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

2,004,023

27.511

0.005

6.666

0.003

17.351

0.003

90

null

115.3

0.03

90

null

2,876.8

1.6

296

null

296

null

synthesized at UMIST

4

C 1 2/c 1

-C 2yc

15

Ethyl-6,7-bis(trifluoromethyl)isocumarin-3-carboxylate

- C14 H8 F6 O4 -

- C112 H64 F48 O32 -

8

1

LI1134

Abubakar, A. B.; Pritchard, R. G.; Suliman, N. N. E.; Tipping, A. E.

Ethyl 6,7-Bis(trifluoromethyl)isocoumarin-3-carboxylate: Formed by a Novel Diels–Alder Cycloaddition Involving Two Different α,β-Unsaturated Esters

Acta Crystallographica Section C

1,995

51

10

2100

2102

10.1107/S0108270195004781

0.71069

MoKα

null

0.068

null

0.042

null

1.93

null

has coordinates

Abubakar, A. B.; Pritchard, R. G.; Suliman, N. N. E.; Tipping, A. E. Ethyl 6,7-Bis(trifluoromethyl)isocoumarin-3-carboxylate: Formed by a Novel Diels–Alder Cycloaddition Involving Two Different α,β-Unsaturated Esters Acta Crystallographica Section C 51(10) (1995) 2100-2102

301,791

2025-08-18

23:15:25

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4,322,327

9.337

0.002

11.578

0.002

13.498

0.003

100.36

0.03

94.52

0.03

95.38

0.03

1,422.2

0.5

293

2

293

2

null

8

P -1

-P 1

2

- C16 H48 F12 O8 Re6 S8 Sb2 Se8 -

1

0.5

Zhiping Zheng; Thomas G. Gray; R. H. Holm

Synthesis and Structures of Solvated Monoclusters and Bridged Di- and Triclusters Based on the cubic Building Block [Re6(μ3-Se)8]2+

Inorganic Chemistry

1,999

38

4888

4895

10.1021/ic9906050

0.71073

MoKα

0.0847

0.049

null

0.1287

0.1175

null

0.879

1.053

null

has coordinates

Zhiping Zheng; Thomas G. Gray; R. H. Holm Synthesis and Structures of Solvated Monoclusters and Bridged Di- and Triclusters Based on the cubic Building Block [Re6(μ3-Se)8]2+ Inorganic Chemistry 38 (1999) 4888-4895

179,326

2020-10-21

18:00:00

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2,004,024

9.426

0.002

17.744

0.004

12.137

0.002

90

null

102.04

0.03

90

null

1,985.3

0.7

293

2

293

2

null

5

P 1 21/c 1

-P 2ybc

14

bromodichloromethylphenylmercury

- C7 H5 Br Cl2 Hg -

- C7 H5 Br1.002 Cl1.998 Hg -

- C56 H40 Br8.016 Cl15.984 Hg8 -

8

2

MD1001

Bachman, R. E.; Maughon, B. R.; McCord, D. J.; Whitmire, K. H.; Billups, W. E.

(Bromodichloromethyl)phenylmercury

Acta Crystallographica Section C

1,995

51

10

2033

2035

10.1107/S0108270195004501

0.71073

MoKα

0.1367

0.0467

null

0.0957

0.0738

null

1.037

1.099

null

has coordinates

Bachman, R. E.; Maughon, B. R.; McCord, D. J.; Whitmire, K. H.; Billups, W. E. (Bromodichloromethyl)phenylmercury Acta Crystallographica Section C 51(10) (1995) 2033-2035

176,759

2020-10-21

18:00:00

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2,004,025

8.127

0.005

9.952

0.002

9.992

0.003

72.17

0.02

76.76

0.03

68.31

0.03

708.7

0.5

293

null

recrystallized from chloroform

5

P -1

-P 1

2

- C14 H12 I N Te -

- C28 H24 I2 N2 Te2 -

2

1

MU1134

Hamor, T. A.; Maslakov, A. G.; McWhinnie, W. R.

1-Iodo-2-p-tolyl-1-tellura-2-azaindene

Acta Crystallographica Section C

1,995

51

10

2062

2064

10.1107/S0108270194010802

0.71069

MoKα

null

0.0278

null

0.0382

null

0.67

null

has coordinates

Hamor, T. A.; Maslakov, A. G.; McWhinnie, W. R. 1-Iodo-2-p-tolyl-1-tellura-2-azaindene Acta Crystallographica Section C 51(10) (1995) 2062-2064

176,435

2020-10-21

18:00:00

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2,004,026

15.967

0.001

15.967

0.001

15.348

0.004

90

null

90

null

90

null

3,912.9

1.1

296

null

296

null

7

I 41/a :2

-I 4ad

88

poly[bis-{μ~2~-(bromo)-copper(I)}-bis-μ~3~-(N,N-diethyldithiocarbamato- S,S,S',S')platinum(II)]

- C10 H20 Br2 Cu2 N2 Pt S4 -

- C10 Br2 Cu2 N2 Pt0.5 S4 -

- C80 Br16 Cu16 N16 Pt4 S32 -

8

0.5

MU1152

Tokoro, K.; Ebihara, M.; Kawamura, T.

(CuX)~n~ Helical Chains in [Pt(S~2~CNEt~2~)~2~Cu~2~X~2~] (X = Br, Cl)

Acta Crystallographica Section C

1,995

51

10

2010

2013

10.1107/S0108270195001855

0.7107

MolybdenumKα

null

0.045

null

0.041

null

1.56

null

has coordinates

Tokoro, K.; Ebihara, M.; Kawamura, T. (CuX)~n~ Helical Chains in [Pt(S~2~CNEt~2~)~2~Cu~2~X~2~] (X = Br, Cl) Acta Crystallographica Section C 51(10) (1995) 2010-2013

176,759

2020-10-21

18:00:00

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2,004,027

15.835

0.002

15.835

0.002

15.037

0.003

90

null

90

null

90

null

3,770.5

1

296

null

296

null

7

I 41/a :2

-I 4ad

88

poly[bis-{μ~2~-(chloro)-copper(I)}-bis-μ~3~-(N,N-diethyldithiocarbamato- S,S,S',S')-platinum(II)]

- C10 H20 Cl2 Cu2 N2 Pt S4 -

- C10 Cl2 Cu2 N2 Pt0.5 S4 -

- C80 Cl16 Cu16 N16 Pt4 S32 -

8

0.5

MU1152

Tokoro, K.; Ebihara, M.; Kawamura, T.

(CuX)~n~ Helical Chains in [Pt(S~2~CNEt~2~)~2~Cu~2~X~2~] (X = Br, Cl)

Acta Crystallographica Section C

1,995

51

10

2010

2013

10.1107/S0108270195001855

0.7107

MolybdenumKα

null

0.038

null

0.037

null

1.73

null

has coordinates

Tokoro, K.; Ebihara, M.; Kawamura, T. (CuX)~n~ Helical Chains in [Pt(S~2~CNEt~2~)~2~Cu~2~X~2~] (X = Br, Cl) Acta Crystallographica Section C 51(10) (1995) 2010-2013

176,759

2020-10-21

18:00:00

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2,004,028

17.55

0.012

11.75

0.008

18.531

0.009

90

null

91.52

0.04

90

null

3,820

4

150

0.2

150

0.2

null

4

P 1 21/n 1

-P 2yn

14

1,4,7,10,13-pentaoxa-16,19-dithiacyclohenicosane sesquihydrate

- C14 H31 O6.5 S2 -

- C112 H248 O52 S16 -

8

2

MU1168

Blake, A. J.; Gould, R. O.; Harris, S. G.; Parsons, S.; Radek, C.; Schröder, M.

1,4,7,10,13-Pentaoxa-16,19-dithiacyclohenicosane Sesquihydrate at 150 K

Acta Crystallographica Section C

1,995

51

10

2186

2189

10.1107/S0108270195005142

0.71073

Mo-Kα

0.1352

0.0714

null

0.2805

0.1766

null

1.097

1.172

null

has coordinates,has disorder

Blake, A. J.; Gould, R. O.; Harris, S. G.; Parsons, S.; Radek, C.; Schröder, M. 1,4,7,10,13-Pentaoxa-16,19-dithiacyclohenicosane Sesquihydrate at 150 K Acta Crystallographica Section C 51(10) (1995) 2186-2189

301,791

2025-08-18

23:15:25

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2,004,029

10.859

0.002

18.443

0.003

15.299

0.005

90

null

92.66

0.02

90

null

3,060.7

1.3

293

2

293

2

null

see below

6

P 1 21/n 1

-P 2yn

14

Tris(diethyldithiocarbamato)-4-methoxyphenyltellurium(IV)

- C22 H37 N3 O S6 Te -

- C88 H148 N12 O4 S24 Te4 -

4

1

MU1172

Husebye, S.; Lindeman, S. V.

Tris(diethyldithiocarbamato)(4-methoxyphenyl)tellurium(IV), p-MeOC~6~H~4~Te(S~2~CNEt~2~)~3~, and the Triclinic Modification of Tris(diethyldithiocarbamato)phenyltellurium(IV), PhTe(S~2~CNEt~2~)~3~

Acta Crystallographica Section C

1,995

51

10

2152

2157

10.1107/S0108270195005154

0.71069

MoKα

0.1063

0.0328

null

0.1631

0.0849

null

1.093

1.07

null

has coordinates

Husebye, S.; Lindeman, S. V. Tris(diethyldithiocarbamato)(4-methoxyphenyl)tellurium(IV), p-MeOC~6~H~4~Te(S~2~CNEt~2~)~3~, and the Triclinic Modification of Tris(diethyldithiocarbamato)phenyltellurium(IV), PhTe(S~2~CNEt~2~)~3~ Acta Crystallographica Section C 51(10) (1995) 2152-2157

176,435

2020-10-21

18:00:00

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2,004,030

11.1827

0.0007

16.0827

0.0015

17.383

0.0013

108.3

0.007

100.623

0.006

96.12

0.006

2,871.6

0.4

293

2

293

2

null

see below

5

P -1

-P 1

2

Tris(diethyldithiocarbamato)phenyltellurium(IV)

- C21 H35 N3 S6 Te -

- C84 H140 N12 S24 Te4 -

4

2

MU1172

Husebye, S.; Lindeman, S. V.

