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

2,001,479

10.0609

0.001

10.259

0.0011

12.0028

0.001

101.936

0.011

103.436

0.008

90.783

0.01

1,176.4

0.2

295

null

5

P -1

-P 1

2

- C56 H40 As2 Cl4 N4 -

- C14 H10 As0.5 Cl N -

- C56 H40 As2 Cl4 N4 -

4

2

CD1008

Aquino, M. A. S.; Crutchley, R. J.; Lee, F. L.; Gabe, E. J.; Bensimon, C.

Structure of 1,4-benzenedicyanamide dianion derivatives

Acta Crystallographica Section C

1,993

49

8

1543

1547

10.1107/S0108270193001428

0.7093

MoKα

null

0.048

null

0.029

null

1.974

null

has coordinates

Aquino, M. A. S.; Crutchley, R. J.; Lee, F. L.; Gabe, E. J.; Bensimon, C. Structure of 1,4-benzenedicyanamide dianion derivatives Acta Crystallographica Section C 49(8) (1993) 1543-1547

278,247

2022-09-28

15:09:31

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7,205,617

14.166

0.003

9.432

0.002

20.139

0.004

90

null

91.88

0.02

90

null

2,689.4

1

293

2

293

2

null

4

P 1 21/c 1

-P 2ybc

14

1,1,6,6-tetraphenyl-2,4-hexadiyne-1,6-diol:2(dimer of Isoquinolin-3(2H)-one).HOAc

- C35 H29 N2 O5 -

- C34 H25 N2 O3.5 -

- C136 H100 N8 O14 -

4

1

Cao, Deng-Ke; Sreevidya, Thekku V.; Botoshansky, Mark; Golden, Gilad; Benedict, Jason B.; Kaftory, Menahem

Formation of different photodimers of isoquinolinone by irradiation of solid molecular compounds

CrystEngComm

2,011

13

9

3181

10.1039/c0ce00489h

0.71073

MoKα

0.1034

0.0593

null

0.1505

0.1667

null

1.067

null

has coordinates

Cao, Deng-Ke; Sreevidya, Thekku V.; Botoshansky, Mark; Golden, Gilad; Benedict, Jason B.; Kaftory, Menahem Formation of different photodimers of isoquinolinone by irradiation of solid molecular compounds CrystEngComm 13(9) (2011) 3181

180,387

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-26 17:19:08 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180387 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/56/7205617.cif $ #-------------------------------------------------------------------...

2,001,480

26.304

0.011

12.639

0.006

16.825

0.006

90

null

116.68

0.03

90

null

4,998

4

298

null

5

C 1 2/c 1

-C 2yc

null

- C25 H41 N2 O2 P -

- C200 H328 N16 O16 P8 -

8

1

ST1044

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

Structure of a chiral bicyclic 1-hydroxyalkyl phosphonamide

Acta Crystallographica Section C

1,993

49

8

1547

1549

10.1107/S0108270193001507

0.71073

MoKα

null

0.062

null

0.065

null

1.15

null

has coordinates

Koeller, K. J.; Rath, N. P.; Spilling, C. D. Structure of a chiral bicyclic 1-hydroxyalkyl phosphonamide Acta Crystallographica Section C 49(8) (1993) 1547-1549

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/14/2001480.cif $ #-------------------------------------------------------------------...

2,001,481

6.8294

0.0009

19.627

0.003

15.702

0.003

90

null

98.3

0.014

90

null

2,082.7

0.6

193

null

193

1

null

4

P 1 21/n 1

-P 2yn

14

tris(nonafluoroisobutyl)phosphine oxide

- C12 F27 O P -

- C48 F108 O4 P4 -

4

1

BR1029

Lynch, V. M.; Kampa, J. J.; Lagow, R. J.; Davis, B. E.

Structure of tris(nonafluoroisobutyl)phosphine oxide

Acta Crystallographica Section C

1,993

49

8

1549

1551

10.1107/S0108270193000721

0.71073

MoKα

0.0411

0.0331

null

0.0459

0.043

null

1.379

null

has coordinates

Lynch, V. M.; Kampa, J. J.; Lagow, R. J.; Davis, B. E. Structure of tris(nonafluoroisobutyl)phosphine oxide Acta Crystallographica Section C 49(8) (1993) 1549-1551

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/14/2001481.cif $ #-------------------------------------------------------------------...

2,001,482

7.453

0.0004

9.5633

0.0005

27.831

0.003

90

null

90

null

90

null

1,983.7

0.3

293

null

5

P 21 21 21

P 2ac 2ab

null

- C20 H26 Cl2 N2 O2 -

- C80 H104 Cl8 N8 O8 -

4

1

CR1018

Ammon, H. L.; Youssefyeh, R. D.; Airey, J. E.; Studt, W. L.; Campbell, H. F.; Powers, M. R.; Golec, F. A.

Structure and absolute configuration of a high affinity 5-HT~3~ receptor antagonist, (5aS,9aS)-N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-2-chloro-5a,6,7,8,9,9a-hexahydro-4-dibenzofurancarboxamide hydrochloride

Acta Crystallographica Section C

1,993

49

8

1551

1554

10.1107/S0108270193000824

1.5418

CuKα

null

0.03

null

0.04

null

1.71

null

has coordinates

Ammon, H. L.; Youssefyeh, R. D.; Airey, J. E.; Studt, W. L.; Campbell, H. F.; Powers, M. R.; Golec, F. A. Structure and absolute configuration of a high affinity 5-HT~3~ receptor antagonist, (5aS,9aS)-N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-2-chloro-5a,6,7,8,9,9a-hexahydro-4-dibenzofurancarbo...

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/14/2001482.cif $ #-------------------------------------------------------------------...

7,205,616

7.102

0.006

7.909

0.006

9.35

0.005

97.37

0.03

95.76

0.03

101.14

0.03

506.8

0.6

293

2

293

2

null

4

P -1

-P 1

2

- C22 H22 N2 O6 -

1

0.5

Cao, Deng-Ke; Sreevidya, Thekku V.; Botoshansky, Mark; Golden, Gilad; Benedict, Jason B.; Kaftory, Menahem

Formation of different photodimers of isoquinolinone by irradiation of solid molecular compounds

CrystEngComm

2,011

13

9

3181

10.1039/c0ce00489h

0.71073

MoKα

0.112

0.0482

null

0.1205

0.1451

null

0.817

null

has coordinates

Cao, Deng-Ke; Sreevidya, Thekku V.; Botoshansky, Mark; Golden, Gilad; Benedict, Jason B.; Kaftory, Menahem Formation of different photodimers of isoquinolinone by irradiation of solid molecular compounds CrystEngComm 13(9) (2011) 3181

301,863

2025-08-22

13:07:26

#------------------------------------------------------------------------------ #$Date: 2025-08-22 15:50:14 +0300 (Fri, 22 Aug 2025) $ #$Revision: 301863 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/56/7205616.cif $ #-------------------------------------------------------------------...

2,001,483

9.878

0.001

12.326

0.001

16.512

0.003

102.37

0.01

91.05

0.02

94.22

0.01

1,957.2

0.4

null

5

P -1

-P 1

2

- C9 H9 Au S10 Te -

- C36 H36 Au4 S40 Te4 -

4

2

CR1020

Swaminathan, K.; Carroll, P. J.; Kochurani; Singh, H. B.; Bhargava, H. D.

Structure of trimethyltelluronium bis(4,5-dimercapto-1,3-dithiole-2-thionato)aurate(III)

Acta Crystallographica Section C

1,993

49

7

1243

1246

10.1107/S0108270193002999

0.7107

Mo

null

has coordinates

Swaminathan, K.; Carroll, P. J.; Kochurani; Singh, H. B.; Bhargava, H. D. Structure of trimethyltelluronium bis(4,5-dimercapto-1,3-dithiole-2-thionato)aurate(III) Acta Crystallographica Section C 49(7) (1993) 1243-1246

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/2/00/14/2001483.cif $ #-------------------------------------------------------------------...

2,001,484

31.676

0.011

8.19

0.002

6.6242

0.0006

90

null

90

null

90

null

1,718.5

0.7

null

6

P 21 21 21

P 2ac 2ab

null

- C13 H20 Cl2 N4 Pt S -

- C52 H80 Cl8 N16 Pt4 S4 -

4

1

HH1049

Arvanitis, G. M.; Berardini, M. E.; Parkinson, G. N.; Schneider, B. S.

Structure of a platinum(II) complex of levamisole

Acta Crystallographica Section C

1,993

49

7

1246

1248

10.1107/S0108270193002471

0.71069

Mo

null

has coordinates

Arvanitis, G. M.; Berardini, M. E.; Parkinson, G. N.; Schneider, B. S. Structure of a platinum(II) complex of levamisole Acta Crystallographica Section C 49(7) (1993) 1246-1248

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/2/00/14/2001484.cif $ #-------------------------------------------------------------------...

2,001,485

12.902

0.001

20.561

0.002

13.558

0.006

90

null

109.38

0.02

90

null

3,392.8

1.6

null

5

P 1 21/n 1

-P 2yn

14

- C36 H32 Cu2 N4 O12 -

- C36 H24 Cu2 N4 O12 -

- C144 H96 Cu8 N16 O48 -

4

1

KA1021

Poleti, D.; Karanović, Lj.; Prelesnik, B. V.

A polymeric copper(II) complex with 2,2'-bipyridine and 1,2-benzenedicarboxylate(2–)

Acta Crystallographica Section C

1,993

49

7

1249

1251

10.1107/S0108270193001404

0.71069

Mo

null

has coordinates

Poleti, D.; Karanović, Lj.; Prelesnik, B. V. A polymeric copper(II) complex with 2,2'-bipyridine and 1,2-benzenedicarboxylate(2–) Acta Crystallographica Section C 49(7) (1993) 1249-1251

278,324

2022-10-03

14:41:53

#------------------------------------------------------------------------------ #$Date: 2022-10-03 17:40:12 +0300 (Mon, 03 Oct 2022) $ #$Revision: 278324 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/14/2001485.cif $ #-------------------------------------------------------------------...

2,001,486

14.117

0.002

11.04

0.002

8.828

0.001

90

null

106.8

0.02

90

null

1,317.1

0.4

null

6

P 1 21/a 1

-P 2yab

null

- C6 H22 Cl2 N4 Ni O2 -

- C24 H88 Cl8 N16 Ni4 O8 -

4

1

NA1022

Marzotto, A.; Clemente, D. A.; Valle, G.

Structure of aquachloro[tris(2-aminoethyl)amine]nickel(II) chloride monohydrate

Acta Crystallographica Section C

1,993

49

7

1252

1255

10.1107/S0108270193001416

0.7107

Mo

null

has coordinates

Marzotto, A.; Clemente, D. A.; Valle, G. Structure of aquachloro[tris(2-aminoethyl)amine]nickel(II) chloride monohydrate Acta Crystallographica Section C 49(7) (1993) 1252-1255

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/2/00/14/2001486.cif $ #-------------------------------------------------------------------...

2,001,487

11.236

0.002

11.709

0.003

19.897

0.004

75.55

0.02

81.02

0.01

78.92

0.02

2,471.5

1

null

6

P -1

-P 1

2

- C36 H46 Cl2 Fe4 N4 O14 -

- C38 Cl2 Fe4 N5 O14 -

- C76 Cl4 Fe8 N10 O28 -

2

1

CR1024

Wu, L.; Pressprich, M.; Coppens, P.; DeMarco, M. J.

A new tetranuclear iron(III) complex with an [Fe~4~O~2~] core: synthesis, structure and Mössbauer studies of [Fe~4~(μ~3~-O)~2~(μ-O~2~CCH~3~)~6~Cl~2~(3-Mepy)~4~].CH~3~C=N (3-Mepy = 3-methylpyridine)

Acta Crystallographica Section C

1,993

49

7

1255

1258

10.1107/S0108270193002100

0.71073

Mo

null

has coordinates

Wu, L.; Pressprich, M.; Coppens, P.; DeMarco, M. J. A new tetranuclear iron(III) complex with an [Fe~4~O~2~] core: synthesis, structure and Mössbauer studies of [Fe~4~(μ~3~-O)~2~(μ-O~2~CCH~3~)~6~Cl~2~(3-Mepy)~4~].CH~3~C=N (3-Mepy = 3-methylpyridine) Acta Crystallographica Section C 49(7) (1993) 1255-1258

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/2/00/14/2001487.cif $ #-------------------------------------------------------------------...

7,205,615

9.868

0.002

6.089

0.001

12.466

0.002

90

null

108.14

0.03

90

null

711.8

0.2

293

2

293

2

null

4

P 1 21/c 1

-P 2ybc

14

isoquinolinone

Isoquinolin-3(2H)-one

- C9 H7 N O -

- C36 H28 N4 O4 -

4

1

Cao, Deng-Ke; Sreevidya, Thekku V.; Botoshansky, Mark; Golden, Gilad; Benedict, Jason B.; Kaftory, Menahem

Formation of different photodimers of isoquinolinone by irradiation of solid molecular compounds

CrystEngComm

2,011

13

9

3181

10.1039/c0ce00489h

0.71073

MoKα

0.0816

0.0661

null

0.1917

0.2018

null

1.113

null

has coordinates

Cao, Deng-Ke; Sreevidya, Thekku V.; Botoshansky, Mark; Golden, Gilad; Benedict, Jason B.; Kaftory, Menahem Formation of different photodimers of isoquinolinone by irradiation of solid molecular compounds CrystEngComm 13(9) (2011) 3181

180,387

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-26 17:19:08 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180387 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/56/7205615.cif $ #-------------------------------------------------------------------...

2,001,488

6.639

0.002

8.443

0.003

13.559

0.004

90

null

100.73

0.02

90

null

746.7

0.4

null

5

P 1 21/c 1

-P 2ybc

null

- C6 H18 Cl4 P2 Tc -

- C12 H36 Cl8 P4 Tc2 -

2

0.5

CD1023

Rochon, F. D.; Melanson, R.

Structures of trans-[TcCl~4~{P(CH~3~)~3~}~2~] and [P(C~7~H~7~)~3~{C(CH~3~)~2~CH~2~COCH~3~}]~2~[TcCl~6~]

Acta Crystallographica Section C

1,993

49

7

1259

1262

10.1107/S010827019300321X

0.71069

Mo

null

has coordinates

Rochon, F. D.; Melanson, R. Structures of trans-[TcCl~4~{P(CH~3~)~3~}~2~] and [P(C~7~H~7~)~3~{C(CH~3~)~2~CH~2~COCH~3~}]~2~[TcCl~6~] Acta Crystallographica Section C 49(7) (1993) 1259-1262

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/2/00/14/2001488.cif $ #-------------------------------------------------------------------...

