB1019

Gallacher, A. C.; Pinkerton, A. A.

Structures of bis(dialkylthiophosphoryl) disulfides, [R~2~P(S)]~2~S~2~, R = Me, ^i^Pr, and the question of P-S π bonding

Acta Crystallographica Section C

1,992

48

11

2085

2088

10.1107/S0108270192008333

0.71073

MoKα

null

0.025

null

0.032

null

1

null

has coordinates

Gallacher, A. C.; Pinkerton, A. A. Structures of bis(dialkylthiophosphoryl) disulfides, [R~2~P(S)]~2~S~2~, R = Me, ^i^Pr, and the question of P-S π bonding Acta Crystallographica Section C 48(11) (1992) 2085-2088

301,791

2025-08-18

23:14:59

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/04/2000497.cif $ #-------------------------------------------------------------------...

2,000,498

9.622

0.002

27.282

0.007

8.107

0.002

90

null

90

null

90

null

2,128.1

0.9

296

null

296

null

5

P -1

-P 1

2

Ethyl (2R, 3R, SR)-3-(Ethoxycarbonyloxy)-2-[1-(p-tolylsulfinyl) cyclopropyl]-1-pyrrolidinecarboxylate

- C20 H27 N O6 S -

- C10 H13.5 N0.5 O3 S0.5 -

- C40 H54 N2 O12 S2 -

4

2

CR1017

Robinson, P. D.; Hua, D. H.; Wu, X.; Miao, S. W.; Meled, M.

Ethyl (2R,3R,SR)-3-(ethoxycarbonyloxy)-2-[1-(p-tolylsulfinyl)cyclopropyl]-1-pyrrolidinecarboxylate

Acta Crystallographica Section C

1,992

48

11

2088

2090

10.1107/S010827019200814X

0.71069

MoKα

null

0.056

null

0.053

null

1.58

null

has coordinates

Robinson, P. D.; Hua, D. H.; Wu, X.; Miao, S. W.; Meled, M. Ethyl (2R,3R,SR)-3-(ethoxycarbonyloxy)-2-[1-(p-tolylsulfinyl)cyclopropyl]-1-pyrrolidinecarboxylate Acta Crystallographica Section C 48(11) (1992) 2088-2090

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/2/00/04/2000498.cif $ #-------------------------------------------------------------------...

2,000,499

6.562

0.004

20.473

0.011

15.202

0.006

90

null

94.73

null

90

null

2,035.3

1.8

293

null

5

P 1 21 1

P 2yb

4

- C19 H29 N O3 Si -

- C76 H116 N4 O12 Si4 -

4

2

HH1008

Schaefer, W. P.; Subramanian, V.; Myers, A. G.

Structure of an 11-membered cyclic silyl enol ether from condensation of methacrolein and a pseudoephedrine-derived O-silyl ketene N,O-acetal

Acta Crystallographica Section C

1,992

48

11

2090

2092

10.1107/S0108270192006851

0.71073

MoKα

null

0.05

null

1.72

null

has coordinates

Schaefer, W. P.; Subramanian, V.; Myers, A. G. Structure of an 11-membered cyclic silyl enol ether from condensation of methacrolein and a pseudoephedrine-derived O-silyl ketene N,O-acetal Acta Crystallographica Section C 48(11) (1992) 2090-2092

301,791

2025-08-18

23:14:59

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/04/2000499.cif $ #-------------------------------------------------------------------...

7,205,844

32.207

0.006

13.378

0.003

15.871

0.003

90

null

91.05

0.03

90

null

6,837

2

150

2

150

2

null

5

C 1 2/c 1

-C 2yc

15

- C56 H60 Cd3 N6 O15.5 -

- C56 H54 Cd3 N6 O15.5 -

- C224 H216 Cd12 N24 O62 -

4

0.5

Wang, Xin; Yao, Wei; Qi, Yan-Fei; Luo, Ming-Fa; Wang, Yong-Hui; Xie, Hong-Wei; Yu, Yang; Ma, Rui-Ying; Li, Yang-Guang

From ladder, net to framework: Coordination polymers based on Zn(ii)/Cd(ii) ions and mixed bicarboxyl- and bipyridine-containing linear ligands

CrystEngComm

2,011

13

7

2542

10.1039/c0ce00878h

0.71073

MoKα

0.0899

0.063

null

0.1672

0.1826

null

1.065

null

has coordinates,has disorder

Wang, Xin; Yao, Wei; Qi, Yan-Fei; Luo, Ming-Fa; Wang, Yong-Hui; Xie, Hong-Wei; Yu, Yang; Ma, Rui-Ying; Li, Yang-Guang From ladder, net to framework: Coordination polymers based on Zn(ii)/Cd(ii) ions and mixed bicarboxyl- and bipyridine-containing linear ligands CrystEngComm 13(7) (2011) 2542

176,453

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $ #$Revision: 176453 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/58/7205844.cif $ #-------------------------------------------------------------------...