Tris(diethyldithiocarbamato)(4-methoxyphenyl)tellurium(IV), p-MeOC~6~H~4~Te(S~2~CNEt~2~)~3~, and the Triclinic Modification of Tris(diethyldithiocarbamato)phenyltellurium(IV), PhTe(S~2~CNEt~2~)~3~

Acta Crystallographica Section C

1,995

51

10

2152

2157

10.1107/S0108270195005154

0.71069

MoKα

0.0814

0.0327

null

0.1085

0.0797

null

1.066

1.118

null

has coordinates,has disorder

Husebye, S.; Lindeman, S. V. Tris(diethyldithiocarbamato)(4-methoxyphenyl)tellurium(IV), p-MeOC~6~H~4~Te(S~2~CNEt~2~)~3~, and the Triclinic Modification of Tris(diethyldithiocarbamato)phenyltellurium(IV), PhTe(S~2~CNEt~2~)~3~ Acta Crystallographica Section C 51(10) (1995) 2152-2157

176,759

2020-10-21

18:00:00

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4,322,326

12.55

0.002

12.55

0.002

27.039

0.005

90

null

90

null

120

null

3,688.2

1.1

293

2

293

2

null

8

R -3 :H

-R 3

148

- C18 H42 F12 N6 O6 Re6 Sb2 Se8 -

- C54 H126 F36 N18 O18 Re18 Sb6 Se24 -

3

0.166667

Zhiping Zheng; Thomas G. Gray; R. H. Holm

Synthesis and Structures of Solvated Monoclusters and Bridged Di- and Triclusters Based on the cubic Building Block [Re6(μ3-Se)8]2+

Inorganic Chemistry

1,999

38

4888

4895

10.1021/ic9906050

0.71073

MoKα

0.0721

0.0337

null

0.1009

0.0818

null

0.569

0.618

null

has coordinates

Zhiping Zheng; Thomas G. Gray; R. H. Holm Synthesis and Structures of Solvated Monoclusters and Bridged Di- and Triclusters Based on the cubic Building Block [Re6(μ3-Se)8]2+ Inorganic Chemistry 38 (1999) 4888-4895

179,326

2020-10-21

18:00:00

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2,004,031

17.067

0.007

8.425

0.003

9.597

0.004

90

null

90

null

90

null

1,379.9

0.9

293

2

293

2

null

3

P 21 21 2

P 2 2ab

18

(3S,4R,7S,8R,9R)-4-methyl-7-(2-propyl)-4,5,6,7,8,9-hexahydro-2-oxo- 3-benzofuranoic acid

- C13 H20 O4 -

- C52 H80 O16 -

4

1

MU1174

Adovasio, V.; Nardelli, M.; Chelucci, G.; Saba, A.

Configuration and Conformation of (3S,3aR,4R,7S,7aS)-4-Methyl-7-(2-propyl)-2-oxo-2,3,3a,4,5,6,7,7a-octahydro-3-benzofurancarboxylic Acid

Acta Crystallographica Section C

1,995

51

10

2166

2169

10.1107/S0108270195005361

1.54178

Cu-Kα

0.0977

0.038

null

0.1298

0.0891

null

0.817

1.1

null

has coordinates

Adovasio, V.; Nardelli, M.; Chelucci, G.; Saba, A. Configuration and Conformation of (3S,3aR,4R,7S,7aS)-4-Methyl-7-(2-propyl)-2-oxo-2,3,3a,4,5,6,7,7a-octahydro-3-benzofurancarboxylic Acid Acta Crystallographica Section C 51(10) (1995) 2166-2169

301,791

2025-08-18

23:15:25

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2,004,032

6.922

0.001

12.297

0.001

6.922

0.001

90

null

113.85

0.01

90

null

538.89

0.13

293

null

293

null

5

P 1 21/a 1

-P 2yab

14

- C6 H8 Cu N6 O8 -

- C12 H16 Cu2 N12 O16 -

2

0.5

MU1175

Simonsen, O.; la Cour, A.

A Copper‒Nitromalonamide Complex

Acta Crystallographica Section C

1,995

51

10

2006

2008

10.1107/S0108270195005270

0.71073

MoKα

0.031

0.027

null

0.027

null

7.287

7.678

null

has coordinates

Simonsen, O.; la Cour, A. A Copper‒Nitromalonamide Complex Acta Crystallographica Section C 51(10) (1995) 2006-2008

176,435

2020-10-21

18:00:00

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2,004,033

11.103

0.004

13.223

0.007

17.079

0.006

90

null

95.29

0.04

90

null

2,496.8

1.8

296

null

see text

5

P 1 21/n 1

-P 2yn

14

- C29 H24 Mn N3 O4 -

- C116 H96 Mn4 N12 O16 -

4

1

MU1177

Xiong, R.-G.; You, X.-Z.; Wu, Q.-J.; Huang, X.-Y.

Tris(8-quinolinolato-N,O)manganese(III) Ethanol Solvate

Acta Crystallographica Section C

1,995

51

10

1978

1980

10.1107/S0108270195005373

0.71069

MoKα

null

0.064

null

0.069

null

1.42

null

has coordinates

Xiong, R.-G.; You, X.-Z.; Wu, Q.-J.; Huang, X.-Y. Tris(8-quinolinolato-N,O)manganese(III) Ethanol Solvate Acta Crystallographica Section C 51(10) (1995) 1978-1980

301,791

2025-08-18

23:15:25

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2,004,034

10.668

0.001

14.687

0.002

18.82

0.002

90

null

90

null

90

null

2,948.7

0.6

293

2

293

2

null

5

P b c a

-P 2ac 2ab

61

4-phenyl-6,7,8,9-tetrahydro-[1,2,4]triazolo-[4,3-a]thieno[3,2-e]pyrimidin- 5(4H)-one.

- C17 H14 N4 O S -

- C17 H13.4 N4 O S -

- C136 H107.2 N32 O8 S8 -

8

1

MU1178

Velavan, R.; Sivakumar, K.; Pathak, U. S.; Jain, K. S.; Singh, S.; Fun, H.-K.

4-Phenyl-6,7,8,9-tetrahydro-[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one

Acta Crystallographica Section C

1,995

51

10

2092

2094

10.1107/S0108270195005129

0.71073

MoKα

0.0459

0.0341

null

0.0996

0.0938

null

1.037

1.112

null

has coordinates

Velavan, R.; Sivakumar, K.; Pathak, U. S.; Jain, K. S.; Singh, S.; Fun, H.-K. 4-Phenyl-6,7,8,9-tetrahydro-[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one Acta Crystallographica Section C 51(10) (1995) 2092-2094

176,435

2020-10-21

18:00:00

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2,004,035

6.85

0.004

12.852

0.005

15.537

0.005

90

null

96.33

0.04

90

null

1,359.5

1.1

291

null

see text

7

P 1 21/n 1

-P 2yn

14

- C10 H8 Au B Cl2 F4 N2 -

- C40 H32 Au4 B4 Cl8 F16 N8 -

4

1

MU1181

McInnes, E. J. L.; Welch, A. J.; Yellowlees, L. J.

2,2'-Bipyridinedichlorogold(III) Tetrafluoroborate

Acta Crystallographica Section C

1,995

51

10

2023

2025

10.1107/S0108270195005099

0.71073

MoKα

null

0.0437

null

0.0592

null

1.284

null

has coordinates

McInnes, E. J. L.; Welch, A. J.; Yellowlees, L. J. 2,2'-Bipyridinedichlorogold(III) Tetrafluoroborate Acta Crystallographica Section C 51(10) (1995) 2023-2025

176,759

2020-10-21

18:00:00

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2,004,036

30.195

0.004

30.195

0.004

14.871

0.002

90

null

90

null

120

null

11,742

3

293

2

293

2

null

5

R 3 :H

R 3

146

Tetrameric copper(II) complex of 6-hydroxy-1-phenyl-3-methyl-4-azahexa-3- en-1-one

- C48 H52 Cu4 N4 O8 -

- C432 H468 Cu36 N36 O72 -

9

1

MU1182

Fun, H.-K.; Yip, B.-C.; Song, B.-L.; Xiong, R.-G.; You, X.-Z.

Tetrameric Copper(II) Complex of 6-Hydroxy-3-methyl-1-phenyl-4-azahexa-3-en-1-one

Acta Crystallographica Section C

1,995

51

10

1980

1982

10.1107/S0108270195005634

0.71073

MoKα

0.0566

0.0473

null

0.1342

0.1294

null

1.036

1.107

null

has coordinates

Fun, H.-K.; Yip, B.-C.; Song, B.-L.; Xiong, R.-G.; You, X.-Z. Tetrameric Copper(II) Complex of 6-Hydroxy-3-methyl-1-phenyl-4-azahexa-3-en-1-one Acta Crystallographica Section C 51(10) (1995) 1980-1982

301,791

2025-08-18

23:15:25

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2,004,037

10.2314

0.0009

12.1988

0.0013

12.4854

0.0006

89.937

0.006

102.916

0.006

111.827

0.007

1,404.2

0.2

298

null

298

2

null

5

P -1

-P 1

2

Bromotriphenyl(diphenylcyclopropenone)lead

- C33 H25 Br O Pb -

- C66 H50 Br2 O2 Pb2 -

2

1

MU1189

Ng, S. W.

Bromo(diphenylcyclopropenone)triphenyllead

Acta Crystallographica Section C

1,995

51

10

2042

2044

10.1107/S0108270195005397

0.71073

MoKα

0.1276

0.0545

null

0.1069

0.0846

null

1.025

1.091

null

has coordinates

Ng, S. W. Bromo(diphenylcyclopropenone)triphenyllead Acta Crystallographica Section C 51(10) (1995) 2042-2044

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/2/00/40/2004037.cif $ #-------------------------------------------------------------------...