2,001,489

15.12

0.004

11.038

0.003

21.146

0.006

90

null

128.59

0.02

90

null

2,758.5

1.5

null

6

P 1 21/c 1

-P 2ybc

null

- C54 H64 Cl6 O2 P2 Tc -

- C108 H128 Cl12 O4 P4 Tc2 -

2

0.5

CD1023

Rochon, F. D.; Melanson, R.

Structures of trans-[TcCl~4~{P(CH~3~)~3~}~2~] and [P(C~7~H~7~)~3~{C(CH~3~)~2~CH~2~COCH~3~}]~2~[TcCl~6~]

Acta Crystallographica Section C

1,993

49

7

1259

1262

10.1107/S010827019300321X

0.71069

Mo

null

has coordinates

Rochon, F. D.; Melanson, R. Structures of trans-[TcCl~4~{P(CH~3~)~3~}~2~] and [P(C~7~H~7~)~3~{C(CH~3~)~2~CH~2~COCH~3~}]~2~[TcCl~6~] Acta Crystallographica Section C 49(7) (1993) 1259-1262

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/2/00/14/2001489.cif $ #-------------------------------------------------------------------...

2,001,490

8.9522

0.001

15.356

0.002

26.317

0.003

90

null

98

0.1

90

null

3,582.6

1.1

null

6

P 1 21/n 1

-P 2yn

14

- C30 H15 Co6 O11 P S2 -

- C120 H60 Co24 O44 P4 S8 -

4

1

NA1030

Gervasio, G.; Rossetti, R.

Structure of μ~6~-carbido-undecacarbonyldi(μ~3~-sulfido)(triphenylphosphine)-triprismo-hexacobalt

Acta Crystallographica Section C

1,993

49

7

1262

1264

10.1107/S0108270193002239

0.71073

Mo

null

has coordinates

Gervasio, G.; Rossetti, R. Structure of μ~6~-carbido-undecacarbonyldi(μ~3~-sulfido)(triphenylphosphine)-triprismo-hexacobalt Acta Crystallographica Section C 49(7) (1993) 1262-1264

278,324

2022-10-03

14:41:53

#------------------------------------------------------------------------------ #$Date: 2022-10-03 17:40:12 +0300 (Mon, 03 Oct 2022) $ #$Revision: 278324 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/14/2001490.cif $ #-------------------------------------------------------------------...

2,001,491

12.369

0.009

7.958

0.008

13.818

0.009

90

null

90

null

90

null

1,360.1

1.9

null

6

P c a 21

P 2c -2ac

null

- C5 H18 Co N5 O4 S3 -

- C20 H72 Co4 N20 O16 S12 -

4

1

CD1005

Tang, K.; Kastner, M. E.; Cooper, J. N.; Kanaskie, M.; Monoski, A.

Structures of cis- and trans-bis(ethylenediamine)(isothiocyanato)(thiosulfato)cobalt(III)

Acta Crystallographica Section C

1,993

49

7

1265

1267

10.1107/S0108270193001970

0.71073

Mo

null

has coordinates

Tang, K.; Kastner, M. E.; Cooper, J. N.; Kanaskie, M.; Monoski, A. Structures of cis- and trans-bis(ethylenediamine)(isothiocyanato)(thiosulfato)cobalt(III) Acta Crystallographica Section C 49(7) (1993) 1265-1267

189,124

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-12-14 14:05:40 +0200 (Wed, 14 Dec 2016) $ #$Revision: 189124 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/14/2001491.cif $ #-------------------------------------------------------------------...

7,205,614

9.906

0.003

7.645

0.002

11.427

0.003

90

null

98.162

0.004

90

null

856.6

0.4

173

2

173

2

null

4

C 1 2 1

C 2y

5

(2S,3S)-2-Amino-3-methylpentanoic acid hydrogen peroxide solvate

- C6 H15 N O4 -

- C24 H60 N4 O16 -

4

1

Prikhodchenko, Petr V.; Medvedev, Alexander G.; Tripol'skaya, Tatiana A.; Churakov, Andrei V.; Wolanov, Yitzhak; Howard, Judith A. K.; Lev, Ovadia

Crystal structures of natural amino acid perhydrates

CrystEngComm

2,011

13

7

2399

10.1039/c0ce00481b

0.71073

MoKα

0.0276

0.027

null

0.0725

0.0728

null

1.091

null

has coordinates

Prikhodchenko, Petr V.; Medvedev, Alexander G.; Tripol'skaya, Tatiana A.; Churakov, Andrei V.; Wolanov, Yitzhak; Howard, Judith A. K.; Lev, Ovadia Crystal structures of natural amino acid perhydrates CrystEngComm 13(7) (2011) 2399

301,863

2025-08-22

13:07:26

#------------------------------------------------------------------------------ #$Date: 2025-08-22 15:50:14 +0300 (Fri, 22 Aug 2025) $ #$Revision: 301863 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/56/7205614.cif $ #-------------------------------------------------------------------...

2,001,492

9.941

0.008

8.884

0.005

16.41

0.02

90

null

94.03

0.08

90

null

1,446

2

null

6

P 1 c 1

P -2yc

null

- C5 H19 Co N5 O4.5 S3 -

- C20 H76 Co4 N20 O18 S12 -

4

2

CD1005

Tang, K.; Kastner, M. E.; Cooper, J. N.; Kanaskie, M.; Monoski, A.

Structures of cis- and trans-bis(ethylenediamine)(isothiocyanato)(thiosulfato)cobalt(III)

Acta Crystallographica Section C

1,993

49

7

1265

1267

10.1107/S0108270193001970

0.71073

Mo

null

has coordinates

Tang, K.; Kastner, M. E.; Cooper, J. N.; Kanaskie, M.; Monoski, A. Structures of cis- and trans-bis(ethylenediamine)(isothiocyanato)(thiosulfato)cobalt(III) Acta Crystallographica Section C 49(7) (1993) 1265-1267

189,124

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-12-14 14:05:40 +0200 (Wed, 14 Dec 2016) $ #$Revision: 189124 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/14/2001492.cif $ #-------------------------------------------------------------------...

2,001,493

3.8603

0.0005

3.8603

0.0005

12.729

0.003

90

null

90

null

90

null

189.69

0.06

100

null

3

I 4/m m m

-I 4 2

null

- O4 Ru Sr2 -

- O8 Ru2 Sr4 -

2

0.0625

SH1024

Walz, L.; Lichtenberg, F.

Refinement of the structure of Sr~2~RuO~4~ with 100 and 295 K X-ray data

Acta Crystallographica Section C

1,993

49

7

1268

1270

10.1107/S0108270192013143

0.71073

MoKα

null

0.0146

null

0.0129

null

has coordinates

Walz, L.; Lichtenberg, F. Refinement of the structure of Sr~2~RuO~4~ with 100 and 295 K X-ray data Acta Crystallographica Section C 49(7) (1993) 1268-1270

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/2/00/14/2001493.cif $ #-------------------------------------------------------------------...

2,001,494

3.8694

0.0004

3.8694

0.0004

12.746

0.002

90

null

90

null

90

null

190.84

0.04

295

null

3

I 4/m m m

-I 4 2

null

- O4 Ru Sr2 -

- O8 Ru2 Sr4 -

2

0.0625

SH1024

Walz, L.; Lichtenberg, F.

Refinement of the structure of Sr~2~RuO~4~ with 100 and 295 K X-ray data

Acta Crystallographica Section C

1,993

49

7

1268

1270

10.1107/S0108270192013143

0.71073

MoKα

null

0.0197

null

0.0168

null

has coordinates

Walz, L.; Lichtenberg, F. Refinement of the structure of Sr~2~RuO~4~ with 100 and 295 K X-ray data Acta Crystallographica Section C 49(7) (1993) 1268-1270

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/2/00/14/2001494.cif $ #-------------------------------------------------------------------...

2,001,495

10.873

0.005

10.873

0.005

10.873

0.005

90

null

90

null

90

null

1,285.4

1

293

null

3

F d -3 m

-F 4vw 2vw 3

null

- In2 S4 Yb2 -

- In3 S4 Yb4 -

- In24 S32 Yb32 -

8

null

DU1005

Likforman, A.; Guittard, M.

Structure cristalline du sulfure d'ytterbium et d'indium: Yb~4/3~In~4/3~S~4~

Acta Crystallographica Section C

1,993

49

7

1270

1271

10.1107/S0108270192013131

0.71069

MoKα

null

0.047

null

0.051

null

1.81

null

has coordinates

Likforman, A.; Guittard, M. Structure cristalline du sulfure d'ytterbium et d'indium: Yb~4/3~In~4/3~S~4~ Acta Crystallographica Section C 49(7) (1993) 1270-1271

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/2/00/14/2001495.cif $ #-------------------------------------------------------------------...

2,001,496

7.8906

0.0003

7.8906

0.0003

5.6628

0.0004

90

null

90

null

120

null

305.34

0.03

296

null

4

P -3 m 1

-P 3 2"

164

- Br2 Co H12 O14 -

1

0.083333

CR1038

Blackburn, A. C.; Gerkin, R. E.

Structure of hexaaquacobalt(II) perbromate

Acta Crystallographica Section C

1,993

49

7

1271

1275

10.1107/S0108270192013465

0.71073

MoKᾱ

null

0.036

null

0.033

null

1.33

null

has coordinates

Blackburn, A. C.; Gerkin, R. E. Structure of hexaaquacobalt(II) perbromate Acta Crystallographica Section C 49(7) (1993) 1271-1275

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/14/2001496.cif $ #-------------------------------------------------------------------...

2,001,497

6.9439

0.0009

8.851

0.001

5.0143

0.0008

90

null

97.25

0.01

90

null

305.72

0.07

297

null

4

P 1 21/n 1

-P 2yn

14

- Cu Na O4 P -

- Cu4 Na4 O16 P4 -

4

1

DU1029

Kawahara, A.; Kageyama, T.; Watanabe, I.; Yamakawa, J.

Structure du monophosphate synthétique de cuivre et de sodium

Acta Crystallographica Section C

1,993

49

7

1275

1277

10.1107/S0108270193000460

0.71069

MoKα

null

0.041

null

0.047

null

2.62

null

has coordinates

Kawahara, A.; Kageyama, T.; Watanabe, I.; Yamakawa, J. Structure du monophosphate synthétique de cuivre et de sodium Acta Crystallographica Section C 49(7) (1993) 1275-1277

278,324

2022-10-03

14:41:53

#------------------------------------------------------------------------------ #$Date: 2022-10-03 17:40:12 +0300 (Mon, 03 Oct 2022) $ #$Revision: 278324 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/14/2001497.cif $ #-------------------------------------------------------------------...

7,205,613

6.8875

0.0011

9.5679

0.0016

10.576

0.0018

90

null

101.842

0.002

90

null

682.1

0.2

150

2

150

2

null

4

P 1 21/n 1

-P 2yn

14

3-aminopropanoic acid hydrogen peroxide disolvate

- C3 H11 N O6 -

- C12 H44 N4 O24 -

4

1

Prikhodchenko, Petr V.; Medvedev, Alexander G.; Tripol'skaya, Tatiana A.; Churakov, Andrei V.; Wolanov, Yitzhak; Howard, Judith A. K.; Lev, Ovadia

Crystal structures of natural amino acid perhydrates

CrystEngComm

2,011

13

7

2399

10.1039/c0ce00481b

0.71073

MoKα

0.0309

0.0285

null

0.0759

0.0772

null

1.077

null

has coordinates

Prikhodchenko, Petr V.; Medvedev, Alexander G.; Tripol'skaya, Tatiana A.; Churakov, Andrei V.; Wolanov, Yitzhak; Howard, Judith A. K.; Lev, Ovadia Crystal structures of natural amino acid perhydrates CrystEngComm 13(7) (2011) 2399

301,863

2025-08-22

13:07:26

#------------------------------------------------------------------------------ #$Date: 2025-08-22 15:50:14 +0300 (Fri, 22 Aug 2025) $ #$Revision: 301863 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/56/7205613.cif $ #-------------------------------------------------------------------...

2,001,498

15.33

0.003

19.808

0.004

16.915

0.003

90

null

101.638

0.015

90

null

5,030.8

1.7

167

2

null

6

P 1 21/n 1

-P 2yn

14

- C52 H52 As2 N5 O6 Re -

- C52 H45 As2 N5 O6 Re -

- C208 H180 As8 N20 O24 Re4 -

4

1

BR1026

Britten, J. F.; Lock, C. J. L.; Wei, Y.

Bis(tetraphenylarsonium) aquatetra(cyano-C)nitridorhenate(V) pentahydrate

Acta Crystallographica Section C

1,993

49

7

1277

1280

10.1107/S0108270193001155

0.56086

AgKα

null

0.0583

null

0.0315

null

1.41

null

has coordinates

Britten, J. F.; Lock, C. J. L.; Wei, Y. Bis(tetraphenylarsonium) aquatetra(cyano-C)nitridorhenate(V) pentahydrate Acta Crystallographica Section C 49(7) (1993) 1277-1280

278,324

2022-10-03

14:41:53

#------------------------------------------------------------------------------ #$Date: 2022-10-03 17:40:12 +0300 (Mon, 03 Oct 2022) $ #$Revision: 278324 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/14/2001498.cif $ #-------------------------------------------------------------------...

2,001,499

10.978

0.001

9.628

0.001

15.53

0.002

90

null

90

null

90

null

1,641.5

0.3

153

1

153

1

null

5

P n a 21

P 2c -2n

33

Aminotriphenylphosphonium bromide

- C18 H17 Br N P -

- C72 H68 Br4 N4 P4 -

4

1

SH1034

Pohl, E.; Gosink, H. J.; Herbst-Irmer, R.; Noltemeyer, M.; Roesky, H. W.; Sheldrick, G. M.

Structures of amino(triphenyl)phosphonium bromide and amino(triphenyl)phosphonium hexachloroantimonate

Acta Crystallographica Section C

1,993

49

7

1280

1283

10.1107/S0108270192013180

0.71073

MoKα

0.0327

null

0.0598

null

1.102

1.066

null

has coordinates

Pohl, E.; Gosink, H. J.; Herbst-Irmer, R.; Noltemeyer, M.; Roesky, H. W.; Sheldrick, G. M. Structures of amino(triphenyl)phosphonium bromide and amino(triphenyl)phosphonium hexachloroantimonate Acta Crystallographica Section C 49(7) (1993) 1280-1283

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/14/2001499.cif $ #-------------------------------------------------------------------...