2,000,500

14.232

0.003

5.973

0.001

14.98

0.002

90

null

93.52

0.01

90

null

1,271

0.4

295

null

295

null

4

P 1 21/n 1

-P 2yn

14

- C13 H14 O S3 -

- C52 H56 O4 S12 -

4

1

HH1012

Watson, W. H.; Krawiec, M.; Ghosh, T.; Bartlett, P. D.

endo-2-Phenyl-exo-3,4,5-trithiatricyclo[5.2.1.0^2,6^]decane exo-4-oxide

Acta Crystallographica Section C

1,992

48

11

2092

2094

10.1107/S0108270192007030

0.71073

MoKαradiation,graphitemonochromator

0.041

0.0346

null

0.0394

0.0388

null

1.737

null

has coordinates

Watson, W. H.; Krawiec, M.; Ghosh, T.; Bartlett, P. D. endo-2-Phenyl-exo-3,4,5-trithiatricyclo[5.2.1.0^2,6^]decane exo-4-oxide Acta Crystallographica Section C 48(11) (1992) 2092-2094

301,791

2025-08-18

23:14:59

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/05/2000500.cif $ #-------------------------------------------------------------------...

2,000,501

7.7819

0.0008

8.069

0.002

11.574

0.002

90

null

90

null

90

null

726.8

0.2

291

null

4

P c n b

null

- C5 H12 N2 O4 -

- C20 H48 N8 O16 -

4

0.5

PA1005

Bréhin, P.; Kozelka, J.; Bois, C.

Diammonium cyclopropane-1,1-dicarboxylate

Acta Crystallographica Section C

1,992

48

11

2094

2096

10.1107/S0108270192006802

0.7107

MoKα

null

0.032

null

0.031

null

has coordinates

Bréhin, P.; Kozelka, J.; Bois, C. Diammonium cyclopropane-1,1-dicarboxylate Acta Crystallographica Section C 48(11) (1992) 2094-2096

301,791

2025-08-18

23:14:59

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/05/2000501.cif $ #-------------------------------------------------------------------...

2,000,502

24.565

0.002

17.75

0.002

10.959

0.003

90

null

105.24

0.03

90

null

4,610.4

1.6

294

null

4

C 1 2/c 1

null

- C26 H24 N4 O4 -

- C26 H23 N4 O4 -

- C208 H184 N32 O32 -

8

1

CR0411

Liu, H.; Wang, X.; Zhang, X.

Structure of the 1:1 complex of 6,6'-diquinolyl ether with 5,5-diethylbarbituric acid

Acta Crystallographica Section C

1,992

48

11

2096

2098

10.1107/S010827019200828X

0.7107

MoKα

null

0.052

null

0.047

null

3.75

null

has coordinates

Liu, H.; Wang, X.; Zhang, X. Structure of the 1:1 complex of 6,6'-diquinolyl ether with 5,5-diethylbarbituric acid Acta Crystallographica Section C 48(11) (1992) 2096-2098

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/05/2000502.cif $ #-------------------------------------------------------------------...

2,000,503

12.326

0.002

17.177

0.001

5.906

0.002

90

null

90

null

106.4

0.01

1,199.6

0.5

293

null

4

P 1 1 21/b

-P 2bc

null

- C14 H13 N S -

- C56 H52 N4 S4 -

4

1

DU1010

Metin, J.; Roche, D.; Veschambre, H.; Madesclaire, M.

(E)-Methyl 2-phenyl-2-(3-pyridyl)vinyl sulfide

Acta Crystallographica Section C

1,992

48

11

2098

2100

10.1107/S0108270192007339

0.71069

MoKα

null

0.045

null

0.044

null

2.2

null

has coordinates

Metin, J.; Roche, D.; Veschambre, H.; Madesclaire, M. (E)-Methyl 2-phenyl-2-(3-pyridyl)vinyl sulfide Acta Crystallographica Section C 48(11) (1992) 2098-2100

301,791

2025-08-18

23:14:59

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/05/2000503.cif $ #-------------------------------------------------------------------...

7,205,843

32.8723

0.0016

32.8723

0.0016

8.4085

0.0008

90

null

90

null

120

null

7,868.8

0.9

296

2

296

2

null

5

R -3 :H

-R 3

148

- C13 H12 N6 O5 Zn2 -

- C234 H216 N108 O90 Zn36 -

18

1

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

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

CrystEngComm

2,011

13

8

3013

10.1039/c0ce00873g

0.71073

MoKα

0.0386

0.0288

null

0.0735

0.077

null

1.076

null

has coordinates

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

180,389

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-26 17:21:16 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180389 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/58/7205843.cif $ #-------------------------------------------------------------------...