2,004,038

7.45

0.002

13.184

0.002

10.388

0.001

90

null

100.87

0.01

90

null

1,002

0.3

298

2

298

2

null

6

P 1 21/c 1

-P 2ybc

14

Cd(Sacch)~2~(NH~3~)~4~

Tetra-amminebis(1,2-benzisothiazol-3(2H)-one 1,1-dioxide)-N-cadmium

- C14 H20 Cd N6 O6 S2 -

- C28 H40 Cd2 N12 O12 S4 -

2

0.5

NA1152

Pascual, I.

Tetraamminebis(saccharinato-N)cadmium

Acta Crystallographica Section C

1,995

51

10

2028

2030

10.1107/S0108270195002903

0.71073

MoKα

0.2006

0.0651

null

0.1208

0.0908

null

1.036

1.15

null

has coordinates

Pascual, I. Tetraamminebis(saccharinato-N)cadmium Acta Crystallographica Section C 51(10) (1995) 2028-2030

301,791

2025-08-18

23:15:25

#------------------------------------------------------------------------------ #$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/2/00/40/2004038.cif $ #-------------------------------------------------------------------...

4,322,325

11.805

0.002

12.065

0.002

24.985

0.005

102.39

0.03

93.74

0.03

91.05

0.03

3,466.4

1.2

293

2

293

2

null

9

P -1

-P 1

2

- C32 H84 F12 O4 P4 Re6 S4 Sb2 Se8 -

- C64 H168 F24 O8 P8 Re12 S8 Sb4 Se16 -

2

1

Zhiping Zheng; Thomas G. Gray; R. H. Holm

Synthesis and Structures of Solvated Monoclusters and Bridged Di- and Triclusters Based on the cubic Building Block [Re6(μ3-Se)8]2+

Inorganic Chemistry

1,999

38

4888

4895

10.1021/ic9906050

0.71073

MoKα

0.0902

0.0602

null

0.1575

0.1472

null

0.946

1.109

null

has coordinates

Zhiping Zheng; Thomas G. Gray; R. H. Holm Synthesis and Structures of Solvated Monoclusters and Bridged Di- and Triclusters Based on the cubic Building Block [Re6(μ3-Se)8]2+ Inorganic Chemistry 38 (1999) 4888-4895

179,326

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:24:39 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179326 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/23/4322325.cif $ #-------------------------------------------------------------------...

2,004,039

49.34

0.01

10.675

0.002

9.372

0.002

90

null

98.22

0.02

90

null

4,885.6

1.7

293

null

293

null

Janssen Research Foundation, Beerse, Belgium

5

C 1 c 1

C -2yc

9

1-[(4-Fluorophenyl)methyl]-N-[1-[2-(4-methoxyphenyl)ethyl]-4-piperidinyl]- 1H-benzimidazol-2-amine

- C28 H31 F N4 O -

- C224 H248 F8 N32 O8 -

8

2

NA1156

Peeters, O. M.; Blaton, N. M.; De Ranter, C. J.

1-[(4-Fluorophenyl)methyl]-N-{1-[2-(4-methoxyphenyl)ethyl]-4-piperidyl}-1H-benzimidazol-2-amine (Astemizole)

Acta Crystallographica Section C

1,995

51

10

2132

2135

10.1107/S0108270195004331

1.54184

CuKα

0.0547

0.0396

null

0.1225

0.1065

null

1.054

1.067

null

has coordinates

Peeters, O. M.; Blaton, N. M.; De Ranter, C. J. 1-[(4-Fluorophenyl)methyl]-N-{1-[2-(4-methoxyphenyl)ethyl]-4-piperidyl}-1H-benzimidazol-2-amine (Astemizole) Acta Crystallographica Section C 51(10) (1995) 2132-2135

301,791

2025-08-18

23:15:25

#------------------------------------------------------------------------------ #$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/2/00/40/2004039.cif $ #-------------------------------------------------------------------...

2,004,040

6.139

0.003

9.231

0.005

13.273

0.004

90

null

97.26

0.05

90

null

746.1

0.6

293

null

4

P 1 21/n 1

-P 2yn

14

- C6 H9 N S2 -

- C24 H36 N4 S8 -

4

1

NA1157

Laknifli, A.; Pierrot, M.; Chanon, F.; Chanon, M.

Five-, Six- and Seven-Membered-Ring Substituted Thiazolidine-2-thione

Acta Crystallographica Section C

1,995

51

10

2113

2116

10.1107/S010827019500432X

0.71073

MoKα

null

0.036

null

0.044

null

1.356

null

has coordinates

Laknifli, A.; Pierrot, M.; Chanon, F.; Chanon, M. Five-, Six- and Seven-Membered-Ring Substituted Thiazolidine-2-thione Acta Crystallographica Section C 51(10) (1995) 2113-2116

301,791

2025-08-18

23:15:25

#------------------------------------------------------------------------------ #$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/2/00/40/2004040.cif $ #-------------------------------------------------------------------...

2,004,041

5.359

0.002

10.433

0.005

16.812

0.006

90

null

91.49

0.04

90

null

939.6

0.7

293

null

4

P 1 21/n 1

-P 2yn

14

- C8 H13 N S2 -

- C32 H52 N4 S8 -

4

1

NA1157

Laknifli, A.; Pierrot, M.; Chanon, F.; Chanon, M.

Five-, Six- and Seven-Membered-Ring Substituted Thiazolidine-2-thione

Acta Crystallographica Section C

1,995

51

10

2113

2116

10.1107/S010827019500432X

0.71073

MoKα

null

0.036

null

0.0431

null

0.793

null

has coordinates

Laknifli, A.; Pierrot, M.; Chanon, F.; Chanon, M. Five-, Six- and Seven-Membered-Ring Substituted Thiazolidine-2-thione Acta Crystallographica Section C 51(10) (1995) 2113-2116

301,791

2025-08-18

23:15:25

#------------------------------------------------------------------------------ #$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/2/00/40/2004041.cif $ #-------------------------------------------------------------------...

2,004,042

8.629

0.003

12.282

0.006

8.844

0.003

90

null

98.02

0.04

90

null

928.1

0.6

293

null

4

P 1 21/n 1

-P 2yn

14

- C8 H13 N S2 -

- C32 H52 N4 S8 -

4

1

NA1157

Laknifli, A.; Pierrot, M.; Chanon, F.; Chanon, M.

Five-, Six- and Seven-Membered-Ring Substituted Thiazolidine-2-thione

Acta Crystallographica Section C

1,995

51

10

2113

2116

10.1107/S010827019500432X

0.71073

MoKα

null

0.047

null

0.052

null

1.406

null

has coordinates

Laknifli, A.; Pierrot, M.; Chanon, F.; Chanon, M. Five-, Six- and Seven-Membered-Ring Substituted Thiazolidine-2-thione Acta Crystallographica Section C 51(10) (1995) 2113-2116

301,791

2025-08-18

23:15:25

#------------------------------------------------------------------------------ #$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/2/00/40/2004042.cif $ #-------------------------------------------------------------------...

2,004,043

13.544

0.003

6.8416

0.0008

14.2204

0.0006

90

null

94.044

0.008

90

null

1,314.4

0.3

150

2

150

2

null

Chemical synthesis

5

P 1 21/a 1

-P 2yab

14

trimethyl[(trimethylstannyl)methyl]ammoniumiodide

- C7 H20 I N Sn -

- C28 H80 I4 N4 Sn4 -

4

1

NA1164

Cox, P. J.; Wardell, J. L.

Trimethyl[(trimethylstannyl)methyl]ammonium Iodide

Acta Crystallographica Section C

1,995

51

10

2037

2039

10.1107/S0108270195004495

0.71069

MoKα

0.0395

0.034

null

0.096

0.086

null

0.92

0.979

null

has coordinates

Cox, P. J.; Wardell, J. L. Trimethyl[(trimethylstannyl)methyl]ammonium Iodide Acta Crystallographica Section C 51(10) (1995) 2037-2039

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/2/00/40/2004043.cif $ #-------------------------------------------------------------------...

2,004,044

10.184

0.002

13.362

0.001

16.429

0.001

90

null

90

null

90

null

2,235.6

0.5

293

null

3

P 21 21 21

P 2ac 2ab

19

- C25 H34 O4 -

- C100 H136 O16 -

4

1

NA1165

Puliti, R.; De Rosa, S.; Mattia, C. A.

Studies on Avarol Derivatives. 2',5'-Diacetylavarol from Dysidea Avara

Acta Crystallographica Section C

1,995

51

10

2163

2166

10.1107/S0108270195004720

1.54056

CuKα

null

0.047

null

0.055

null

1.08

null

has coordinates

Puliti, R.; De Rosa, S.; Mattia, C. A. Studies on Avarol Derivatives. 2',5'-Diacetylavarol from Dysidea Avara Acta Crystallographica Section C 51(10) (1995) 2163-2166

301,791

2025-08-18

23:15:25

#------------------------------------------------------------------------------ #$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/2/00/40/2004044.cif $ #-------------------------------------------------------------------...

2,004,045

32.885

0.003

8.983

0.002

19.043

0.002

90

null

101.49

0.01

90

null

5,512.7

1.5

208

2

208

2

null

[TcNCl~2~(Me~2~PhP)~3~] + NaEt~2~dtp

7

C 1 2/c 1

-C 2yc

15

Dichloro(O,O'-diethyldithiophosphato-S,S')- bis(dimethylphenylphosphine)technetium(III)

- C20 H32 Cl2 O2 P3 S2 Tc -

- C160 H256 Cl16 O16 P24 S16 Tc8 -

8

1

NA1169

Abram, U.; Abram, S.; Dilworth, J. R.

trans-Dichloro(O,O'-diethyldithiophosphato-S,S')bis(dimethylphenylphosphine)technetium(III)

Acta Crystallographica Section C

1,995

51

10

1983

1985

10.1107/S0108270195005063

0.7093

MoKα

0.0377

0.0271

null

0.0753

0.0689

null

1.068

1.074

null

has coordinates

Abram, U.; Abram, S.; Dilworth, J. R. trans-Dichloro(O,O'-diethyldithiophosphato-S,S')bis(dimethylphenylphosphine)technetium(III) Acta Crystallographica Section C 51(10) (1995) 1983-1985

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/2/00/40/2004045.cif $ #-------------------------------------------------------------------...