2,001,500

14.394

0.001

16.712

0.001

20.177

0.002

90

null

90.44

0.01

90

null

4,853.5

0.7

293

1

293

1

null

6

P 1 21/n 1

-P 2yn

14

Aminotriphenylphosphonium hexachloroantimonate

- C18 H17 Cl6 N P Sb -

- C144 H136 Cl48 N8 P8 Sb8 -

8

2

SH1034

Pohl, E.; Gosink, H. J.; Herbst-Irmer, R.; Noltemeyer, M.; Roesky, H. W.; Sheldrick, G. M.

Structures of amino(triphenyl)phosphonium bromide and amino(triphenyl)phosphonium hexachloroantimonate

Acta Crystallographica Section C

1,993

49

7

1280

1283

10.1107/S0108270192013180

0.71073

MoKα

0.0392

null

0.0667

null

1.049

1.079

null

has coordinates

Pohl, E.; Gosink, H. J.; Herbst-Irmer, R.; Noltemeyer, M.; Roesky, H. W.; Sheldrick, G. M. Structures of amino(triphenyl)phosphonium bromide and amino(triphenyl)phosphonium hexachloroantimonate Acta Crystallographica Section C 49(7) (1993) 1280-1283

176,435

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/15/2001500.cif $ #-------------------------------------------------------------------...

2,001,501

17.573

0.002

17.573

0.002

17.573

0.002

90

null

90

null

90

null

5,426.7

1.1

153

2

153

2

null

5

F -4 3 c

F -4a 2 3

219

- C12 H36 K4 O4 Si4 -

- C96 H288 K32 O32 Si32 -

8

0.083333

SH1040

Pauer, F.; Sheldrick, G. M.

Structure of potassium silanolate at 153 K

Acta Crystallographica Section C

1,993

49

7

1283

1284

10.1107/S0108270193001301

0.71072

MoKα

0.0364

0.0227

null

0.0716

0.0518

null

1.084

null

has coordinates

Pauer, F.; Sheldrick, G. M. Structure of potassium silanolate at 153 K Acta Crystallographica Section C 49(7) (1993) 1283-1284

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/15/2001501.cif $ #-------------------------------------------------------------------...

2,001,502

19.798

0.002

8.009

0.001

14.524

0.002

90

null

94.02

0.01

90

null

2,297.3

0.5

162

null

5

P 1 21/n 1

-P 2yn

14

- C16 H38 N4 Ni O9 -

- C16 H22 N4 Ni O10 -

- C64 H88 N16 Ni4 O40 -

4

1

HA1017

Chinn, P.; Busch, D. H.; Alcock, N. W.

Structure of a phenyl dioxocyclam nickel complex

Acta Crystallographica Section C

1,993

49

7

1284

1286

10.1107/S0108270193000228

0.71069

MoKα

null

0.052

null

0.079

null

1.83

null

has coordinates

Chinn, P.; Busch, D. H.; Alcock, N. W. Structure of a phenyl dioxocyclam nickel complex Acta Crystallographica Section C 49(7) (1993) 1284-1286

278,324

2022-10-03

14:41:53

#------------------------------------------------------------------------------ #$Date: 2022-10-03 17:40:12 +0300 (Mon, 03 Oct 2022) $ #$Revision: 278324 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/15/2001502.cif $ #-------------------------------------------------------------------...

7,205,612

8.7005

0.0019

5.9331

0.0013

10.929

0.002

90

null

94.65

0.004

90

null

562.3

0.2

150

2

150

2

null

4

P 1 21 1

P 2yb

4

(S)-2-Amino-3-(4-hydroxyphenyl)propionic acid hydrogen peroxide disolvate

- C9 H15 N O7 -

- C18 H30 N2 O14 -

2

1

Prikhodchenko, Petr V.; Medvedev, Alexander G.; Tripol'skaya, Tatiana A.; Churakov, Andrei V.; Wolanov, Yitzhak; Howard, Judith A. K.; Lev, Ovadia

Crystal structures of natural amino acid perhydrates

CrystEngComm

2,011

13

7

2399

10.1039/c0ce00481b

0.71073

MoKα

0.0481

0.0419

null

0.0951

0.0982

null

1.047

null

has coordinates

Prikhodchenko, Petr V.; Medvedev, Alexander G.; Tripol'skaya, Tatiana A.; Churakov, Andrei V.; Wolanov, Yitzhak; Howard, Judith A. K.; Lev, Ovadia Crystal structures of natural amino acid perhydrates CrystEngComm 13(7) (2011) 2399

301,863

2025-08-22

13:07:26

#------------------------------------------------------------------------------ #$Date: 2025-08-22 15:50:14 +0300 (Fri, 22 Aug 2025) $ #$Revision: 301863 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/56/7205612.cif $ #-------------------------------------------------------------------...

2,001,503

7.189

0.001

7.125

0.002

11.034

0.002

103.16

0.02

96.74

0.02

99.41

0.02

535.9

0.2

295

null

4

P -1

-P 1

2

- C14 H16 K4 O14 -

- C14 H20 K4 O14 -

1

0.5

ST0593

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

Structures of tetrapotassium, tetrarubidium and tetracaesium 1,4,5,8-naphthalenetetracarboxylate hexahydrates

Acta Crystallographica Section C

1,993

49

7

1287

1294

10.1107/S0108270193000411

0.71073

MoKᾱ

null

0.034

null

0.043

null

1.71

null

has coordinates

Fitzgerald, L. J.; Gallucci, J. C.; Gerkin, R. E. Structures of tetrapotassium, tetrarubidium and tetracaesium 1,4,5,8-naphthalenetetracarboxylate hexahydrates Acta Crystallographica Section C 49(7) (1993) 1287-1294

278,247

2022-09-28

15:09:31

#------------------------------------------------------------------------------ #$Date: 2022-09-28 18:08:17 +0300 (Wed, 28 Sep 2022) $ #$Revision: 278247 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/15/2001503.cif $ #-------------------------------------------------------------------...

2,001,504

7.28

0.001

7.378

0.001

11.179

0.001

102.54

0.01

98.15

0.01

99.51

0.01

568.14

0.13

295

null

4

P -1

-P 1

2

- C14 H16 O14 Rb4 -

1

0.5

ST0593

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

Structures of tetrapotassium, tetrarubidium and tetracaesium 1,4,5,8-naphthalenetetracarboxylate hexahydrates

Acta Crystallographica Section C

1,993

49

7

1287

1294

10.1107/S0108270193000411

0.71073

MoKᾱ

null

0.032

null

0.033

null

1.15

null

has coordinates

Fitzgerald, L. J.; Gallucci, J. C.; Gerkin, R. E. Structures of tetrapotassium, tetrarubidium and tetracaesium 1,4,5,8-naphthalenetetracarboxylate hexahydrates Acta Crystallographica Section C 49(7) (1993) 1287-1294

278,247

2022-09-28

15:09:31

#------------------------------------------------------------------------------ #$Date: 2022-09-28 18:08:17 +0300 (Wed, 28 Sep 2022) $ #$Revision: 278247 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/15/2001504.cif $ #-------------------------------------------------------------------...

2,001,505

7.517

0.001

7.637

0.002

11.355

0.001

101.84

0.03

99.53

0.01

100.4

0.01

613.5

0.2

295

null

4

P -1

-P 1

2

- C14 H16 Cs4 O14 -

1

0.5

ST0593

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

Structures of tetrapotassium, tetrarubidium and tetracaesium 1,4,5,8-naphthalenetetracarboxylate hexahydrates

Acta Crystallographica Section C

1,993

49

7

1287

1294

10.1107/S0108270193000411

0.71073

MoKᾱ

null

0.029

null

0.039

null

1.83

null

has coordinates

Fitzgerald, L. J.; Gallucci, J. C.; Gerkin, R. E. Structures of tetrapotassium, tetrarubidium and tetracaesium 1,4,5,8-naphthalenetetracarboxylate hexahydrates Acta Crystallographica Section C 49(7) (1993) 1287-1294

278,247

2022-09-28

15:09:31

#------------------------------------------------------------------------------ #$Date: 2022-09-28 18:08:17 +0300 (Wed, 28 Sep 2022) $ #$Revision: 278247 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/15/2001505.cif $ #-------------------------------------------------------------------...

2,001,506

11.302

0.002

11.814

0.001

10.457

0.001

97.09

0.02

109.44

0.02

77.89

0.01

1,285.2

0.3

295

null

6

P -1

-P 1

2

- C24 H18 Ag2 Cu N8 O -

- C24 H16 Ag2 Cu N8 O -

- C48 H32 Ag4 Cu2 N16 O2 -

2

1

KA1014

Černák, J.; Gérard, F.; Chomič, J.

catena-Poly[silver(I)-μ-(cyano-C:N)-cis-bis(2,2'-bipyridine-N,N')copper(II)-μ-(cyano-N:C)] dicyanoargentate(I) monohydrate

Acta Crystallographica Section C

1,993

49

7

1294

1296

10.1107/S010827019300037X

0.7093

MoKα

null

0.0291

null

0.0387

null

1.1911

null

has coordinates

Černák, J.; Gérard, F.; Chomič, J. catena-Poly[silver(I)-μ-(cyano-C:N)-cis-bis(2,2'-bipyridine-N,N')copper(II)-μ-(cyano-N:C)] dicyanoargentate(I) monohydrate Acta Crystallographica Section C 49(7) (1993) 1294-1296

278,245

2022-09-28

14:26:39

#------------------------------------------------------------------------------ #$Date: 2022-09-28 17:26:38 +0300 (Wed, 28 Sep 2022) $ #$Revision: 278245 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/15/2001506.cif $ #-------------------------------------------------------------------...

7,205,611

6.129

0.003

6.387

0.003

17.177

0.007

90

null

90

null

90

null

672.4

0.5

150

2

150

2

null

4

P 21 21 21

P 2ac 2ab

19

(2S,3R)-2-Amino-3-hydroxybutyric acid hydrogen peroxide solvate

- C4 H11 N O5 -

- C16 H44 N4 O20 -

4

1

Prikhodchenko, Petr V.; Medvedev, Alexander G.; Tripol'skaya, Tatiana A.; Churakov, Andrei V.; Wolanov, Yitzhak; Howard, Judith A. K.; Lev, Ovadia

Crystal structures of natural amino acid perhydrates

CrystEngComm

2,011

13

7

2399

10.1039/c0ce00481b

0.71073

MoKα

0.0382

0.0372

null

0.092

0.0928

null

1.179

null

has coordinates

Prikhodchenko, Petr V.; Medvedev, Alexander G.; Tripol'skaya, Tatiana A.; Churakov, Andrei V.; Wolanov, Yitzhak; Howard, Judith A. K.; Lev, Ovadia Crystal structures of natural amino acid perhydrates CrystEngComm 13(7) (2011) 2399

301,863

2025-08-22

13:07:26

#------------------------------------------------------------------------------ #$Date: 2025-08-22 15:50:14 +0300 (Fri, 22 Aug 2025) $ #$Revision: 301863 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/56/7205611.cif $ #-------------------------------------------------------------------...

2,001,507

8.088

0.001

7.456

0.002

13.371

0.004

90

null

92.83

0.02

90

null

805.3

0.3

295

2

null

4

P 1 21/n 1

-P 2yn

14

- C10 H20 O10 Rh2 -

- C20 H40 O20 Rh4 -

2

0.5

DU1013

Noinville, V.; Viossat, B.; Dung, Nguyen-Huy

Isotypie entre les structures cristallines des tétrakis(μ-acétato)bis(méthanol) dicuivre(II) et de dirhodium(II)

Acta Crystallographica Section C

1,993

49

7

1297

1298

10.1107/S0108270193000022

0.7107

MoKα

null

0.035

null

0.031

null

1.5

null

has coordinates

Noinville, V.; Viossat, B.; Dung, Nguyen-Huy Isotypie entre les structures cristallines des tétrakis(μ-acétato)bis(méthanol) dicuivre(II) et de dirhodium(II) Acta Crystallographica Section C 49(7) (1993) 1297-1298

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/15/2001507.cif $ #-------------------------------------------------------------------...

2,001,508

8.277

0.001

12.72

0.002

11.887

0.002

90

null

91

0.1

90

null

1,251.3

0.3

295

2

null

6

C 1 2/c 1

-C 2yc

null

- C6 H6 Br2 Cl2 Cu N4 -

- C24 H24 Br8 Cl8 Cu4 N16 -

4

0.5

NA1027

Valle, G.; Sánchez González, A.; Ettorre, R.

Structure of dibromobis(2-chloroimidazole)copper(II)

Acta Crystallographica Section C

1,993

49

7

1298

1300

10.1107/S0108270193001209

0.7107

MoKα

null

0.074

null

0.076

null

0.83

null

has coordinates

Valle, G.; Sánchez González, A.; Ettorre, R. Structure of dibromobis(2-chloroimidazole)copper(II) Acta Crystallographica Section C 49(7) (1993) 1298-1300

176,435

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/15/2001508.cif $ #-------------------------------------------------------------------...

2,001,509

11.244

0.003

12.775

0.002

21.05

0.005

97.26

0.02

103.03

0.02

89.84

0.02

2,921.2

1.2

295

null

7

P -1

-P 1

2

- C56 H140 As4 Mo12 N10 Na2 O74 -

- C56 H104 As4 Mo12 N10 Na2 O74 -

1

0.5

LI1006

You, X.-Z.; Li, H.-L.; Yu, K.-B.; Li, L.

Hexaaquadisodium hexakis(tetramethylammonium) bis[bis(3-acetylamino-4-hydroxyphenylarsonato)aquaoctadecaoxohexamolybdate] decahydrate: [Na~2~(H~2~O)~6~][(CH~3~)~4~N]~6~[Mo~6~(C~8~H~8~AsNO~5~)~2~O~18~(H~2~O)]~2~.10H~2~O

Acta Crystallographica Section C

1,993

49

7

1300

1303

10.1107/S010827019201360X

0.71073

Mo

null

0.038

null

0.0397

null

1.365

null

has coordinates

You, X.-Z.; Li, H.-L.; Yu, K.-B.; Li, L. Hexaaquadisodium hexakis(tetramethylammonium) bis[bis(3-acetylamino-4-hydroxyphenylarsonato)aquaoctadecaoxohexamolybdate] decahydrate: [Na~2~(H~2~O)~6~][(CH~3~)~4~N]~6~[Mo~6~(C~8~H~8~AsNO~5~)~2~O~18~(H~2~O)]~2~.10H~2~O Acta Crystallographica Section C 49(7) (1993) 1300-1303

278,247

2022-09-28

15:09:31

#------------------------------------------------------------------------------ #$Date: 2022-09-28 18:08:17 +0300 (Wed, 28 Sep 2022) $ #$Revision: 278247 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/15/2001509.cif $ #-------------------------------------------------------------------...