2,004,046

8.5973

0.0005

16.592

0.0008

30.202

0.002

90

null

90

null

90

null

4,308.2

0.4

293

null

293

null

Janssen Research Foundation, Beerse, Belgium

6

P 21 21 21

P 2ac 2ab

19

(+)-(S)-4-[(2-Benzothiazolyl)methylamino]-α-[(3,4-difluorophenoxy)methyl]- piperidineethanol

- C22 H25 F2 N3 O2 S -

- C25 H26.5 F3 N3 O2 S -

- C200 H212 F24 N24 O16 S8 -

8

2

NA1175

Peeters, O. M.; Blaton, N. M.; De Ranter, C. J.

(+)-(S)-1-{4-[(2-Benzothiazolyl)(methyl)amino]piperidyl}-3-(3,4-difluorophenoxy)-2-propanol (Lubeluzole)

Acta Crystallographica Section C

1,995

51

10

2129

2132

10.1107/S0108270195005439

1.54184

CuKα

0.0591

0.0524

null

0.1541

0.154

null

1.039

1.038

null

has coordinates

Peeters, O. M.; Blaton, N. M.; De Ranter, C. J. (+)-(S)-1-{4-[(2-Benzothiazolyl)(methyl)amino]piperidyl}-3-(3,4-difluorophenoxy)-2-propanol (Lubeluzole) Acta Crystallographica Section C 51(10) (1995) 2129-2132

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/2/00/40/2004046.cif $ #-------------------------------------------------------------------...

4,322,324

12.826

0.003

17.121

0.003

13.23

0.003

90

null

104.66

0.03

90

null

2,810.6

1.1

293

2

293

2

null

8

P 1 21/n 1

-P 2yn

14

- C28 H66 F12 N2 P4 Re6 Sb2 Se8 -

- C28 H60 F12 N2 P4 Re6 Sb2 Se8 -

- C56 H120 F24 N4 P8 Re12 Sb4 Se16 -

2

0.5

Zhiping Zheng; Thomas G. Gray; R. H. Holm

Synthesis and Structures of Solvated Monoclusters and Bridged Di- and Triclusters Based on the cubic Building Block [Re6(μ3-Se)8]2+

Inorganic Chemistry

1,999

38

4888

4895

10.1021/ic9906050

0.71073

MoKα

0.0948

0.0678

null

0.1985

0.1845

null

1.091

1.239

null

has coordinates

Zhiping Zheng; Thomas G. Gray; R. H. Holm Synthesis and Structures of Solvated Monoclusters and Bridged Di- and Triclusters Based on the cubic Building Block [Re6(μ3-Se)8]2+ Inorganic Chemistry 38 (1999) 4888-4895

264,242

2021-04-16

8:52:17

#------------------------------------------------------------------------------ #$Date: 2021-04-16 11:46:56 +0300 (Fri, 16 Apr 2021) $ #$Revision: 264242 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/23/4322324.cif $ #-------------------------------------------------------------------...

2,004,047

7.653

0.004

15.98

0.01

17.57

0.01

90

null

90

null

90

null

2,149

2

293

null

293

null

Kali-Chemie, Pharma GmbH, Hannover, Germany

5

P b c 21

P 2c -2b

29

1,8-Dimethyl-2-[(3-furancarbonyl)aminomethyl]-5-phenyl- 2,3-dihydro-1H-1,4-benzodiazepin-4-ium Chloride

- C23 H24 Cl N3 O2 -

- C92 H96 Cl4 N12 O8 -

4

1

NA1182

Blaton, N. M.; Peeters, O. M.; De Ranter, C. J.

1,8-Dimethyl-2-(3-furanoylaminomethyl)-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-4-ium Chloride

Acta Crystallographica Section C

1,995

51

10

2177

2179

10.1107/S0108270195006949

1.54184

CuKα

0.0344

0.0334

null

0.0885

null

1.068

null

has coordinates

Blaton, N. M.; Peeters, O. M.; De Ranter, C. J. 1,8-Dimethyl-2-(3-furanoylaminomethyl)-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-4-ium Chloride Acta Crystallographica Section C 51(10) (1995) 2177-2179

301,791

2025-08-18

23:15:25

#------------------------------------------------------------------------------ #$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/2/00/40/2004047.cif $ #-------------------------------------------------------------------...

2,004,048

11.631

0.003

11.066

0.001

10.563

0.002

90

null

99.04

0.02

90

null

1,342.7

0.5

293

2

null

5

P 1 21/c 1

-P 2ybc

14

- C8 H16 Co N5 O7 -

- C32 H64 Co4 N20 O28 -

4

1

NS1000

Egan, T. J.; Baldwin, D. A.; Denner, L.; Levendis, D. C.; Marques, H. M.

Guanidinium β-cis-(Carbonato-O,O')(N,N'-ethylenediaminediacetato-N,N',O,O'')cobaltate(III)

Acta Crystallographica Section C

1,995

51

10

1994

1997

10.1107/S010827019500463X

0.71073

MoKα

null

0.0349

null

0.081

null

0.906

null

has coordinates

Egan, T. J.; Baldwin, D. A.; Denner, L.; Levendis, D. C.; Marques, H. M. Guanidinium β-cis-(Carbonato-O,O')(N,N'-ethylenediaminediacetato-N,N',O,O'')cobaltate(III) Acta Crystallographica Section C 51(10) (1995) 1994-1997

301,791

2025-08-18

23:15:25

#------------------------------------------------------------------------------ #$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/2/00/40/2004048.cif $ #-------------------------------------------------------------------...

2,004,049

10.253

0.001

13.061

0.001

16.593

0.001

112.94

0.01

99.4

0.01

91.09

0.01

2,010.5

0.3

200

2

200

2

null

ethanol

6

P -1

-P 1

2

2,4,6-Tris(2-pyridyl)-1,3,5-triazyllithium tetraphenylborate bis(ethanol) solvate

- C46 H44 B Li N6 O2 -

- C92 H88 B2 Li2 N12 O4 -

2

1

NS1001

Schödel, H.; Van, T. T. H.; Bock, H.

2,4,6-Tris(2-pyridyl)-1,3,5-triazine‒Lithium Tetraphenylborate Bis(ethanol) Solvate

Acta Crystallographica Section C

1,995

51

10

2001

2004

10.1107/S0108270195004641

0.71073

MoKα

0.0851

0.06

null

0.181

0.1547

null

1.021

1.073

null

has coordinates

Schödel, H.; Van, T. T. H.; Bock, H. 2,4,6-Tris(2-pyridyl)-1,3,5-triazine‒Lithium Tetraphenylborate Bis(ethanol) Solvate Acta Crystallographica Section C 51(10) (1995) 2001-2004

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/2/00/40/2004049.cif $ #-------------------------------------------------------------------...

2,004,050

16.636

0.003

16.733

0.003

17.19

0.003

90

null

98.25

0.01

90

null

4,735.7

1.5

296

null

7

P 1 21/c 1

-P 2ybc

14

- C64 H144 Ag2 I4 N4 O19 W6 -

- C64 Ag2 I4 N4 O19 W6 -

- C128 Ag4 I8 N8 O38 W12 -

2

0.5

OH1075

Hou, H.-W.; Ye, X.; Xin, X.; Wang, Z.; Liu, S.; Huang, J.

Tetrabutylammonium Di-μ-iodo-bis(iodoargentate) Hexatungstate, [^n^Bu~4~N]~4~[Ag~2~I~4~][W~6~O~19~]

Acta Crystallographica Section C

1,995

51

10

2013

2015

10.1107/S0108270195005038

0.71073

MoKα

null

0.038

null

0.047

null

1.08

null

has coordinates

Hou, H.-W.; Ye, X.; Xin, X.; Wang, Z.; Liu, S.; Huang, J. Tetrabutylammonium Di-μ-iodo-bis(iodoargentate) Hexatungstate, [^n^Bu~4~N]~4~[Ag~2~I~4~][W~6~O~19~] Acta Crystallographica Section C 51(10) (1995) 2013-2015

176,759

2020-10-21

18:00:00

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2,004,051

9.5394

0.0004

8.5756

0.0002

5.2508

0.0003

90

null

110.124

0.002

90

null

403.32

0.03

273

null

Ohashi, Osawa & Sato (1989)

4

P 1 21/c 1

-P 2ybc

14

- Ga Li O6 Si2 -

- Ga4 Li4 O24 Si8 -

4

1

Sato, Akira; Osawa, Toshikazu; Ohashi, Haruo

Low-Temperature Form of LiGaSi~2~O~6~

Acta Crystallographica, Section C: Crystal Structure Communications

1,995

51

10

1959

1960

10.1107/s0108270195004732

0.71073

MoKα

null

0.041

null

0.043

null

1.4

null

has coordinates

Sato, Akira; Osawa, Toshikazu; Ohashi, Haruo Low-Temperature Form of LiGaSi~2~O~6~ Acta Crystallographica, Section C: Crystal Structure Communications 51(10) (1995) 1959-1960

200,796

2020-10-21

18:00:00

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2,004,052

9.845

0.002

11.513

0.004

3.775

0.001

90

null

90

null

90

null

427.9

0.2

295

null

see text

4

P b a m

-P 2 2ab

55

- O8 S2 Sm2 Ta3 -

- O8 S2 Sm2 Ta4 -

- O16 S4 Sm4 Ta8 -

2

0.25

OH1081

Guo, G.; Wang, Y.; Chen, J.; Zhuang, H.; Huang, J.; Zhang, Q.

Samarium Tantalum Oxysulfide, Sm~2~Ta~3~S~2~O~8~

Acta Crystallographica Section C

1,995

51

10

1964

1966

10.1107/S0108270195005026

0.71069

MoKα

null

0.058

null

0.076

null

1.33

null

has coordinates

Guo, G.; Wang, Y.; Chen, J.; Zhuang, H.; Huang, J.; Zhang, Q. Samarium Tantalum Oxysulfide, Sm~2~Ta~3~S~2~O~8~ Acta Crystallographica Section C 51(10) (1995) 1964-1966

208,743

2020-10-21

18:00:00

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2,004,053

7.6178

0.0009

7.6178

0.0009

7.2537

0.0007

90

null

90

null

120

null

364.54

0.07

297

null

see text

4

R 3 2 :H

R 3 2"

155

- Ba H3 I O6 -

- Ba3 H9 I3 O18 -

3

0.166667

OH1082

Sasaki, M.; Yarita, T.; Sato, S.

Ba[H~3~IO~6~]

Acta Crystallographica Section C

1,995

51

10

1968

1970

10.1107/S0108270195004744

0.71069

MoKα

null

0.011

null

0.014

null

1.29

null

has coordinates

Sasaki, M.; Yarita, T.; Sato, S. Ba[H~3~IO~6~] Acta Crystallographica Section C 51(10) (1995) 1968-1970

211,153

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2018-09-25 15:03:40 +0300 (Tue, 25 Sep 2018) $ #$Revision: 211153 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/40/2004053.cif $ #-------------------------------------------------------------------...

2,004,054

12.2439

0.0012

10.6348

0.0009

14.0329

0.0013

90

null

117.964

0.006

90

null

1,613.9

0.3

293

2

293

2

null

Laboratory of Medicinal Chemistry, Liège

5

C 1 2/c 1

-C 2yc

15

3-methyl-4H-pyrido[2,3-e]-1,2,4-thiadiazine 1,1-dioxide

- C7 H7 N3 O2 S -

- C56 H56 N24 O16 S8 -

8

1

PA1157

Dupont, L.; Pirotte, B.; de Tullio, P.; Masereel, B.; Delarge, J.

3-Methyl-4H-pyrido[2,3-e]-1,2,4-thiadiazine 1,1-Dioxide

Acta Crystallographica Section C

1,995

51

10

2064

2066

10.1107/S0108270194014447

1.5418

CuKα

0.0324

0.0284

null

0.0784

0.0769

null

1.034

1.084

null

has coordinates,has Fobs

Dupont, L.; Pirotte, B.; de Tullio, P.; Masereel, B.; Delarge, J. 3-Methyl-4H-pyrido[2,3-e]-1,2,4-thiadiazine 1,1-Dioxide Acta Crystallographica Section C 51(10) (1995) 2064-2066

301,791

2025-08-18

23:15:25

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2,004,055

8.156

0.002

13.017

0.003

13.035

0.003

90

null

89.81

0.02

90

null

1,383.9

0.6

293

null

synthesis

4

P 1 21/n 1

-P 2yn

14

- C14 H14 N4 O3 -

- C56 H56 N16 O12 -

4

1

PA1163

Souron, J.-P.; Quarton, M.; Robert, F.; Lyubchova, A.; Cosse-Barbi, A.; Doucet, J. P.

Pyridoxal Isonicotinoyl Hydrazone (PIH), a Synthetic Ion-Chelating Agent

Acta Crystallographica Section C

1,995

51

10

2179

2182

10.1107/S0108270195004586

0.71069

MoKα

null

0.0389

null

0.0383

null

1.138

null

has coordinates

Souron, J.-P.; Quarton, M.; Robert, F.; Lyubchova, A.; Cosse-Barbi, A.; Doucet, J. P. Pyridoxal Isonicotinoyl Hydrazone (PIH), a Synthetic Ion-Chelating Agent Acta Crystallographica Section C 51(10) (1995) 2179-2182

301,791

2025-08-18

23:15:25

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2,004,056

8.448

0.002

9.383

0.003

21.14

0.007

90

null

90

null

90

null

1,675.7

0.9

293

null

293

null

chemical synthesis

6

P 21 21 21

P 2ac 2ab

19

(1S,2R,3R,4S)-N-methyl-1,2-oxydo-3-methyl-4-phenyl-1,2,3,4- tetrahydroisoquinolinium

- C17 H18 B F4 N O -

- C68 H72 B4 F16 N4 O4 -

4

1

PA1171

Chiaroni, A.; Hanquet, G.; Lusinchi, M.; Riche, C.

First X-ray Determination of an Oxaziridinium Salt: (1S,2R,3R,4S)-2,3-Dimethyl-4-phenyl-1,2,3,4-tetrahydro-1,2-epoxyisoquinolinium Tetrafluoroborate and (1S,2R,3R,4S)-3-Methyl-4-phenyl-1,2,3,4-tetrahydro-2,3-epoxyisoquinoline

Acta Crystallographica Section C

1,995

51

10

2047

2050

10.1107/S0108270195004604

1.5418

CuKα

null

0.097

null

0.083

null

1.05

null

has coordinates

Chiaroni, A.; Hanquet, G.; Lusinchi, M.; Riche, C. First X-ray Determination of an Oxaziridinium Salt: (1S,2R,3R,4S)-2,3-Dimethyl-4-phenyl-1,2,3,4-tetrahydro-1,2-epoxyisoquinolinium Tetrafluoroborate and (1S,2R,3R,4S)-3-Methyl-4-phenyl-1,2,3,4-tetrahydro-2,3-epoxy...

301,791

2025-08-18

23:15:25

#------------------------------------------------------------------------------ #$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/2/00/40/2004056.cif $ #-------------------------------------------------------------------...

4,322,323

14.0323

0.0003

11.9759

0.0002

16.8104

0.0002

90

null

107.682

0.001

90

null

2,691.52

0.08

173

null

173

null

5

P 1 2/n 1

-P 2yac

13

Tetra-(3,5-dimethylpyridin)Lithium-tetrakis(N-dihydro-3,5- dimethylpyridyl)-aluminate

- C56 H76 Al Li N8 -

- C112 H152 Al2 Li2 N16 -

2

0.5

Karl Hensen; Alexander Lemke; Thorsten Stumpf; Michael Bolte; Holger Fleischer; Colin R. Pulham; Robert O. Gould; Steven Harris

Synthesis and Structural Characterization of (1,4-Dihydropyrid-1-yl)aluminum Complexes

Inorganic Chemistry

1,999

38

4700

4704

10.1021/ic9905695

0.71073

MoKα

0.1245

0.0714

null

0.1553

0.1335

0.1553

null

1.074

null

1.074

null

has coordinates

Karl Hensen; Alexander Lemke; Thorsten Stumpf; Michael Bolte; Holger Fleischer; Colin R. Pulham; Robert O. Gould; Steven Harris Synthesis and Structural Characterization of (1,4-Dihydropyrid-1-yl)aluminum Complexes Inorganic Chemistry 38 (1999) 4700-4704

179,326

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:24:39 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179326 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/23/4322323.cif $ #-------------------------------------------------------------------...

2,004,057

9.13

0.007

15.082

0.012

9.506

0.007

90

null

100.36

0.03

90

null

1,287.6

1.7

293

null

293

null

chemical synthesis

4

P 1 21 1

P 2yb

4

(1S,2R,3R,4S)-1,2-oxydo-3-methyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline

- C16 H15 N O -

- C64 H60 N4 O4 -

4

2

PA1171

Chiaroni, A.; Hanquet, G.; Lusinchi, M.; Riche, C.

First X-ray Determination of an Oxaziridinium Salt: (1S,2R,3R,4S)-2,3-Dimethyl-4-phenyl-1,2,3,4-tetrahydro-1,2-epoxyisoquinolinium Tetrafluoroborate and (1S,2R,3R,4S)-3-Methyl-4-phenyl-1,2,3,4-tetrahydro-2,3-epoxyisoquinoline

Acta Crystallographica Section C

1,995

51

10

2047

2050

10.1107/S0108270195004604

1.5418

CuKα

null

0.045

null

0.06

null

0.81

null

has coordinates

Chiaroni, A.; Hanquet, G.; Lusinchi, M.; Riche, C. First X-ray Determination of an Oxaziridinium Salt: (1S,2R,3R,4S)-2,3-Dimethyl-4-phenyl-1,2,3,4-tetrahydro-1,2-epoxyisoquinolinium Tetrafluoroborate and (1S,2R,3R,4S)-3-Methyl-4-phenyl-1,2,3,4-tetrahydro-2,3-epoxy...

301,791

2025-08-18

23:15:25

#------------------------------------------------------------------------------ #$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/2/00/40/2004057.cif $ #-------------------------------------------------------------------...

2,004,058

8.517

0.006

15.512

0.009

25.925

0.014

90

null

90

null

90

null

3,425

4

293

null

293

null

4

P 21 21 21

P 2ac 2ab

19

11-12 dihydro, 7-triethylsilyl, 10-deacetylbaccatin III.

- C35 H52 O10 Si -

- C140 H208 O40 Si4 -

4

1

PA1173

Chiaroni, A.; Riche, C.; Marder, R.; Dubois, J.; Guénard, D.; Guéritte-Voegelein, F.

A 10-Deacetylbaccatin III Derivative: 11,12-Dihydro-7-triethylsilyl-10-deacetylbaccatin III

Acta Crystallographica Section C

1,995

51

10

2050

2053

10.1107/S0108270195004616

1.5418

CuKα

null

0.041

null

0.056

null

0.96

null

has coordinates,has disorder

Chiaroni, A.; Riche, C.; Marder, R.; Dubois, J.; Guénard, D.; Guéritte-Voegelein, F. A 10-Deacetylbaccatin III Derivative: 11,12-Dihydro-7-triethylsilyl-10-deacetylbaccatin III Acta Crystallographica Section C 51(10) (1995) 2050-2053

301,791

2025-08-18

23:15:25

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2,004,059

12.801

0.001

7.819

0.001

15.169

0.002

90

null

101.08

0.01

90

null

1,490

0.3

293

null

see prep

4

P 1 21/c 1

-P 2ybc

14

- C15 H22 N2 O2 -

- C60 H88 N8 O8 -

4

1

PA1179

Aubry, A.; Brembilla, A.; Faivre, V.; Lochon, P.