2,001,510

7.111

0.002

8.042

0.001

8.045

0.002

78.65

0.02

87.02

0.02

70.04

0.02

423.92

0.18

200

null

5

P -1

-P 1

2

- C8 H13 Cl6 N4 Nb -

- C8 H14 Cl6 N4 Nb -

1

0.5

CD1013

Therrien, B.; Beauchamp, A. L.

Structures of hexachloroniobate(V) salts of the 1-methylimidazole/1-methylimidazolium and 2-methylimidazolium cations

Acta Crystallographica Section C

1,993

49

7

1303

1307

10.1107/S0108270192012952

0.71069

MoKᾱ

null

0.056

null

0.057

null

2.69

null

has coordinates

Therrien, B.; Beauchamp, A. L. Structures of hexachloroniobate(V) salts of the 1-methylimidazole/1-methylimidazolium and 2-methylimidazolium cations Acta Crystallographica Section C 49(7) (1993) 1303-1307

278,247

2022-09-28

15:09:31

#------------------------------------------------------------------------------ #$Date: 2022-09-28 18:08:17 +0300 (Wed, 28 Sep 2022) $ #$Revision: 278247 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/15/2001510.cif $ #-------------------------------------------------------------------...

2,001,511

21.43

0.01

6.851

0.002

17.65

0.01

90

null

99.41

0.02

90

null

2,556

2

200

null

5

C 1 2/c 1

-C 2yc

null

- C4 H7 Cl6 N2 Nb -

- C32 H56 Cl48 N16 Nb8 -

8

1

CD1013

Therrien, B.; Beauchamp, A. L.

Structures of hexachloroniobate(V) salts of the 1-methylimidazole/1-methylimidazolium and 2-methylimidazolium cations

Acta Crystallographica Section C

1,993

49

7

1303

1307

10.1107/S0108270192012952

0.71069

MoKᾱ

null

0.03

null

0.038

null

1.16

null

has coordinates

Therrien, B.; Beauchamp, A. L. Structures of hexachloroniobate(V) salts of the 1-methylimidazole/1-methylimidazolium and 2-methylimidazolium cations Acta Crystallographica Section C 49(7) (1993) 1303-1307

176,435

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/15/2001511.cif $ #-------------------------------------------------------------------...

7,205,610

10.0268

0.0016

7.2283

0.0012

14.15

0.002

90

null

92.78

0.003

90

null

1,024.3

0.3

120

2

120

2

null

4

C 1 2 1

C 2y

5

(S)-2-Amino-3-phenylpropionic acid hydrogen peroxide solvate hemihydrate

- C9 H14 N O4.5 -

- C36 H56 N4 O18 -

4

1

Prikhodchenko, Petr V.; Medvedev, Alexander G.; Tripol'skaya, Tatiana A.; Churakov, Andrei V.; Wolanov, Yitzhak; Howard, Judith A. K.; Lev, Ovadia

Crystal structures of natural amino acid perhydrates

CrystEngComm

2,011

13

7

2399

10.1039/c0ce00481b

0.71073

MoKα

0.0364

0.0315

null

0.0788

0.0809

null

1.076

null

has coordinates

Prikhodchenko, Petr V.; Medvedev, Alexander G.; Tripol'skaya, Tatiana A.; Churakov, Andrei V.; Wolanov, Yitzhak; Howard, Judith A. K.; Lev, Ovadia Crystal structures of natural amino acid perhydrates CrystEngComm 13(7) (2011) 2399

301,863

2025-08-22

13:07:26

#------------------------------------------------------------------------------ #$Date: 2025-08-22 15:50:14 +0300 (Fri, 22 Aug 2025) $ #$Revision: 301863 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/56/7205610.cif $ #-------------------------------------------------------------------...

2,001,512

14.581

0.009

14.62

0.01

16.88

0.01

102.4

0.02

105.45

0.02

113.53

0.02

2,963

3

293

null

6

P -1

-P 1

2

- C60 H40 As2 N6 Se6 Sn -

- C60 As2 N6 Se6 Sn -

- C120 As4 N12 Se12 Sn2 -

2

1

SH1016

Gruss, D.; Hummel, H.-U.

Structure of [As(C~6~H~5~)~4~]~2~[Sn{Se~2~C=C(CN)~2~}~3~]

Acta Crystallographica Section C

1,993

49

7

1307

1309

10.1107/S0108270192012812

0.7099

MoKα

null

0.062

null

0.055

null

1.712

null

has coordinates

Gruss, D.; Hummel, H.-U. Structure of [As(C~6~H~5~)~4~]~2~[Sn{Se~2~C=C(CN)~2~}~3~] Acta Crystallographica Section C 49(7) (1993) 1307-1309

278,247

2022-09-28

15:09:31

#------------------------------------------------------------------------------ #$Date: 2022-09-28 18:08:17 +0300 (Wed, 28 Sep 2022) $ #$Revision: 278247 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/15/2001512.cif $ #-------------------------------------------------------------------...

2,001,513

12.24

0.002

12.642

0.002

14.039

0.002

103.86

0.01

104.16

0.01

90.62

0.01

2,039.5

0.6

153

1

153

1

null

5

P -1

-P 1

2

Bis[(trimethylsilylmethoxy)bis(trimethylsilylmethyl)gallium]

- C24 H66 Ga2 O2 Si6 -

- C48 H132 Ga4 O4 Si12 -

2

1

HL1019

Dembowski, U.; Pape, T.; Herbst-Irmer, R.; Pohl, E.; Roesky, H. W.; Sheldrick, G. M.

Structure of bis-μ-[(trimethylsilylmethanolato-O)-bis(trimethylsilylmethyl)gallium] and bis-μ-[(trimethylsilylmethanolato-O)-bis(trimethylsilylmethyl)indium]

Acta Crystallographica Section C

1,993

49

7

1309

1311

10.1107/S0108270192013337

0.71073

MoKα

0.0744

0.0441

null

0.1015

0.0822

null

1.109

1.054

null

has coordinates

Dembowski, U.; Pape, T.; Herbst-Irmer, R.; Pohl, E.; Roesky, H. W.; Sheldrick, G. M. Structure of bis-μ-[(trimethylsilylmethanolato-O)-bis(trimethylsilylmethyl)gallium] and bis-μ-[(trimethylsilylmethanolato-O)-bis(trimethylsilylmethyl)indium] Acta Crystallographica Section C 49(7) (1993) 1309-1311

201,955

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-10-13 03:08:28 +0300 (Fri, 13 Oct 2017) $ #$Revision: 201955 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/15/2001513.cif $ #-------------------------------------------------------------------...

2,001,514

9.887

0.004

11.879

0.004

17.586

0.006

104.4

0.02

93.43

0.03

94.66

0.02

1,987.1

1.3

153

1

153

1

null

5

P -1

-P 1

2

Bis((trimethylsiloxy)bis(trimethylsilylmethyl)indium)

- C22 H62 In2 O2 Si6 -

- C44 H124 In4 O4 Si12 -

2

1

HL1019

Dembowski, U.; Pape, T.; Herbst-Irmer, R.; Pohl, E.; Roesky, H. W.; Sheldrick, G. M.

Structure of bis-μ-[(trimethylsilylmethanolato-O)-bis(trimethylsilylmethyl)gallium] and bis-μ-[(trimethylsilylmethanolato-O)-bis(trimethylsilylmethyl)indium]

Acta Crystallographica Section C

1,993

49

7

1309

1311

10.1107/S0108270192013337

0.71073

MoKα

0.0356

0.026

null

0.0627

0.0543

null

1.069

1.049

null

has coordinates

Dembowski, U.; Pape, T.; Herbst-Irmer, R.; Pohl, E.; Roesky, H. W.; Sheldrick, G. M. Structure of bis-μ-[(trimethylsilylmethanolato-O)-bis(trimethylsilylmethyl)gallium] and bis-μ-[(trimethylsilylmethanolato-O)-bis(trimethylsilylmethyl)indium] Acta Crystallographica Section C 49(7) (1993) 1309-1311

201,955

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-10-13 03:08:28 +0300 (Fri, 13 Oct 2017) $ #$Revision: 201955 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/15/2001514.cif $ #-------------------------------------------------------------------...

2,001,515

11.841

0.006

7.85

0.006

11.586

0.006

90

null

96.028

0.019

90

null

1,071

1.1

298

null

5

P 1 21/c 1

-P 2ybc

null

- C22 H14 Cu O4 S4 -

- C30 H20 Cu O4 S6 -

- C60 H40 Cu2 O8 S12 -

2

0.5

HU1005

Baxter, L. A. M.; Blake, A. J.; Gould, R. O.; Heath, G. A.; Stephenson, T. A.

Cu^II^ and Pd^II^ complexes of 3-hydroxy-1,3-bis(2-thienyl)prop-2-en-1-one

Acta Crystallographica Section C

1,993

49

7

1311

1315

10.1107/S0108270192012691

0.71073

MoKα

null

0.0398

null

0.0668

null

0.659

null

has coordinates

Baxter, L. A. M.; Blake, A. J.; Gould, R. O.; Heath, G. A.; Stephenson, T. A. Cu^II^ and Pd^II^ complexes of 3-hydroxy-1,3-bis(2-thienyl)prop-2-en-1-one Acta Crystallographica Section C 49(7) (1993) 1311-1315

176,435

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/15/2001515.cif $ #-------------------------------------------------------------------...

7,205,609

10.0728

0.0007

7.394

0.0006

12.194

0.0007

90

null

91.839

0.003

90

null

907.72

0.11

120

2

120

2

null

4

C 1 2 1

C 2y

5

(2S,3S)-2-Amino-3-methylpentanoic acid hydrogen peroxide solvate hemihydrate

- C6 H16 N O4.5 -

- C24 H64 N4 O18 -

4

1

Prikhodchenko, Petr V.; Medvedev, Alexander G.; Tripol'skaya, Tatiana A.; Churakov, Andrei V.; Wolanov, Yitzhak; Howard, Judith A. K.; Lev, Ovadia

Crystal structures of natural amino acid perhydrates

CrystEngComm

2,011

13

7

2399

10.1039/c0ce00481b

0.71073

MoKα

0.0351

0.0295

null

0.0671

0.0691

null

1.045

null

has coordinates

Prikhodchenko, Petr V.; Medvedev, Alexander G.; Tripol'skaya, Tatiana A.; Churakov, Andrei V.; Wolanov, Yitzhak; Howard, Judith A. K.; Lev, Ovadia Crystal structures of natural amino acid perhydrates CrystEngComm 13(7) (2011) 2399

301,863

2025-08-22

13:07:26

#------------------------------------------------------------------------------ #$Date: 2025-08-22 15:50:14 +0300 (Fri, 22 Aug 2025) $ #$Revision: 301863 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/56/7205609.cif $ #-------------------------------------------------------------------...

2,001,516

11.892

0.004

7.943

0.004

11.582

0.003

90

null

98.02

0.03

90

null

1,083.3

0.7

298

null

5

P 1 21/c 1

-P 2ybc

null

- C22 H14 O4 Pd S4 -

- C30 H20 O4 Pd S6 -

- C60 H40 O8 Pd2 S12 -

2

0.5

HU1005

Baxter, L. A. M.; Blake, A. J.; Gould, R. O.; Heath, G. A.; Stephenson, T. A.

Cu^II^ and Pd^II^ complexes of 3-hydroxy-1,3-bis(2-thienyl)prop-2-en-1-one

Acta Crystallographica Section C

1,993

49

7

1311

1315

10.1107/S0108270192012691

0.71073

MoKα

null

0.03

null

0.0434

null

1.207

null

has coordinates

Baxter, L. A. M.; Blake, A. J.; Gould, R. O.; Heath, G. A.; Stephenson, T. A. Cu^II^ and Pd^II^ complexes of 3-hydroxy-1,3-bis(2-thienyl)prop-2-en-1-one Acta Crystallographica Section C 49(7) (1993) 1311-1315

176,435

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/15/2001516.cif $ #-------------------------------------------------------------------...

2,001,517

9.752

0.002

11.68

0.002

9.203

0.002

92.43

0.02

115.3

0.01

110.13

0.01

867.4

0.3

296

null

5

P -1

-P 1

2

- C12 H26 O5 P2 Pt -

- C12 H24 O5 P2 Pt -

- C24 H48 O10 P4 Pt2 -

2

1

AS1035

Suzuki, Y.; Miyamoto, T. K.; Ichida, H.

(1,1-Cyclobutanedicarboxylato-O,O')bis(trimethylphosphine-P)platinum(II) monohydrate

Acta Crystallographica Section C

1,993

49

7

1315

1317

10.1107/S0108270192013489

0.71069

MoKα

null

0.041

null

0.044

null

1.57

null

has coordinates

Suzuki, Y.; Miyamoto, T. K.; Ichida, H. (1,1-Cyclobutanedicarboxylato-O,O')bis(trimethylphosphine-P)platinum(II) monohydrate Acta Crystallographica Section C 49(7) (1993) 1315-1317

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/15/2001517.cif $ #-------------------------------------------------------------------...

2,001,518

16.662

0.002

12.99

0.002

12.226

0.002

90

null

90

null

90

null

2,646.2

0.7

297

null

5

P b c a

-P 2ac 2ab

61

- C8 H18 O4 P2 Pt -

- C64 H144 O32 P16 Pt8 -

8

1

AS1038

Suzuki, Y.; Miyamoto, T. K.; Ichida, H.

(Oxalato-O,O')bis(trimethylphosphine)platinum(II)

Acta Crystallographica Section C

1,993

49

7

1317

1318

10.1107/S0108270192013490

0.71069

MoKα

null

0.04

null

0.044

null

1.68

null

has coordinates

Suzuki, Y.; Miyamoto, T. K.; Ichida, H. (Oxalato-O,O')bis(trimethylphosphine)platinum(II) Acta Crystallographica Section C 49(7) (1993) 1317-1318

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/15/2001518.cif $ #-------------------------------------------------------------------...

2,001,519

8.514

0.001

14.76

0.001

11.36

0.002

90

null

98.79

0.01

90

null

1,410.8

0.3

296

null

6

P 1 21/c 1

-P 2ybc

14

- C6 H18 N2 O6 P2 Pt -

- C24 H72 N8 O24 P8 Pt4 -

4

1

AS1039

Suzuki, Y.; Miyamoto, T. K.; Ichida, H.