2-Hydroxymethyl-1-pentylbenzimidazole Hemi(1,4-dioxane) Solvate

Acta Crystallographica Section C

1,995

51

10

2147

2148

10.1107/S0108270195006688

1.5418

CuKα

null

0.044

null

0.046

null

4.34

null

has coordinates

Aubry, A.; Brembilla, A.; Faivre, V.; Lochon, P. 2-Hydroxymethyl-1-pentylbenzimidazole Hemi(1,4-dioxane) Solvate Acta Crystallographica Section C 51(10) (1995) 2147-2148

301,791

2025-08-18

23:15:25

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2,004,060

10.712

0.004

9.902

0.001

19.562

0.003

90

null

101.25

0.02

90

null

2,035.1

0.9

290

null

290

null

3

P 1 c 1

P -2yc

7

- C13 H12 O -

- C13 H11 O -

- C104 H88 O8 -

8

4

PA1180

Rajnikant; Watkin, D.; Tranter, G.

Biphenyl-2-methanol

Acta Crystallographica Section C

1,995

51

10

2161

2163

10.1107/S0108270195005002

1.54184

CuKα

null

0.0706

null

0.0764

null

1.18

null

has coordinates

Rajnikant; Watkin, D.; Tranter, G. Biphenyl-2-methanol Acta Crystallographica Section C 51(10) (1995) 2161-2163

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/2/00/40/2004060.cif $ #-------------------------------------------------------------------...

2,004,061

8.77

0.02

20.42

0.03

13.17

0.02

90

null

90

null

90

null

2,359

7

200

2

200

2

null

isolated from needles of Taxus chinensis; after CC-separation and purification recrystallisation from n-hexane/ EtOH.

3

P 21 21 21

P 2ac 2ab

19

2α,5α,9α-Trihydroxy-10β,13α-diacetoxy-4b,20-epoxy-taxa-11-ene

- C24 H36 O8 -

- C96 H144 O32 -

4

1

SE1076

Wiedenfeld, H.; Knoch, F.; Zhang, Z. P.

2α,5α,9α-Trihydroxy-10β,13α-diacetoxy-4β,20-epoxy-taxa-11-en, ein neues Taxan aus Taxus chinensis

Acta Crystallographica Section C

1,995

51

10

2184

2186

10.1107/S010827019500429X

0.71073

MoKα

0.0847

0.0393

null

0.0957

0.0837

null

0.708

1.049

null

has coordinates

Wiedenfeld, H.; Knoch, F.; Zhang, Z. P. 2α,5α,9α-Trihydroxy-10β,13α-diacetoxy-4β,20-epoxy-taxa-11-en, ein neues Taxan aus Taxus chinensis Acta Crystallographica Section C 51(10) (1995) 2184-2186

301,791

2025-08-18

23:15:25

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2,004,062

9.759

0.001

27.561

0.001

8.941

0.001

90

null

114.87

0.01

90

null

2,181.8

0.4

293

null

6

P 1 21/c 1

-P 2ybc

14

- C21 H30 N O P S -

- C84 H120 N4 O4 P4 S4 -

4

1

SH1109

Wieczorek, W.

[3,3-Dimethyl-1-(2-pyridylthio)butyl]methyl(2,4,6-trimethylphenyl)phosphine Oxide

Acta Crystallographica Section C

1,995

51

10

2108

2110

10.1107/S0108270195004100

1.54184

CuKα

null

0.049

null

0.053

null

2.03

null

has coordinates

Wieczorek, W. [3,3-Dimethyl-1-(2-pyridylthio)butyl]methyl(2,4,6-trimethylphenyl)phosphine Oxide Acta Crystallographica Section C 51(10) (1995) 2108-2110

301,791

2025-08-18

23:15:25

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4,322,322

9.8484

0.0001

10.4148

0.0001

11.8007

0.0001

89.817

0.001

107.533

0.001

90.358

0.001

1,154.13

0.02

173

null

173

null

5

P 1

1

- C48 H60 Al Li N8 -

1

Karl Hensen; Alexander Lemke; Thorsten Stumpf; Michael Bolte; Holger Fleischer; Colin R. Pulham; Robert O. Gould; Steven Harris

Synthesis and Structural Characterization of (1,4-Dihydropyrid-1-yl)aluminum Complexes

Inorganic Chemistry

1,999

38

4700

4704

10.1021/ic9905695

0.71073

MoKα

0.1071

0.0773

null

0.228

0.202

0.228

null

0.955

null

0.955

null

has coordinates

Karl Hensen; Alexander Lemke; Thorsten Stumpf; Michael Bolte; Holger Fleischer; Colin R. Pulham; Robert O. Gould; Steven Harris Synthesis and Structural Characterization of (1,4-Dihydropyrid-1-yl)aluminum Complexes Inorganic Chemistry 38 (1999) 4700-4704

179,326

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:24:39 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179326 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/23/4322322.cif $ #-------------------------------------------------------------------...

2,004,063

11.35

0.003

13.838

0.003

10.509

0.003

90

null

100.15

0.02

90

null

1,624.7

0.7

296

null

Recrystallization from ether/petroleum ether at 253 K

4

P 1 21/c 1

-P 2ybc

14

- C20 H19 Br O2 -

- C20 H17 Br O2 -

- C80 H68 Br4 O8 -

4

1

SZ1004

Lloyd, B. A.; Arif, A. M.; Coots, R. J.; Allred, E. L.

A Structure with Through-Space Cyclopropyl π-Interaction

Acta Crystallographica Section C

1,995

51

10

2059

2062

10.1107/S0108270195003477

0.71073

MoKα

null

0.0622

null

0.0625

null

2.3818

null

has coordinates

Lloyd, B. A.; Arif, A. M.; Coots, R. J.; Allred, E. L. A Structure with Through-Space Cyclopropyl π-Interaction Acta Crystallographica Section C 51(10) (1995) 2059-2062

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/2/00/40/2004063.cif $ #-------------------------------------------------------------------...

2,004,064

9.3901

0.0015

18.497

0.003

4.2114

0.0005

90.65

0.01

102.86

0.01

73.09

0.01

681.17

0.18

294

null

3

P -1

-P 1

2

- C20 H14 O2 -

- C40 H28 O4 -

2

1

SZ1006

Zacharias, D. E.; Glusker, J. P.; Harvey, R. G.

4,5-Dihydrobenzo[a]pyrene-4,5-trans-(e,e)-diol

Acta Crystallographica Section C

1,995

51

10

2096

2098

10.1107/S0108270195003489

1.5418

CuKα

null

0.045

null

0.058

null

0.85

null

has coordinates

Zacharias, D. E.; Glusker, J. P.; Harvey, R. G. 4,5-Dihydrobenzo[a]pyrene-4,5-trans-(e,e)-diol Acta Crystallographica Section C 51(10) (1995) 2096-2098

301,791

2025-08-18

23:15:25

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2,004,065

5.564

0.002

17.816

0.011

17.028

0.009

90

null

92.1

0.04

90

null

1,686.8

1.5

288

null

3

P 1 21/c 1

-P 2ybc

14

- C15 H20 O10 -

- C60 H80 O40 -

4

1

SZ1017

Baughman, R. G.; Sands, R. D.

Methyl 1-Hydroxy-2,4,6-trimethoxycarbonyl-3-oxo-1-cyclohexaneacetate

Acta Crystallographica Section C

1,995

51

10

2068

2071

10.1107/S0108270195003532

0.71073

MoKα

null

0.071

null

0.127

null

1.027

null

has coordinates

Baughman, R. G.; Sands, R. D. Methyl 1-Hydroxy-2,4,6-trimethoxycarbonyl-3-oxo-1-cyclohexaneacetate Acta Crystallographica Section C 51(10) (1995) 2068-2071

301,791

2025-08-18

23:15:25

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2,004,066

5.923

0.001

6.803

0.001

19.554

0.005

90

null

90

0.03

90

null

787.9

0.3

293

2

293

2

null

4

P 1 21/c 1

-P 2ybc

14

N,N'-dicyclohexyl-dithiooxamide.

- C14 H24 N2 S2 -

- C28 H48 N4 S4 -

2

0.5

SZ1025

Perec, M.; Baggio, R.; Garland, M. T.

N,N'-Dicyclohexyldithiooxamide

Acta Crystallographica Section C

1,995

51

10

2182

2184

10.1107/S0108270195006391

0.71073

MoKα

0.0262

0.0254

null

0.0747

0.0645

null

0.267

0.234

null

has coordinates

Perec, M.; Baggio, R.; Garland, M. T. N,N'-Dicyclohexyldithiooxamide Acta Crystallographica Section C 51(10) (1995) 2182-2184

301,791

2025-08-18

23:15:25

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2,004,067

5.394

0.002

11.725

0.002

20.062

0.005

90

null

95.48

0.02

90

null

1,263

0.6

298

null

298

null

4

P 1 21/c 1

-P 2ybc

14

dicyclohexylammonium chloride

- C12 H24 Cl N -

- C48 H96 Cl4 N4 -

4

1

TA1015

Ng, S. W.

Dicyclohexylammonium Chloride

Acta Crystallographica Section C

1,995

51

10

2149

2150

10.1107/S0108270195003131

0.71073

MoKα

0.0629

0.0398

null

0.1027

0.0929

null

1.039

1.107

null

has coordinates

Ng, S. W. Dicyclohexylammonium Chloride Acta Crystallographica Section C 51(10) (1995) 2149-2150

301,791

2025-08-18

23:15:25

#------------------------------------------------------------------------------ #$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/2/00/40/2004067.cif $ #-------------------------------------------------------------------...

2,004,068

10.664

0.002

9.829

0.004

20.058

0.002

90

null

105.315

0.005

90

null

2,027.7

0.9

298

null

298

null

5

P 1 2/a 1

-P 2ya

13

bis(dicyclohexylammonium trithiocarbodiglycolate trithiocarbodiglycolic acid

- C17 H29 N O4 S3 -

- C68 H116 N4 O16 S12 -

4

1

TA1016

Ng, S. W.

Bis(dicyclohexylammonium) Trithiocarbodiglycolate Trithiocarbodiglycolic Acid

Acta Crystallographica Section C

1,995

51

10

2150

2152

10.1107/S010827019500312X

0.71073

MoKα

0.0849

0.0435

null

0.1186

0.0999

null

0.992

1.067

null

has coordinates

Ng, S. W. Bis(dicyclohexylammonium) Trithiocarbodiglycolate Trithiocarbodiglycolic Acid Acta Crystallographica Section C 51(10) (1995) 2150-2152

301,791

2025-08-18

23:15:25

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2,004,069

6.732

0.002

24.375

0.004

12.027

0.003

90

null

115.1

0.02

90

null

1,787.2

0.8

293

null

3

P 1 21/n 1

-P 2yn

14

- C21 H22 O4 -

- C84 H88 O16 -

4

1

VJ1022

Magotra, D. K.; Gupta, V. K.; Rajnikant; Goswami, K. N.; Thappa, R. K.

Archangelin

Acta Crystallographica Section C

1,995

51

10

2196

2198

10.1107/S0108270195005506

0.71073

MoKα

null

0.051

null

0.154

null

0.679

null

has coordinates

Magotra, D. K.; Gupta, V. K.; Rajnikant; Goswami, K. N.; Thappa, R. K. Archangelin Acta Crystallographica Section C 51(10) (1995) 2196-2198

301,791

2025-08-18

23:15:25

#------------------------------------------------------------------------------ #$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/2/00/40/2004069.cif $ #-------------------------------------------------------------------...

2,004,070

13.538

0.003

10.798

0.003

24.646

0.002

90

null

91.4

0.03

90

null

3,601.8

1.3

293

null

5

P 1 21/c 1

-P 2ybc

14

- C36 H20 Ca N10 O14 -

- C36 H20 Ca N10 O13.9 -

- C144 H80 Ca4 N40 O55.6 -

4

1

AB1176

Vijayvergiya, V.; Padmanabhan, B.; Singh, T. P.

trans-Bis(1,10-phenanthroline)-trans-bis(2,4,6-trinitrophenolato-O,O')calcium(II)

Acta Crystallographica Section C

1,995

51

11

2235

2238

10.1107/S0108270195005233

1.54184

CuKα

null

0.061

null

0.061

null

1.59

null

has coordinates

Vijayvergiya, V.; Padmanabhan, B.; Singh, T. P. trans-Bis(1,10-phenanthroline)-trans-bis(2,4,6-trinitrophenolato-O,O')calcium(II) Acta Crystallographica Section C 51(11) (1995) 2235-2238

192,027

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-02-13 17:46:56 +0200 (Mon, 13 Feb 2017) $ #$Revision: 192027 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/40/2004070.cif $ #-------------------------------------------------------------------...

2,004,071

16.4845

0.0007

8.0579

0.0004

21.8436

0.0013

90

null

98.812

0.005

90

null

2,867.2

0.3

293

2

293

2

null

4

P 1 21/c 1

-P 2ybc

14

endo-5-methyl-exo-6-phenylseleno-endo-tricyclo[5.2.1.0^2,6^]deca-8-en-3-one

- C17 H18 O Se -

- C136 H144 O8 Se8 -

8

2

AB1222

Moers, F. G.; Smits, J. M. M.; Beurskens, P. T.; Zhu, J.; Klunder, A. J. H.

endo-5-Methyl-exo-6-phenylseleno-endo-tricyclo[5.2.1.0^2,6^]dec-8-en-3-one

Acta Crystallographica Section C

1,995

51

11

2335

2338

10.1107/S0108270195006251

0.71073

MoKα

0.1784

0.0584

null

0.0928

0.0685

null

1.101

1.293

null

has coordinates

Moers, F. G.; Smits, J. M. M.; Beurskens, P. T.; Zhu, J.; Klunder, A. J. H. endo-5-Methyl-exo-6-phenylseleno-endo-tricyclo[5.2.1.0^2,6^]dec-8-en-3-one Acta Crystallographica Section C 51(11) (1995) 2335-2338

301,791

2025-08-18

23:15:25

#------------------------------------------------------------------------------ #$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/2/00/40/2004071.cif $ #-------------------------------------------------------------------...

2,004,072

15.011

0.008

8.862

0.004

9.068

0.004

90

null

107.5

0.02

90

null

1,150.5

1

293

2

293

2

null

5

P 1 21/c 1

-P 2ybc

14

diglycyl-glycine methyl ester hydrochloride

- C7 H14 Cl N3 O4 -

- C28 H56 Cl4 N12 O16 -

4

1

AB1258

Handelsman-Benory, E.; Botoshansky, M.; Kaftory, M.

Hydrogen Bonding in Glycyl-glycyl-glycine Methyl Ester Hydrochloride

Acta Crystallographica Section C

1,995

51

11

2362

2364

10.1107/S0108270195005646

0.71069

MoKα

0.0646

0.0484

null

0.1541

0.1394

null

1.045

1.08

null

has coordinates

Handelsman-Benory, E.; Botoshansky, M.; Kaftory, M. Hydrogen Bonding in Glycyl-glycyl-glycine Methyl Ester Hydrochloride Acta Crystallographica Section C 51(11) (1995) 2362-2364

301,791

2025-08-18

23:15:25

#------------------------------------------------------------------------------ #$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/2/00/40/2004072.cif $ #-------------------------------------------------------------------...

2,004,073

10.857

0.003

11.445

0.002

13.916

0.003

87.51

0.02

80.91

0.02

73.42

0.03

1,636.5

0.7

294

null

6

P -1

-P 1

2

- C16 H19 Cl N O3 P -

- C64 H76 Cl4 N4 O12 P4 -

4

2

AB1259

Liu, X.-L.; Zhou, Y.; Li, W.-Z.; Fan, Z.; Miao, F.-M.; Mao, L.-J.; Chen, R.-Y.

Dimethyl [α-(Benzylamino)-p-chlorobenzyl]phosphonate

Acta Crystallographica Section C

1,995

51

11

2350

2352

10.1107/S0108270195005245

0.71073

MoKα

null

0.055

null

0.056

null

1.51

null

has coordinates

Liu, X.-L.; Zhou, Y.; Li, W.-Z.; Fan, Z.; Miao, F.-M.; Mao, L.-J.; Chen, R.-Y. Dimethyl [α-(Benzylamino)-p-chlorobenzyl]phosphonate Acta Crystallographica Section C 51(11) (1995) 2350-2352

301,791

2025-08-18

23:15:25

#------------------------------------------------------------------------------ #$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/2/00/40/2004073.cif $ #-------------------------------------------------------------------...

2,004,074

8.142

0.009

17.617

0.008

10.479

0.004

90

null

107.23

0.07

90

null

1,435.6

1.9

296

null

7

P 1 21/c 1

-P 2ybc

14

- C18 H32 N4 Ni O4 P2 S4 -

- C36 H64 N8 Ni2 O8 P4 S8 -

2

0.5

AB1261

Huang, X.-Y.; Xiong, R.-G.; You, X.-Z.

The Adduct of Bis(O,O'-diethyl dithiophosphato)nickel(II) with 3-Aminopyridine

Acta Crystallographica Section C

1,995

51

11

2261

2263

10.1107/S0108270195004999

0.71073

MoKα

null

0.04

null

0.051

null

1.42

null

has coordinates

Huang, X.-Y.; Xiong, R.-G.; You, X.-Z. The Adduct of Bis(O,O'-diethyl dithiophosphato)nickel(II) with 3-Aminopyridine Acta Crystallographica Section C 51(11) (1995) 2261-2263

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/2/00/40/2004074.cif $ #-------------------------------------------------------------------...

4,322,321

16.3857

0.0002

16.3857

0.0002

13.7272

0.0002

90

null

90

null

90

null

3,685.63

0.08

173

null

173

null

5

I -4

82

- C40 H44 Al Li N8 -

- C160 H176 Al4 Li4 N32 -

4

0.5

Karl Hensen; Alexander Lemke; Thorsten Stumpf; Michael Bolte; Holger Fleischer; Colin R. Pulham; Robert O. Gould; Steven Harris

Synthesis and Structural Characterization of (1,4-Dihydropyrid-1-yl)aluminum Complexes

Inorganic Chemistry

1,999

38

4700

4704

10.1021/ic9905695

0.71073

MoKα

0.1265

0.0957

null

0.2926

0.2575

0.2926

null

1.071

null

1.071

null

has coordinates

Karl Hensen; Alexander Lemke; Thorsten Stumpf; Michael Bolte; Holger Fleischer; Colin R. Pulham; Robert O. Gould; Steven Harris Synthesis and Structural Characterization of (1,4-Dihydropyrid-1-yl)aluminum Complexes Inorganic Chemistry 38 (1999) 4700-4704

179,326

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:24:39 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179326 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/23/4322321.cif $ #-------------------------------------------------------------------...

2,004,075

9.131

0.002

6.775

0.001

7.769

0.002

90

null

116.22

0.02

90

null

431.1

0.2

293

null

4

C 1 2/m 1

-C 2y

12

- F11 Mn Na Zr2 -

- F22 Mn2 Na2 Zr4 -

2

0.25

Kettani, M. H.; Avignant, D.; Metin, J.

NaM^II^Zr~2~F~11~ (M^II^ = Mn, Fe, Co, Ni, Zn) Fluorides

Acta Crystallographica, Section C: Crystal Structure Communications

1,995

51

11

2207

2210

10.1107/s0108270195006081

null

has coordinates

Kettani, M. H.; Avignant, D.; Metin, J. NaM^II^Zr~2~F~11~ (M^II^ = Mn, Fe, Co, Ni, Zn) Fluorides Acta Crystallographica, Section C: Crystal Structure Communications 51(11) (1995) 2207-2210

200,796

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-09-13 03:36:10 +0300 (Wed, 13 Sep 2017) $ #$Revision: 200796 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/40/2004075.cif $ #-------------------------------------------------------------------...