[SP-4-2]-Dinitratobis(trimethylphosphine)platinum(II)

Acta Crystallographica Section C

1,993

49

7

1318

1320

10.1107/S0108270192013507

0.71069

MoKα

null

0.044

null

0.045

null

1.38

null

has coordinates

Suzuki, Y.; Miyamoto, T. K.; Ichida, H. [SP-4-2]-Dinitratobis(trimethylphosphine)platinum(II) Acta Crystallographica Section C 49(7) (1993) 1318-1320

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/15/2001519.cif $ #-------------------------------------------------------------------...

2,001,520

25.008

0.004

14.045

0.002

17.378

0.003

90

null

112.39

0.01

90

null

5,643.7

1.6

293

null

293

null

8

P 1 21/a 1

-P 2yab

14

iucr: bis-μ-(2-{[(diphenylphosphino)propyl](phenyl)phosphino}phenyl)- 1κC^1^:2κ^2^P,P';1κ^2^P,P':2κC^1^-μ-hydroxo-diplatinum(II) tetrafluoroborate bis(dichloromethane) solvate author: μHydroxy-bis(1-(diphenylphosphino)-3-(μ-ortho-phenyl, phenylphosphino)propane platinum(II)) tetrafluoroborate disolvate (solvent=dichlor...

- C56 H55 B Cl4 F4 O P4 Pt2 -

- C224 H220 B4 Cl16 F16 O4 P16 Pt8 -

4

1

CD1032

Bennett, M. A.; Berry, D. E.; Beveridge, K. A.; Browning, J.; Russow, M. P.

μ-Hydroxo diplatinum(II) complex containing bridging cyclometallated 1,3-bis(diphenylphosphino)propane as the tetrafluoroborate salt

Acta Crystallographica Section C

1,993

49

7

1320

1322

10.1107/S0108270193000010

0.71069

MoKα

null

0.0597

null

0.0619

null

1.8532

null

has coordinates

Bennett, M. A.; Berry, D. E.; Beveridge, K. A.; Browning, J.; Russow, M. P. μ-Hydroxo diplatinum(II) complex containing bridging cyclometallated 1,3-bis(diphenylphosphino)propane as the tetrafluoroborate salt Acta Crystallographica Section C 49(7) (1993) 1320-1322

202,202

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-10-20 19:41:54 +0300 (Fri, 20 Oct 2017) $ #$Revision: 202202 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/15/2001520.cif $ #-------------------------------------------------------------------...

7,205,608

8.0479

0.0014

9.6064

0.0017

9.7464

0.0017

81.813

0.003

81.415

0.002

88.676

0.003

737.5

0.2

150

2

150

2

null

4

P -1

-P 1

2

2-aminobutyric acid hydrogen peroxide sesquisolvate

- C8 H24 N2 O10 -

- C16 H48 N4 O20 -

2

1

Prikhodchenko, Petr V.; Medvedev, Alexander G.; Tripol'skaya, Tatiana A.; Churakov, Andrei V.; Wolanov, Yitzhak; Howard, Judith A. K.; Lev, Ovadia

Crystal structures of natural amino acid perhydrates

CrystEngComm

2,011

13

7

2399

10.1039/c0ce00481b

0.71073

MoKα

0.0404

0.0349

null

0.0908

0.094

null

1.073

null

has coordinates

Prikhodchenko, Petr V.; Medvedev, Alexander G.; Tripol'skaya, Tatiana A.; Churakov, Andrei V.; Wolanov, Yitzhak; Howard, Judith A. K.; Lev, Ovadia Crystal structures of natural amino acid perhydrates CrystEngComm 13(7) (2011) 2399

301,863

2025-08-22

13:07:26

#------------------------------------------------------------------------------ #$Date: 2025-08-22 15:50:14 +0300 (Fri, 22 Aug 2025) $ #$Revision: 301863 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/56/7205608.cif $ #-------------------------------------------------------------------...

2,001,521

9.71

0.002

9.71

0.002

25.746

0.006

90

null

90

null

120

null

2,102.2

0.8

295

2

null

3

P 31 2 1

P 31 2"

152

- C20 Co6 O18 -

- C60 Co18 O54 -

3

0.5

HH1034

Geiser, U.; Kini, A. M.

Structure of the trigonal phase of bis(methinyltricobaltenneacarbonyl), [CCo~3~(CO)~9~]~2~

Acta Crystallographica Section C

1,993

49

7

1322

1324

10.1107/S010827019300085X

0.7107

MoKα

null

0.025

null

0.023

null

0.948

null

has coordinates

Geiser, U.; Kini, A. M. Structure of the trigonal phase of bis(methinyltricobaltenneacarbonyl), [CCo~3~(CO)~9~]~2~ Acta Crystallographica Section C 49(7) (1993) 1322-1324

277,834

2022-09-14

16:39:43

#------------------------------------------------------------------------------ #$Date: 2022-09-14 19:38:48 +0300 (Wed, 14 Sep 2022) $ #$Revision: 277834 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/15/2001521.cif $ #-------------------------------------------------------------------...

2,001,522

8.4008

0.0007

18.178

0.002

15.164

0.002

90

null

93.803

0.007

90

null

2,310.6

0.4

297

null

6

P 1 21/n 1

-P 2yn

14

- C20 H24 N2 Ni P2 S2 -

- C80 H96 N8 Ni4 P8 S8 -

4

1

AB1033

Juma, B.; Fronczek, F. R.; Stanley, G. G.

Structures of nickel(II) bis- and trisphosphine diisothiocyanate complexes

Acta Crystallographica Section C

1,993

49

7

1325

1328

10.1107/S0108270193000770

1.54184

CuKα

null

0.039

null

0.05

null

2.154

null

has coordinates

Juma, B.; Fronczek, F. R.; Stanley, G. G. Structures of nickel(II) bis- and trisphosphine diisothiocyanate complexes Acta Crystallographica Section C 49(7) (1993) 1325-1328

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/15/2001522.cif $ #-------------------------------------------------------------------...

2,001,523

7.602

0.002

20.599

0.002

20.712

0.004

90

null

97.98

0.02

90

null

3,212

1.1

298

null

6

P 1 21/n 1

-P 2yn

14

- C32 H33 N2 Ni P3 S2 -

- C128 H132 N8 Ni4 P12 S8 -

4

1

AB1033

Juma, B.; Fronczek, F. R.; Stanley, G. G.

Structures of nickel(II) bis- and trisphosphine diisothiocyanate complexes

Acta Crystallographica Section C

1,993

49

7

1325

1328

10.1107/S0108270193000770

1.54184

CuKα

null

0.081

null

0.089

null

3.23

null

has coordinates

Juma, B.; Fronczek, F. R.; Stanley, G. G. Structures of nickel(II) bis- and trisphosphine diisothiocyanate complexes Acta Crystallographica Section C 49(7) (1993) 1325-1328

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/15/2001523.cif $ #-------------------------------------------------------------------...

2,001,524

10.809

0.003

10.947

0.006

10.955

0.004

108.02

0.04

93.66

0.03

118.44

0.03

1,048.8

0.9

298

null

6

P -1

-P 1

2

- C10 H20 I2 N2 S4 Te -

- C12 I2 N2 S4 Te -

- C24 I4 N4 S8 Te2 -

2

1

AB1024

Kumar, R. K.; Aravamudan, G.; Udupa, M. R.; Seshasayee, M.; Hamor, T. A.

Structure of bis(diethyldithiocarbamato)diiodotellurium(IV)

Acta Crystallographica Section C

1,993

49

7

1328

1330

10.1107/S0108270192012745

0.71069

MoKα

null

0.042

null

0.051

null

0.995

null

has coordinates

Kumar, R. K.; Aravamudan, G.; Udupa, M. R.; Seshasayee, M.; Hamor, T. A. Structure of bis(diethyldithiocarbamato)diiodotellurium(IV) Acta Crystallographica Section C 49(7) (1993) 1328-1330

278,247

2022-09-28

15:09:31

#------------------------------------------------------------------------------ #$Date: 2022-09-28 18:08:17 +0300 (Wed, 28 Sep 2022) $ #$Revision: 278247 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/15/2001524.cif $ #-------------------------------------------------------------------...

2,001,525

8.115

0.001

13.998

0.001

13.919

0.001

90

null

104.19

0.007

90

null

1,532.9

0.2

294

1

null

6

P 1 21/n 1

-P 2yn

14

- C12 H20 Au Cl N4 O2 -

- C12 H18 Au Cl N4 O3 -

- C48 H72 Au4 Cl4 N16 O12 -

4

1

BR1023

Lock, C. J. L.; Wang, Z.

Bis(4-hydroxymethyl-1,5-dimethylimidazole-N^3^)gold(I) chloride

Acta Crystallographica Section C

1,993

49

7

1330

1333

10.1107/S0108270193000848

0.71073

MoKα

null

0.044

null

0.033

null

1.81

null

has coordinates

Lock, C. J. L.; Wang, Z. Bis(4-hydroxymethyl-1,5-dimethylimidazole-N^3^)gold(I) chloride Acta Crystallographica Section C 49(7) (1993) 1330-1333

278,324

2022-10-03

14:41:53

#------------------------------------------------------------------------------ #$Date: 2022-10-03 17:40:12 +0300 (Mon, 03 Oct 2022) $ #$Revision: 278324 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/15/2001525.cif $ #-------------------------------------------------------------------...

7,205,607

7.2854

0.0004

8.0045

0.0005

9.6698

0.0006

79.485

0.001

72.238

0.001

87.275

0.001

527.99

0.05

150

2

150

2

null

4

P -1

-P 1

2

glycine hydrogen peroxide sesquisolvate

- C4 H16 N2 O10 -

- C8 H32 N4 O20 -

2

1

Prikhodchenko, Petr V.; Medvedev, Alexander G.; Tripol'skaya, Tatiana A.; Churakov, Andrei V.; Wolanov, Yitzhak; Howard, Judith A. K.; Lev, Ovadia

Crystal structures of natural amino acid perhydrates

CrystEngComm

2,011

13

7

2399

10.1039/c0ce00481b

0.71073

MoKα

0.0315

0.0291

null

0.0812

0.0828

null

1.048

null

has coordinates

Prikhodchenko, Petr V.; Medvedev, Alexander G.; Tripol'skaya, Tatiana A.; Churakov, Andrei V.; Wolanov, Yitzhak; Howard, Judith A. K.; Lev, Ovadia Crystal structures of natural amino acid perhydrates CrystEngComm 13(7) (2011) 2399

180,387

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-26 17:19:08 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180387 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/56/7205607.cif $ #-------------------------------------------------------------------...

2,001,526

10.574

0.003

11.037

0.003

13.58

0.004

86.96

0.02

76.7

0.02

78.32

0.02

1,510.4

0.8

294

1

null

7

P -1

-P 1

2

- C29 H29 F6 N O P2 Ru -

- C58 H58 F12 N2 O2 P4 Ru2 -

2

1

HE1004

Simpson, S. J.

(tert-Butyl isocyano-C)(carbonyl)(η^5^-cyclopentadienyl)(triphenylphosphine-P)ruthenium(II) hexafluorophosphate

Acta Crystallographica Section C

1,993

49

7

1333

1335

10.1107/S0108270193000733

0.71073

MoKα

null

0.0436

null

0.0604

null

2.12

null

has coordinates

Simpson, S. J. (tert-Butyl isocyano-C)(carbonyl)(η^5^-cyclopentadienyl)(triphenylphosphine-P)ruthenium(II) hexafluorophosphate Acta Crystallographica Section C 49(7) (1993) 1333-1335

278,247

2022-09-28

15:09:31

#------------------------------------------------------------------------------ #$Date: 2022-09-28 18:08:17 +0300 (Wed, 28 Sep 2022) $ #$Revision: 278247 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/15/2001526.cif $ #-------------------------------------------------------------------...

2,001,527

14.073

0.001

14.073

0.001

14.073

0.001

90

null

90

null

90

null

2,787.1

0.3

293

null

5

P a -3

-P 2ac 2ab 3

null

- C3 H12 F6 Ga N9 -

- C3 H18 F6 Ga N9 -

- C24 H144 F48 Ga8 N72 -

8

0.333333

KA1015

Małuszyńska, H.

Structure of guanidinium hexafluorogallate, [C(NH~2~)~3~]~3~GaF~6~

Acta Crystallographica Section C

1,993

49

7

1335

1336

10.1107/S0108270193000368

1.54178

CuKα

null

0.034

null

0.045

null

0.9

null

has coordinates

Małuszyńska, H. Structure of guanidinium hexafluorogallate, [C(NH~2~)~3~]~3~GaF~6~ Acta Crystallographica Section C 49(7) (1993) 1335-1336

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/15/2001527.cif $ #-------------------------------------------------------------------...

2,001,528

8.647

0.006

6.627

0.002

12.118

0.003

90

null

101.58

0.01

90

null

680.3

0.5

296

2

null

5

P 1 21/n 1

-P 2yn

14

- C4 H12 K2 Ni O14 -

- C8 H24 K4 Ni2 O28 -

2

0.5

AB1046

Román, P.; Guzmán-Miralles, C.; Luque, A.

Structure of dipotassium trans-diaquabis(oxalato-O,O')nickelate(II)–water (1/4)

Acta Crystallographica Section C

1,993

49

7

1336

1339

10.1107/S0108270193000940

0.71069

MoKα

null

0.027

null

0.03

null

0.69

null

has coordinates

Román, P.; Guzmán-Miralles, C.; Luque, A. Structure of dipotassium trans-diaquabis(oxalato-O,O')nickelate(II)–water (1/4) Acta Crystallographica Section C 49(7) (1993) 1336-1339

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/15/2001528.cif $ #-------------------------------------------------------------------...

2,001,529

12.053

0.004

18.453

0.006

29.259

0.01

90

null

90

null

90

null

6,508

4

295

null

8

P n m a

-P 2ac 2n

62

- C54.5 H14 Br8 Cl6 F20 N4 O2.5 Zn -

- C64 Br8 Cl12 F20 N4 O2 Zn -

- C256 Br32 Cl48 F80 N16 O8 Zn4 -

4

0.5

HH1024

Marsh, R. E.; Schaefer, W. P.; Hodge, J. A.; Hughes, M. E.; Gray, H. B.; Lyons, J. E.; Ellis, Jnr, P. E.

A highly solvated zinc(II) tetrakis(pentafluorophenyl)-β-octabromoporphyrin

Acta Crystallographica Section C

1,993

49

7

1339

1342

10.1107/S0108270193000642

0.71073

MoKα

null

0.066

null

1.74

null

has coordinates

Marsh, R. E.; Schaefer, W. P.; Hodge, J. A.; Hughes, M. E.; Gray, H. B.; Lyons, J. E.; Ellis, Jnr, P. E. A highly solvated zinc(II) tetrakis(pentafluorophenyl)-β-octabromoporphyrin Acta Crystallographica Section C 49(7) (1993) 1339-1342

278,244

2022-09-28

13:56:22

#------------------------------------------------------------------------------ #$Date: 2022-09-28 16:56:03 +0300 (Wed, 28 Sep 2022) $ #$Revision: 278244 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/15/2001529.cif $ #-------------------------------------------------------------------...

2,001,530

11.794

0.005

14.492

0.004

14.731

0.002

87.51

0.05

73.48

0.05

78.4

0.03

2,364.3

1.4

294

null

6

P -1

-P 1

2

- C45 H2 Cl10 Cu F20 N4 -

- C90 H4 Cl20 Cu2 F40 N8 -

2

1

HH1022

Schaefer, W. P.; Hodge, J. A.; Hughes, M. E.; Gray, H. B.; Lyons, J. E.; Ellis, Jnr, P. E.; Wagner, R. W.

Copper(II) tetrakis(pentafluorophenyl)-β-octachloroporphyrin

Acta Crystallographica Section C

1,993

49

7

1342

1345

10.1107/S0108270193000587

0.71073

MoKα

null

0.052

null

0.014

null

3.75

null

has coordinates

Schaefer, W. P.; Hodge, J. A.; Hughes, M. E.; Gray, H. B.; Lyons, J. E.; Ellis, Jnr, P. E.; Wagner, R. W. Copper(II) tetrakis(pentafluorophenyl)-β-octachloroporphyrin Acta Crystallographica Section C 49(7) (1993) 1342-1345

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/15/2001530.cif $ #-------------------------------------------------------------------...

7,205,606

4.8616

0.0006

9.1187

0.0011

13.2712

0.0016

90

null

90

null

90

null

588.33

0.12

150

2

150

2

null

4

P 21 21 21

P 2ac 2ab

19

(S)-2-Amino-3-hydroxypropionic acid hydrogen peroxide solvate

- C3 H9 N O5 -

- C12 H36 N4 O20 -

4

1

Prikhodchenko, Petr V.; Medvedev, Alexander G.; Tripol'skaya, Tatiana A.; Churakov, Andrei V.; Wolanov, Yitzhak; Howard, Judith A. K.; Lev, Ovadia

Crystal structures of natural amino acid perhydrates

CrystEngComm

2,011

13

7

2399

10.1039/c0ce00481b

0.71073

MoKα

0.0297

0.0294

null

0.0777

0.0782

null

1.13

null

has coordinates

Prikhodchenko, Petr V.; Medvedev, Alexander G.; Tripol'skaya, Tatiana A.; Churakov, Andrei V.; Wolanov, Yitzhak; Howard, Judith A. K.; Lev, Ovadia Crystal structures of natural amino acid perhydrates CrystEngComm 13(7) (2011) 2399

202,017

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-10-14 22:27:35 +0300 (Sat, 14 Oct 2017) $ #$Revision: 202017 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/56/7205606.cif $ #-------------------------------------------------------------------...

2,001,531

11.009

0.005

10.236

0.006

27.627

0.012

90

null

97.02

0.04

90

null

3,090

3

195

1

195

1

null

4

P 1 21/n 1

-P 2yn

14

Trimeric bis(cyclopentadienyl)oxozirconium(IV) benzene solvate

- C36 H36 O3 Zr3 -

- C144 H144 O12 Zr12 -

4

1

HU1023

Mikhailova, O. A.; Minacheva, M. H.; Burlakov, V. V.; Shur, V. B.; Pisarevsky, A. P.; Yanovsky, A. I.; Struchkov, Yu. T.

Trimeric bis(cyclopentadienyl)oxozirconium(IV) benzene solvate

Acta Crystallographica Section C

1,993

49

7

1345

1347

10.1107/S0108270192013349

0.71073

MoKα

0.0884

0.0438

null

0.1677

0.0926

null

1.056

1.02

null

has coordinates

Mikhailova, O. A.; Minacheva, M. H.; Burlakov, V. V.; Shur, V. B.; Pisarevsky, A. P.; Yanovsky, A. I.; Struchkov, Yu. T. Trimeric bis(cyclopentadienyl)oxozirconium(IV) benzene solvate Acta Crystallographica Section C 49(7) (1993) 1345-1347

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/15/2001531.cif $ #-------------------------------------------------------------------...

2,001,532

19.347

0.009

25.289

0.007

9.698

0.003

100.6

0.02

96.02

0.03

76.01

0.03

4,517

3

296

null

5

P -1

-P 1

2

- C16 H10 Co Ni S10 -

- C128 H80 Co8 Ni8 S80 -

8

4

LI1014

Fang, Q.; You, X.-Z.; Cai, J.-H.; He, M.-Y.

Cobaltocenium bis[(4,5-dimercapto-S^4^,S^5^)-1,3-dithiole-2-thionato]nickelate

Acta Crystallographica Section C

1,993

49

7

1347

1350

10.1107/S0108270193000332

0.71069

MoKα

null

0.047

null

0.062

null

1.32

null

has coordinates

Fang, Q.; You, X.-Z.; Cai, J.-H.; He, M.-Y. Cobaltocenium bis[(4,5-dimercapto-S^4^,S^5^)-1,3-dithiole-2-thionato]nickelate Acta Crystallographica Section C 49(7) (1993) 1347-1350

278,247

2022-09-28

15:09:31

#------------------------------------------------------------------------------ #$Date: 2022-09-28 18:08:17 +0300 (Wed, 28 Sep 2022) $ #$Revision: 278247 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/15/2001532.cif $ #-------------------------------------------------------------------...

2,001,533

18.049

0.006

17.661

0.008

23.475

0.01

90

null

92.1

0.03

90

null

7,478

5

290

null

5

P 1 21/n 1

-P 2yn

14

- C40.5 H36.5 Mo O3 P3 -

- C40.5 H33 Mo O3 P3 -

- C324 H264 Mo8 O24 P24 -

8

2

LI1041

Willey, G. R.; Butcher, M. L.; Lakin, M. T.; Downs, G. W.

Structure of tricarbonyltris(diphenylphosphine)molybdenum(0) hexane solvate: fac-[Mo(CO)~3~(PPh~2~H)~3~] ^.^ 0.25C~6~H~14~

Acta Crystallographica Section C

1,993

49

7

1350

1352

10.1107/S0108270193000289

0.71069

MoKα

null

0.062

null

0.066

null

1.1159

null

has coordinates

Willey, G. R.; Butcher, M. L.; Lakin, M. T.; Downs, G. W. Structure of tricarbonyltris(diphenylphosphine)molybdenum(0) hexane solvate: fac-[Mo(CO)~3~(PPh~2~H)~3~] ^.^ 0.25C~6~H~14~ Acta Crystallographica Section C 49(7) (1993) 1350-1352

278,324

2022-10-03

14:41:53

#------------------------------------------------------------------------------ #$Date: 2022-10-03 17:40:12 +0300 (Mon, 03 Oct 2022) $ #$Revision: 278324 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/15/2001533.cif $ #-------------------------------------------------------------------...

2,001,534

18.731

0.004

7.789

0.002

10.371

0.002

90

null

96.32

0.02

90

null

1,503.9

0.6

293

1

293

1

null

5

P 1 21/c 1

-P 2ybc

14

cis-1-Ferrocenyl-2-(2-nitrophenyl)ethylene

- C18 H15 Fe N O2 -

- C72 H60 Fe4 N4 O8 -

4

1

VS1004

Todres, Z. V.; Yanovsky, A. I.; Ermekov, D. S.; Struchkov, Yu. T.

cis-1-Ferrocenyl-2-(2-nitrophenyl)ethylene

Acta Crystallographica Section C

1,993

49

7

1352

1354

10.1107/S0108270192013386

0.71073

MoKα

0.086

0.0657

null

0.1597

0.1399

null

1.194

1.233

null

has coordinates

Todres, Z. V.; Yanovsky, A. I.; Ermekov, D. S.; Struchkov, Yu. T. cis-1-Ferrocenyl-2-(2-nitrophenyl)ethylene Acta Crystallographica Section C 49(7) (1993) 1352-1354

176,759

2020-10-21

18:00:00

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2,001,535

12.353

0.004

6.334

0.001

10.044

0.002

90

null

111.75

0.02

90

null

729.9

0.3

293

null

293

null

5

P 1 21/c 1

-P 2ybc

14

[(2S,4R)-γ-hydroxynorvalinato-(2R,4S)-γ-hydroxynorvalinato]copper(II)

- C10 H20 Cu N2 O6 -

- C20 H40 Cu2 N4 O12 -

2

0.5

KA1023

Deljac, A.; Kaitner, B.; Kirin, S. I.; Meštrović, E.

Structure of [(2S,4R)-γ-hydroxynorvalinato][(2R,4S)-γ-hydroxynorvalinato]copper(II)

Acta Crystallographica Section C

1,993

49

7

1354

1357

10.1107/S0108270193000381

0.7093

MoKα

null

0.032

null

0.046

null

1.208

null

has coordinates

Deljac, A.; Kaitner, B.; Kirin, S. I.; Meštrović, E. Structure of [(2S,4R)-γ-hydroxynorvalinato][(2R,4S)-γ-hydroxynorvalinato]copper(II) Acta Crystallographica Section C 49(7) (1993) 1354-1357

301,791

2025-08-18

23:15:00

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7,205,605

7.629

0.0015

18.696

0.004

13.297

0.003

90

null

114.05

0.03

90

null

1,731.9

0.8

100

2

100

2

null

5

P 1 21/c 1

-P 2ybc

14

work

- C17 H20 Ag Cl N4 -

- C68 H80 Ag4 Cl4 N16 -

4

1

Dobrzańska, Liliana

Anion directed supramolecular architectures of silver(i) complexes with 1,3-bis(imidazol-1-ylmethyl)-2,4,6-trimethylbenzene and a reversible, solvent-induced structural change during a single-crystal-to-single-crystal transformation

CrystEngComm

2,011

13

7

2303

10.1039/c0ce00469c

0.71073

MoKα

0.0651

0.0511

null

0.1155

0.1227

null

1.09

null

has coordinates

Dobrzańska, Liliana Anion directed supramolecular architectures of silver(i) complexes with 1,3-bis(imidazol-1-ylmethyl)-2,4,6-trimethylbenzene and a reversible, solvent-induced structural change during a single-crystal-to-single-crystal transformation CrystEngComm 13(7) (2011) 2303

180,387

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-26 17:19:08 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180387 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/56/7205605.cif $ #-------------------------------------------------------------------...

2,001,536

11.182

0.001

17.816

0.001

12.137

0.001

90

null

97.437

0.001

90

null

2,397.6

0.3

223

null

5

P 1 21/n 1

-P 2yn

14

- C26 H34 Co N2 O4 -

- C104 H136 Co4 N8 O16 -

4

1

SH1013

Hiller, W.; Nishinaga, A.; Tsutsui, T.; Rieker, A.

Structure of [di-tert-butyl(dimethoxy)salen]cobalt(II)

Acta Crystallographica Section C

1,993

49

7

1357

1359

10.1107/S010827019300109X

1.54056

CuKα

null

0.039

null

0.043

null

1.48

null

has coordinates

Hiller, W.; Nishinaga, A.; Tsutsui, T.; Rieker, A. Structure of [di-tert-butyl(dimethoxy)salen]cobalt(II) Acta Crystallographica Section C 49(7) (1993) 1357-1359

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/15/2001536.cif $ #-------------------------------------------------------------------...

2,001,537

9.023

0.003

11.74

0.003

11.861

0.003

107.78

0.02

107.83

0.02

107.74

0.02

1,023.2

0.6

290

null

4

P -1

-P 1

2

- C23 H25 Ga N4 -

- C46 H50 Ga2 N8 -

2

1

HU1029

Alcock, N. W.; Blacker, N. C.; Errington, W.; Wallbridge, M. G. H.

Structure of the monomethylgallium derivative of TMTAA (dibenzotetramethyltetraaza[14]annulene)

Acta Crystallographica Section C

1,993

49

7

1359

1361

10.1107/S0108270193000484

0.71073

MoKα

null

0.053

null

0.06

null

0.84

null

has coordinates

Alcock, N. W.; Blacker, N. C.; Errington, W.; Wallbridge, M. G. H. Structure of the monomethylgallium derivative of TMTAA (dibenzotetramethyltetraaza[14]annulene) Acta Crystallographica Section C 49(7) (1993) 1359-1361

278,247

2022-09-28

15:09:31

#------------------------------------------------------------------------------ #$Date: 2022-09-28 18:08:17 +0300 (Wed, 28 Sep 2022) $ #$Revision: 278247 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/15/2001537.cif $ #-------------------------------------------------------------------...

2,001,538

11.7

0.001

10.878

0.001

12.892

0.001

90

null

90

null

90

null

1,640.8

0.2

293

null

6

P c a b

-P 2bc 2ac

61

- C11 H24 Cl2 Cr N5 S -

- C44 H96 Cl8 Cr4 N20 S4 -

4

0.5

LI1031

Bouckaert, J.; Maes, D.; Lisgarten, J. N.; Chattopadhyay, T. K.; Palmer, R. A.; Mazid, M. A.; Gazi, D. M.

Structures of chromium(III) cyclam complexes. 5. Structure of trans-dichloro(1,4,8,11-tetraazacyclotetradecane)chromium(III) isothiocyanate

Acta Crystallographica Section C

1,993

49

7

1361

1363

10.1107/S010827019300054X

0.71069

MoKα

null

0.036

null

0.036

null

has coordinates,has disorder

Bouckaert, J.; Maes, D.; Lisgarten, J. N.; Chattopadhyay, T. K.; Palmer, R. A.; Mazid, M. A.; Gazi, D. M. Structures of chromium(III) cyclam complexes. 5. Structure of trans-dichloro(1,4,8,11-tetraazacyclotetradecane)chromium(III) isothiocyanate Acta Crystallographica Section C 49(7) (1993) 1361-1363

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/15/2001538.cif $ #-------------------------------------------------------------------...

2,001,539

18.677

0.002

13.817

0.001

20.225

0.003

90

null

101.37

0.01

90

null

5,116.8

1

293

null

293

null

7

P 1 21/c 1

-P 2ybc

14

Dicarbonylbis(μ-3,5-dimethylpyrazolyl)bis(O-4-tolyl-P,P-diphenylphosphinite)diiridium(I) dichloromethane solvate

- C51 H50 Cl2 Ir2 N4 O4 P2 -

- C50.959 H49.918 Cl1.918 Ir2 N4 O4 P2 -

- C203.836 H199.672 Cl7.672 Ir8 N16 O16 P8 -

4

1

ST1021

Faridδag, Ramy S.; Henling, Lawrence M.; Gray, Harry B.

Structure of dicarbonylbis-(μ-3,5-dimethylpyrazolyl)-bis(4-tolyl diphenylphosphinite)diiridium(I)‒dichloromethane (1/1)

Acta Crystallographica, Section C: Crystal Structure Communications

1,993

49

7

1363

1365

10.1107/S010827019201299X

0.71073

MoKα

0.0316

null

0.0025

null

1.46

null

has coordinates

Faridδag, Ramy S.; Henling, Lawrence M.; Gray, Harry B. Structure of dicarbonylbis-(μ-3,5-dimethylpyrazolyl)-bis(4-tolyl diphenylphosphinite)diiridium(I)‒dichloromethane (1/1) Acta Crystallographica, Section C: Crystal Structure Communications 49(7) (1993) 1363-1365

180,655

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-31 10:34:59 +0300 (Thu, 31 Mar 2016) $ #$Revision: 180655 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/15/2001539.cif $ #-------------------------------------------------------------------...

7,205,604

9.054

0.01

10.406

0.011

10.574

0.011

69.008

0.016

77.512

0.017

82.171

0.017

906.2

1.7

100

2

100

2

null

5

P -1

-P 1

2

work

- C19 H23 Ag N4 O2 -

- C38 H46 Ag2 N8 O4 -

2

1

Dobrzańska, Liliana

Anion directed supramolecular architectures of silver(i) complexes with 1,3-bis(imidazol-1-ylmethyl)-2,4,6-trimethylbenzene and a reversible, solvent-induced structural change during a single-crystal-to-single-crystal transformation

CrystEngComm

2,011

13

7

2303

10.1039/c0ce00469c

0.71073

MoKα

0.0738

0.064

null

0.1598

0.1653

null

1.087

null

has coordinates

Dobrzańska, Liliana Anion directed supramolecular architectures of silver(i) complexes with 1,3-bis(imidazol-1-ylmethyl)-2,4,6-trimethylbenzene and a reversible, solvent-induced structural change during a single-crystal-to-single-crystal transformation CrystEngComm 13(7) (2011) 2303

180,387

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-26 17:19:08 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180387 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/56/7205604.cif $ #-------------------------------------------------------------------...

2,001,540

15.106

0.007

13.57

0.005

7.386

0.003

101.55

0.02

94.18

0.02

92.49

0.02

1,476.8

1.1

303

null

303

null

6

P 1

1

(N,N'-o-Phenylenedisalicylideneaminato)iron(III)chloride

- C20 H14 Cl Fe N2 O2 -

- C60 H42 Cl3 Fe3 N6 O6 -

3

SH1030

Elmali, A.; Elerman, Y.; Svoboda, I.; Fuess, H.

Structure of [N,N'-o-phenylenebis(salicylideneaminato)]iron(III) chloride as a five-coordinate monomer

Acta Crystallographica Section C

1,993

49

7

1365

1367

10.1107/S0108270193000617

0.71069

MoKα

null

0.0484

null

0.0466

null

1.03

null

has coordinates

Elmali, A.; Elerman, Y.; Svoboda, I.; Fuess, H. Structure of [N,N'-o-phenylenebis(salicylideneaminato)]iron(III) chloride as a five-coordinate monomer Acta Crystallographica Section C 49(7) (1993) 1365-1367

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/15/2001540.cif $ #-------------------------------------------------------------------...

2,001,541

9.775

0.002

30.857

0.01

9.698

0.002

90

null

90

null

90

null

2,925.2

1.3

128

5

null

3

P 21 21 21

P 2ac 2ab

null

- C21 Co6 O19 -

- C84 Co24 O76 -

4

1

HL1020

Worth, G. H.; Robinson, B. H.; Simpson, J.

Redetermination of the structure of μ~6~-acetonato-1:2:3κ^3^C^1^;4:5:6κ^3^C^3^-bis[nonacarbonyl-1κ^3^C,2κ^3^C,3κ^3^C-triangulo-tricobalt(3 Co‒Co)] at 128 K

Acta Crystallographica Section C

1,993

49

7

1367

1369

10.1107/S0108270193000526

0.71069

Mo

null

0.0316

null

0.047

null

has coordinates

Worth, G. H.; Robinson, B. H.; Simpson, J. Redetermination of the structure of μ~6~-acetonato-1:2:3κ^3^C^1^;4:5:6κ^3^C^3^-bis[nonacarbonyl-1κ^3^C,2κ^3^C,3κ^3^C-triangulo-tricobalt(3 Co‒Co)] at 128 K Acta Crystallographica Section C 49(7) (1993) 1367-1369

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/15/2001541.cif $ #-------------------------------------------------------------------...

2,001,542

6.975

0.002

7.482

0.003

19.122

0.007

90

null

90

null

90

null

997.9

0.6

294

null

6

P 21 21 21

P 2ac 2ab

19

- C5 H11 Cl N3 O3 Pt -

- C20 H44 Cl4 N12 O12 Pt4 -

4

1

DU1027

Viossat, B.; Khodadad, P.; Rodier, N.

Diamminechloro(5-oxoprolinato)platine(II)

Acta Crystallographica Section C

1,993

49

7

1370

1372

10.1107/S0108270193000046

0.7107

MoKᾱ

null

0.027

null

0.037

null

1.48

null

has coordinates

Viossat, B.; Khodadad, P.; Rodier, N. Diamminechloro(5-oxoprolinato)platine(II) Acta Crystallographica Section C 49(7) (1993) 1370-1372

187,340

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-10-14 14:37:28 +0300 (Fri, 14 Oct 2016) $ #$Revision: 187340 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/15/2001542.cif $ #-------------------------------------------------------------------...

2,001,543

12.151

0.002

12.151

0.002

6.545

0.001

90

null

90

null

90

null

966.3

0.3

293

1

293

1

null

3

P -4 21 c

P -4 2n

114

Tetraphenyllead

- C24 H20 Pb -

- C48 H40 Pb2 -

2

0.25

AL1039

Preut, H.; Huber, F.

Redetermination of tetraphenyllead

Acta Crystallographica Section C

1,993

49

7

1372

1373

10.1107/S0108270193001878

0.71073

MoKα

0.0347

0.0301

null

0.0505

0.0412

null

1.32

null

has coordinates

Preut, H.; Huber, F. Redetermination of tetraphenyllead Acta Crystallographica Section C 49(7) (1993) 1372-1373

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/15/2001543.cif $ #-------------------------------------------------------------------...

2,001,544

7.9122

0.0008

13.788

0.002

19.15

0.004

90

null

90

null

90

null

2,089.1

0.6

293

null

3

P 21 21 21

P 2ac 2ab

null

- C21 H32 O6 -

- C84 H128 O24 -

4

1

NA1024

Puliti, R.; Fontana, A.; Cimino, G.; Mattia, C. A.; Mazzarella, L.

Structure of a keto derivative of 9,11-dihydrogracilin A

Acta Crystallographica Section C

1,993

49

7

1373

1376

10.1107/S0108270193001003

1.54056

CuKα

null

0.05

null

0.049

null

0.22

null

has coordinates

Puliti, R.; Fontana, A.; Cimino, G.; Mattia, C. A.; Mazzarella, L. Structure of a keto derivative of 9,11-dihydrogracilin A Acta Crystallographica Section C 49(7) (1993) 1373-1376

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/15/2001544.cif $ #-------------------------------------------------------------------...

7,205,603

8.5514

0.0007

9.6731

0.0008

11.5283

0.0009

94.175

0.001

93.696

0.001

107.143

0.001

905.12

0.13

100

2

100

2

null

5

P -1

-P 1

2

work

- C34 H40 Ag2 N10 O6 -

1

0.5

Dobrzańska, Liliana

Anion directed supramolecular architectures of silver(i) complexes with 1,3-bis(imidazol-1-ylmethyl)-2,4,6-trimethylbenzene and a reversible, solvent-induced structural change during a single-crystal-to-single-crystal transformation

CrystEngComm

2,011

13

7

2303

10.1039/c0ce00469c

0.71073

MoKα

0.0642

0.0611

null

0.1576

0.1608

null

1.077

null

has coordinates,has disorder

Dobrzańska, Liliana Anion directed supramolecular architectures of silver(i) complexes with 1,3-bis(imidazol-1-ylmethyl)-2,4,6-trimethylbenzene and a reversible, solvent-induced structural change during a single-crystal-to-single-crystal transformation CrystEngComm 13(7) (2011) 2303

180,387

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-26 17:19:08 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180387 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/56/7205603.cif $ #-------------------------------------------------------------------...

2,001,545

7.0711

0.0004

15.09

0.001

11.1925

0.0006

90

null

106.916

0.004

90

null

1,142.6

0.12

100

null

100

null

4

P 1 21 1

P 2yb

4

(3,5-dinitrobenzoic acid)(benzo-15-crown-5)monohydrate

- C21 H26 N2 O12 -

- C42 H52 N4 O24 -

2

1

HA1021

Schouten, A.; Kanters, J. A.; Poonia, N. S.

Structure of the benzo-15-crown-5–3,5-dinitrobenzoic acid–water (1/1/1) complex

Acta Crystallographica Section C

1,993

49

7

1376

1378

10.1107/S010827019201357X

0.71073

MoKα

null

0.0332

null

0.0297

null

1.49

null

has coordinates

Schouten, A.; Kanters, J. A.; Poonia, N. S. Structure of the benzo-15-crown-5–3,5-dinitrobenzoic acid–water (1/1/1) complex Acta Crystallographica Section C 49(7) (1993) 1376-1378

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/15/2001545.cif $ #-------------------------------------------------------------------...

2,001,546

12.462

0.003

8.035

0.003

13.539

0.004

90

null

112.89

0.03

90

null

1,248.9

0.7

291

null

3

P 1 21 1

P 2yb

4

- C13 H18 O2 -

- C52 H72 O8 -

4

2

AL1030

Freer, A. A.; Bunyan, J. M.; Shankland, N.; Sheen, D. B.

Structure of (S)-(+)-ibuprofen

Acta Crystallographica Section C

1,993

49

7

1378

1380

10.1107/S0108270193000629

0.71069

MoKα

null

0.056

null

0.067

null

3.09

null

has coordinates

Freer, A. A.; Bunyan, J. M.; Shankland, N.; Sheen, D. B. Structure of (S)-(+)-ibuprofen Acta Crystallographica Section C 49(7) (1993) 1378-1380

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/15/2001546.cif $ #-------------------------------------------------------------------...

2,001,547

11.915

0.001

19.228

0.003

8.05

0.001

90

null

99.1

0.01

90

null

1,821.1

0.4

293

2

293

2

null

3

P 1 21/c 1

-P 2ybc

14

4b,6a-bis(acetyloxy)-4b,6a,10b,10c-tetrahydrobenzo[3,4]-cyclo-buta[1,2a] biphenylene

- C22 H18 O4 -

- C88 H72 O16 -

4

1

HA1033

Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Mouaddib, A.; Caubère, P.

Synthesis and structure of new families of potential antitumor or antiviral agents. I. 4b,6a,10b,10c-Tetrahydrobenzo[3,4]cyclobuta[1,2-a]biphenylene-4b,6a-diyl diacetate

Acta Crystallographica Section C

1,993

49

7

1380

1384

10.1107/S0108270193000265

1.54178

X-rayCu-Kαmean

0.0506

0.0459

null

0.1413

0.1266

null

1.058

1.101

null

has coordinates

Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Mouaddib, A.; Caubère, P. Synthesis and structure of new families of potential antitumor or antiviral agents. I. 4b,6a,10b,10c-Tetrahydrobenzo[3,4]cyclobuta[1,2-a]biphenylene-4b,6a-diyl diacetate Acta Crystallographica Section C 49(7) (1993) 1380-1384

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/15/2001547.cif $ #-------------------------------------------------------------------...

2,001,548

14.434

0.006

9.637

0.002

14.398

0.007

90

null

96.34

0.02

90

null

1,990.5

1.3

293

2

293

2

null

4

C 1 c 1

C -2yc

9

1-(p-Toluenesulfonyl)-3,4:7,8-dibenzotricyclo[3.3.2.0^2,6^]decane

- C25 H22 O3 S -

- C100 H88 O12 S4 -

4

1

AL1032

Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Zouaoui, A.; Caubère, P.

Synthesis and structure of new families of potential antitumor or antiviral agents. II. 1-(p-Toluenesulfonyloxy)-3,4:7,8-dibenzotricyclo[3.3.2.0^2,6^]decane

Acta Crystallographica Section C

1,993

49

7

1384

1388

10.1107/S0108270192012782

1.54178

CuKᾱ

0.1048

0.0655

null

0.1849

0.1394

null

0.864

1.098

null

has coordinates

Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Zouaoui, A.; Caubère, P. Synthesis and structure of new families of potential antitumor or antiviral agents. II. 1-(p-Toluenesulfonyloxy)-3,4:7,8-dibenzotricyclo[3.3.2.0^2,6^]decane Acta Crystallographica Section C 49(7) (1993) 1384-1388

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/15/2001548.cif $ #-------------------------------------------------------------------...

7,205,602

8.8539

0.0014

9.3957

0.0015

12.052

0.0019

92.737

0.002

102.777

0.002

102.993

0.002

947.7

0.3

100

2

100

2

null

6

P -1

-P 1

2

work

- C34 H40 Ag2 F12 N8 P2 -

1

0.5

Dobrzańska, Liliana

Anion directed supramolecular architectures of silver(i) complexes with 1,3-bis(imidazol-1-ylmethyl)-2,4,6-trimethylbenzene and a reversible, solvent-induced structural change during a single-crystal-to-single-crystal transformation

CrystEngComm

2,011

13

7

2303

10.1039/c0ce00469c

0.71073

MoKα

0.0637

0.055

null

0.1371

0.1424

null

1.156

null

has coordinates

Dobrzańska, Liliana Anion directed supramolecular architectures of silver(i) complexes with 1,3-bis(imidazol-1-ylmethyl)-2,4,6-trimethylbenzene and a reversible, solvent-induced structural change during a single-crystal-to-single-crystal transformation CrystEngComm 13(7) (2011) 2303

301,863

2025-08-22

13:07:26

#------------------------------------------------------------------------------ #$Date: 2025-08-22 15:50:14 +0300 (Fri, 22 Aug 2025) $ #$Revision: 301863 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/56/7205602.cif $ #-------------------------------------------------------------------...

2,001,549

8.573

0.001

10.628

0.001

6.544

0.001

90

null

105.55

0.01

90

null

574.42

0.13

293

2

293

2

null

3

P 1 21 1

P 2yb

4

Cis,anti,cis-8-methoxytricyclo[6.3.0.0^2,7^]undecan-2,3-diol

- C12 H20 O3 -

- C24 H40 O6 -

2

1

HA1032

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

Synthesis and structure of strained polycyclic cyclobutane-containing derivatives

Acta Crystallographica Section C

1,993

49

7

1388

1392

10.1107/S0108270193000319

1.54056

CuKα~1~

0.0667

0.0486

null

0.1384

0.1219

null

0.944

1.049

null

has coordinates

Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Brosse, N.; Caubère, P. Synthesis and structure of strained polycyclic cyclobutane-containing derivatives Acta Crystallographica Section C 49(7) (1993) 1388-1392

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/15/2001549.cif $ #-------------------------------------------------------------------...

2,001,550

8.394

0.001

14.26

0.002

12.007

0.001

90

null

91.79

0.01

90

null

1,436.5

0.3

293

2

273

2

null

3

P 1 21/c 1

-P 2ybc

14

13-spiro-2'-[1,3]dioxolanetricyclo[6.5.0.0^2,7^]tridec-6-ene

- C16 H24 O3 -

- C64 H96 O12 -

4

1

HA1032

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

Synthesis and structure of strained polycyclic cyclobutane-containing derivatives

Acta Crystallographica Section C

1,993

49

7

1388

1392

10.1107/S0108270193000319

1.54056

CuKα~1~

0.1092

0.0603

null

0.2305

0.1635

null

0.883

1.064

null

has coordinates

Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Brosse, N.; Caubère, P. Synthesis and structure of strained polycyclic cyclobutane-containing derivatives Acta Crystallographica Section C 49(7) (1993) 1388-1392

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/15/2001550.cif $ #-------------------------------------------------------------------...

2,001,551

15.738

0.007

4.854

0.002

9.944

0.005

90

null

96.58

0.02

90

null

754.6

0.6

297

null

5

P 1 21/c 1

-P 2ybc

null

- C8 H8 F N O2 -

- C32 H32 F4 N4 O8 -

4

1

HH1019

Burns, J. H.; Hagaman, E. W.

Three monofluorinated small molecules: ortho-fluorophenylglycine, methyl 4-(fluorocarbonyl)benzoate and 16α-fluoro-α-estradiol 3-methyl ether

Acta Crystallographica Section C

1,993

49

7

1393

1396

10.1107/S0108270193000605

0.71069

MoKα

null

0.061

null

0.071

null

1.95

null

has coordinates

Burns, J. H.; Hagaman, E. W. Three monofluorinated small molecules: ortho-fluorophenylglycine, methyl 4-(fluorocarbonyl)benzoate and 16α-fluoro-α-estradiol 3-methyl ether Acta Crystallographica Section C 49(7) (1993) 1393-1396

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/15/2001551.cif $ #-------------------------------------------------------------------...

2,001,552

7.394

0.004

17.363

0.004

7.288

0.003

90

null

116.51

0.02

90

null

837.3

0.6

297

null

4

P 1 21/c 1

-P 2ybc

null

- C9 H7 F O3 -

- C36 H28 F4 O12 -

4

1

HH1019

Burns, J. H.; Hagaman, E. W.

Three monofluorinated small molecules: ortho-fluorophenylglycine, methyl 4-(fluorocarbonyl)benzoate and 16α-fluoro-α-estradiol 3-methyl ether

Acta Crystallographica Section C

1,993

49

7

1393

1396

10.1107/S0108270193000605

0.71069

MoKα

null

0.05

null

0.05

null

1.35

null

has coordinates

Burns, J. H.; Hagaman, E. W. Three monofluorinated small molecules: ortho-fluorophenylglycine, methyl 4-(fluorocarbonyl)benzoate and 16α-fluoro-α-estradiol 3-methyl ether Acta Crystallographica Section C 49(7) (1993) 1393-1396

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/15/2001552.cif $ #-------------------------------------------------------------------...

7,205,601

8.697

0.0005

9.7684

0.0006

13.5891

0.0008

98.38

0.001

101.463

0.001

103.397

0.001

1,078.16

0.11

100

2

100

2

null

6

P -1

-P 1

2

work

- C38 H46 Ag2 F12 N10 P2 -

1

0.5

Dobrzańska, Liliana

Anion directed supramolecular architectures of silver(i) complexes with 1,3-bis(imidazol-1-ylmethyl)-2,4,6-trimethylbenzene and a reversible, solvent-induced structural change during a single-crystal-to-single-crystal transformation

CrystEngComm

2,011

13

7

2303

10.1039/c0ce00469c

0.71073

MoKα

0.0291

0.0275

null

0.0692

0.0701

null

1.066

null

has coordinates

Dobrzańska, Liliana Anion directed supramolecular architectures of silver(i) complexes with 1,3-bis(imidazol-1-ylmethyl)-2,4,6-trimethylbenzene and a reversible, solvent-induced structural change during a single-crystal-to-single-crystal transformation CrystEngComm 13(7) (2011) 2303

301,863

2025-08-22

13:07:26

#------------------------------------------------------------------------------ #$Date: 2025-08-22 15:50:14 +0300 (Fri, 22 Aug 2025) $ #$Revision: 301863 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/56/7205601.cif $ #-------------------------------------------------------------------...

2,001,553

6.057

0.002

8.968

0.002

29.354

0.005

90

null

90

null

90

null

1,594.5

0.7

300

null

4

P 21 21 21

P 2ac 2ab

null

- C19 H25 F O2 -

- C76 H100 F4 O8 -

4

1

HH1019

Burns, J. H.; Hagaman, E. W.

Three monofluorinated small molecules: ortho-fluorophenylglycine, methyl 4-(fluorocarbonyl)benzoate and 16α-fluoro-α-estradiol 3-methyl ether

Acta Crystallographica Section C

1,993

49

7

1393

1396

10.1107/S0108270193000605

0.71069

MoKα

null

0.033

null

0.043

null

1.36

null

has coordinates

Burns, J. H.; Hagaman, E. W. Three monofluorinated small molecules: ortho-fluorophenylglycine, methyl 4-(fluorocarbonyl)benzoate and 16α-fluoro-α-estradiol 3-methyl ether Acta Crystallographica Section C 49(7) (1993) 1393-1396

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/15/2001553.cif $ #-------------------------------------------------------------------...

2,001,554

12.248

0.002

8.637

0.001

10.934

0.003

90

null

92.25

0.01

90

null

1,155.8

0.4

298

null

4

P 1 2/a 1

-P 2yab

null

- C14 H13 N O2 -

- C14 H12 N O2 -

- C56 H48 N4 O8 -

4

1

HH1028

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

Structure of 4-[(3-methoxyphenylimino)methyl]phenol

Acta Crystallographica Section C

1,993

49

7

1396

1398

10.1107/S0108270193000654

0.71069

MoKα

null

0.0526

null

0.0566

null

1.32

null

has coordinates

Yeap, G.-Y.; Teo, S.-B.; Fun, H.-K.; Teoh, S.-G. Structure of 4-[(3-methoxyphenylimino)methyl]phenol Acta Crystallographica Section C 49(7) (1993) 1396-1398

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/15/2001554.cif $ #-------------------------------------------------------------------...

2,001,555

17.099

0.005

10.091

0.003

11.386

0.004

90

null

92.09

0.03

90

null

1,963.3

1.1

294

null

5

A 1 2/a 1

-A 2ya

null

- C20 H20 I2 N2 O -

- C80 H80 I8 N8 O4 -

4

0.5

AS1030

Mori, Y.; Matsuyama, Y.; Suzuki, J.; Ishii, Y.; Yamada, S.; Maeda, K.

Structure of diiodide salts of N-heteroaromatic dications

Acta Crystallographica Section C

1,993

49

7

1398

1401

10.1107/S0108270193000393

0.71068

MoKα

null

0.035

null

0.039

null

1.428

null

has coordinates

Mori, Y.; Matsuyama, Y.; Suzuki, J.; Ishii, Y.; Yamada, S.; Maeda, K. Structure of diiodide salts of N-heteroaromatic dications Acta Crystallographica Section C 49(7) (1993) 1398-1401

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/15/2001555.cif $ #-------------------------------------------------------------------...

2,001,556

21.867

0.005

6.119

0.001

14.47

0.004

90

null

90.52

0.03

90

null

1,936.1

0.8

294

null

4

A 1 2/a 1

-A 2ya

null

- C20 H18 I2 N2 -

- C80 H72 I8 N8 -

4

0.5

AS1030

Mori, Y.; Matsuyama, Y.; Suzuki, J.; Ishii, Y.; Yamada, S.; Maeda, K.

Structure of diiodide salts of N-heteroaromatic dications

Acta Crystallographica Section C

1,993

49

7

1398

1401

10.1107/S0108270193000393

0.71068

MoKα

null

0.039

null

0.04

null

1.401

null

has coordinates

Mori, Y.; Matsuyama, Y.; Suzuki, J.; Ishii, Y.; Yamada, S.; Maeda, K. Structure of diiodide salts of N-heteroaromatic dications Acta Crystallographica Section C 49(7) (1993) 1398-1401

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/15/2001556.cif $ #-------------------------------------------------------------------...

2,001,557

12.9862

0.0005

6.4062

0.0005

14.0857

0.0012

90

null

116.275

0.006

90

null

1,050.75

0.14

298

null

4

P 1 21/c 1

-P 2ybc

null

- C11 H9 N O4 -

- C44 H36 N4 O16 -

4

1

HH1038

Garcia, J. G.; Enas, J. D.; Chang, E.; Fronczek, F. R.

Structure of 2-ethyl-2-nitroindan-1,3-dione

Acta Crystallographica Section C

1,993

49

7

1401

1402

10.1107/S0108270193000976

1.54184

CuKα

null

0.041

null

0.054

null

2.565

null

has coordinates

Garcia, J. G.; Enas, J. D.; Chang, E.; Fronczek, F. R. Structure of 2-ethyl-2-nitroindan-1,3-dione Acta Crystallographica Section C 49(7) (1993) 1401-1402

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/15/2001557.cif $ #-------------------------------------------------------------------...

7,205,600

8.6798

0.0007

9.9988

0.0008

13.7746

0.001

99.506

0.001

101.962

0.001

101.479

0.001

1,119.24

0.15

100

2

100

2

null

6

P -1

-P 1

2

work

- C38 H46 Ag2 F12 N10 Sb2 -

1

0.5

Dobrzańska, Liliana

Anion directed supramolecular architectures of silver(i) complexes with 1,3-bis(imidazol-1-ylmethyl)-2,4,6-trimethylbenzene and a reversible, solvent-induced structural change during a single-crystal-to-single-crystal transformation

CrystEngComm

2,011

13

7

2303

10.1039/c0ce00469c

0.71073

MoKα

0.028

0.027

null

0.064

0.0645

null

1.165

null

has coordinates

Dobrzańska, Liliana Anion directed supramolecular architectures of silver(i) complexes with 1,3-bis(imidazol-1-ylmethyl)-2,4,6-trimethylbenzene and a reversible, solvent-induced structural change during a single-crystal-to-single-crystal transformation CrystEngComm 13(7) (2011) 2303

180,387

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-26 17:19:08 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180387 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/56/7205600.cif $ #-------------------------------------------------------------------...

2,001,558

9.609

0.002

5.087

0.001

15.923

0.002

90

null

91.74

0.01

90

null

778

0.2

296

null

4

P 1 21/a 1

-P 2yab

14

- C7 H9 N3 O -

- C28 H36 N12 O4 -

4

1

OH1004

Okabe, N.

Structure of 1-phenylsemicarbazide

Acta Crystallographica Section C

1,993

49

7

1402

1404

10.1107/S0108270193000198

0.71069

MoKα

null

0.034

null

0.06

null

1.96

null

has coordinates

Okabe, N. Structure of 1-phenylsemicarbazide Acta Crystallographica Section C 49(7) (1993) 1402-1404

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/15/2001558.cif $ #-------------------------------------------------------------------...

2,001,559

10.701

0.005

8.999

0.004

14.97

0.007

90

null

110.56

0.04

90

null

1,349.8

1.1

293

null

3

P 1 21/n 1

-P 2yn

14

- C13 H20 O4 -

- C52 H80 O16 -

4

1

HA1030

Soriano-García, M.; Iribe, R. V.; Silva, A. L.; Maldonado, L. A.

Structure of 1,4-diethyl-3,5-dimethoxy-1,4-dihydrobenzoic acid

Acta Crystallographica Section C

1,993

49

7

1404

1406

10.1107/S0108270193000241

1.5418

CuKα

null

0.065

null

0.095

null

1.32

null

has coordinates

Soriano-García, M.; Iribe, R. V.; Silva, A. L.; Maldonado, L. A. Structure of 1,4-diethyl-3,5-dimethoxy-1,4-dihydrobenzoic acid Acta Crystallographica Section C 49(7) (1993) 1404-1406

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/15/2001559.cif $ #-------------------------------------------------------------------...

2,001,560

6.363

0.001

13.536

0.002

25.703

0.004

90

null

91.74

0.03

90

null

2,212.8

0.6

293

null

293

null

4

P 1 21/c 1

-P 2ybc

14

(±)-p-nitrobenzyl 2-(2,2-dimethyl-1-phenylpropylamino)-1-cyclopentene-1-carboxylate

- C24 H28 N2 O4 -

- C96 H112 N8 O16 -

4

1

PA1038

Chiaroni, A.; Riche, C.; Guingant, A.; d'Angelo, J.

The asymmetric Michael process involving chiral imines: structure of (±)-p-nitrobenzyl 2-(2,2-dimethyl-1-phenylpropylamino)-1-cyclopentene-1-carboxylate

Acta Crystallographica Section C

1,993

49

7

1406

1409

10.1107/S0108270193000320

1.5418

CuKα

null

0.072

null

0.113

null

1.44

null

has coordinates

Chiaroni, A.; Riche, C.; Guingant, A.; d'Angelo, J. The asymmetric Michael process involving chiral imines: structure of (±)-p-nitrobenzyl 2-(2,2-dimethyl-1-phenylpropylamino)-1-cyclopentene-1-carboxylate Acta Crystallographica Section C 49(7) (1993) 1406-1409

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/15/2001560.cif $ #-------------------------------------------------------------------...