2,004,076

9.069

0.003

6.736

0.001

7.757

0.001

90

null

116.22

0.01

90

null

425.1

0.2

293

null

4

C 1 2/m 1

-C 2y

12

- F11 Fe Na Zr2 -

- F22 Fe2 Na2 Zr4 -

2

0.25

Kettani, M. H.; Avignant, D.; Metin, J.

NaM^II^Zr~2~F~11~ (M^II^ = Mn, Fe, Co, Ni, Zn) Fluorides

Acta Crystallographica, Section C: Crystal Structure Communications

1,995

51

11

2207

2210

10.1107/s0108270195006081

null

has coordinates

Kettani, M. H.; Avignant, D.; Metin, J. NaM^II^Zr~2~F~11~ (M^II^ = Mn, Fe, Co, Ni, Zn) Fluorides Acta Crystallographica, Section C: Crystal Structure Communications 51(11) (1995) 2207-2210

200,796

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-09-13 03:36:10 +0300 (Wed, 13 Sep 2017) $ #$Revision: 200796 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/40/2004076.cif $ #-------------------------------------------------------------------...

2,004,077

9.037

0.001

6.7

0.001

7.725

0.002

90

null

116.26

0.01

90

null

419.5

0.1

293

null

4

C 1 2/m 1

-C 2y

12

- Co F11 Na Zr2 -

- Co2 F22 Na2 Zr4 -

2

0.25

Kettani, M. H.; Avignant, D.; Metin, J.

NaM^II^Zr~2~F~11~ (M^II^ = Mn, Fe, Co, Ni, Zn) Fluorides

Acta Crystallographica, Section C: Crystal Structure Communications

1,995

51

11

2207

2210

10.1107/s0108270195006081

null

has coordinates

Kettani, M. H.; Avignant, D.; Metin, J. NaM^II^Zr~2~F~11~ (M^II^ = Mn, Fe, Co, Ni, Zn) Fluorides Acta Crystallographica, Section C: Crystal Structure Communications 51(11) (1995) 2207-2210

200,796

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-09-13 03:36:10 +0300 (Wed, 13 Sep 2017) $ #$Revision: 200796 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/40/2004077.cif $ #-------------------------------------------------------------------...

2,004,078

9.002

0.002

6.675

0.001

7.709

0.001

90

null

116.24

0.02

90

null

415.5

0.2

293

null

4

C 1 2/m 1

-C 2y

12

- F11 Na Ni Zr2 -

- F22 Na2 Ni2 Zr4 -

2

0.25

Kettani, M. H.; Avignant, D.; Metin, J.

NaM^II^Zr~2~F~11~ (M^II^ = Mn, Fe, Co, Ni, Zn) Fluorides

Acta Crystallographica, Section C: Crystal Structure Communications

1,995

51

11

2207

2210

10.1107/s0108270195006081

null

has coordinates

Kettani, M. H.; Avignant, D.; Metin, J. NaM^II^Zr~2~F~11~ (M^II^ = Mn, Fe, Co, Ni, Zn) Fluorides Acta Crystallographica, Section C: Crystal Structure Communications 51(11) (1995) 2207-2210

200,796

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-09-13 03:36:10 +0300 (Wed, 13 Sep 2017) $ #$Revision: 200796 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/40/2004078.cif $ #-------------------------------------------------------------------...

2,004,079

9.025

0.003

6.695

0.001

7.721

0.001

90

null

116.18

0.01

90

null

418.66

0.17

293

null

4

C 1 2/m 1

-C 2y

12

- F11 Na Zn Zr2 -

- F22 Na2 Zn2 Zr4 -

2

0.25

AB1265

Kettani, M. H.; Avignant, D.; Metin, J.

NaM^II^Zr~2~F~11~ (M^II^ = Mn, Fe, Co, Ni, Zn) Fluorides

Acta Crystallographica Section C

1,995

51

11

2207

2210

10.1107/S0108270195006081

0.71073

MoKα

null

0.028

null

0.035

null

1.23

null

has coordinates

Kettani, M. H.; Avignant, D.; Metin, J. NaM^II^Zr~2~F~11~ (M^II^ = Mn, Fe, Co, Ni, Zn) Fluorides Acta Crystallographica Section C 51(11) (1995) 2207-2210

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/2/00/40/2004079.cif $ #-------------------------------------------------------------------...

2,004,080

12.38

0.002

11.194

0.002

26.892

0.005

90

null

90

null

90

null

3,726.7

1.1

293

2

293

2

null

3

P c a 21

P 2c -2ac

29

1,2;3,4-Bis(8',11'-dioxa[4.3.3]propella(3',4'))benzene

1H,3H,4H,7H,8H,10H,11H,12H-3a,12a:7a,10a-Bis(methanoxymethano)phenanthro [2,3-c:6,7-c']difuran

- C22 H26 O4 -

- C176 H208 O32 -

8

2

AB1266

Stadnicka, K.; Zeslawski, W.

1,2;3,4-Bis{8',11'-dioxa[4.3.3]propella(3',4')}benzene: a Bis(propellene) from Prehnitene

Acta Crystallographica Section C

1,995

51

11

2377

2381

10.1107/S0108270195007402

0.7093

MoKα~1~

0.0593

0.0317

null

0.0809

0.0709

null

1.066

1.146

null

has coordinates

Stadnicka, K.; Zeslawski, W. 1,2;3,4-Bis{8',11'-dioxa[4.3.3]propella(3',4')}benzene: a Bis(propellene) from Prehnitene Acta Crystallographica Section C 51(11) (1995) 2377-2381

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/2/00/40/2004080.cif $ #-------------------------------------------------------------------...

2,004,081

12.666

0.001

8.552

0.002

8.034

0.002

90

null

95.49

0.01

90

null

866.2

0.3

173

1

173

1

null

4

P 1 21/c 1

-P 2ybc

14

2,6-dimethylanilinium chloride

2,6-dimethylphenylammonium chloride

- C8 H12 Cl N -

- C32 H48 Cl4 N4 -

4

1

AB1275

Linden, A.; James, B. D.; Liesegang, J.

2,6-Dimethylphenylammonium Chloride at 173 and 293 K

Acta Crystallographica Section C

1,995

51

11

2317

2320

10.1107/S0108270195007918

0.71069

MoKα

0.0509

0.0342

null

0.0438

0.0413

null

1.669

null

has coordinates

Linden, A.; James, B. D.; Liesegang, J. 2,6-Dimethylphenylammonium Chloride at 173 and 293 K Acta Crystallographica Section C 51(11) (1995) 2317-2320

301,791

2025-08-18

23:15:25

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2,004,082

12.766

0.002

8.566

0.001

8.136

0.001

90

null

94.84

0.01

90

null

886.5

0.2

293

1

293

1

null

4

P 1 21/c 1

-P 2ybc

14

2,6-dimethylanilinium chloride

2,6-dimethylphenylammonium chloride

- C8 H12 Cl N -

- C32 H48 Cl4 N4 -

4

1

AB1275

Linden, A.; James, B. D.; Liesegang, J.

2,6-Dimethylphenylammonium Chloride at 173 and 293 K

Acta Crystallographica Section C

1,995

51

11

2317

2320

10.1107/S0108270195007918

0.71069

MoKα

0.1203

0.0465

null

0.045

0.039

null

1.801

null

has coordinates

Linden, A.; James, B. D.; Liesegang, J. 2,6-Dimethylphenylammonium Chloride at 173 and 293 K Acta Crystallographica Section C 51(11) (1995) 2317-2320

301,791

2025-08-18

23:15:25

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2,004,083

9.502

0.003

9.98

0.004

10.68

0.004

90

null

90

null

90

null

1,012.8

0.6

150

2

150

2

null

4

P 21 21 21

P 2ac 2ab

19

- C11 H15 N O -

- C44 H60 N4 O4 -

4

1

AB1286

Hibbs, D. E.; Hursthouse, M. B.; Malik, K. M. A.

({-})-(1S,3R,4R,6S)-4,7,7-Trimethyl-5-oxobicyclo[4.1.0]heptane-3-carbonitrile

Acta Crystallographica Section C

1,995

51

11

2315

2317

10.1107/S0108270195008316

0.71069

MoKα

0.039

0.0365

null

0.0881

0.0876

null

1.096

1.132

null

has coordinates

Hibbs, D. E.; Hursthouse, M. B.; Malik, K. M. A. ({-})-(1S,3R,4R,6S)-4,7,7-Trimethyl-5-oxobicyclo[4.1.0]heptane-3-carbonitrile Acta Crystallographica Section C 51(11) (1995) 2315-2317

301,791

2025-08-18

23:15:25

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2,004,084

11.529

0.004

17.725

0.005

7.172

0.005

90

null

90

null

90

null

1,465.6

1.2

173

1

173

1

null

3

P 21 21 21

P 2ac 2ab

19

methyl 2,2^1^-anhydro-4,6-O-benzylidene-3-deoxy-3-C-[(R)-2-hydroxyethyl]- α-D-allopyranoside

- C16 H20 O5 -

- C64 H80 O20 -

4

1

AB1289

Linden, A.; Lee, C. K.

Methyl 2,2^1^-Anhydro-4,6-O-benzylidene-3-deoxy-3-C-[(R)-2-hydroxyethyl]-α-D-allo-pyranoside at 173 K

Acta Crystallographica Section C

1,995

51

11

2320

2322

10.1107/S0108270195008997

0.71069

MoKα

0.0777

0.0453

null

0.0432

0.0399

null

1.598

null

has coordinates,has Fobs

Linden, A.; Lee, C. K. Methyl 2,2^1^-Anhydro-4,6-O-benzylidene-3-deoxy-3-C-[(R)-2-hydroxyethyl]-α-D-allo-pyranoside at 173 K Acta Crystallographica Section C 51(11) (1995) 2320-2322

301,791

2025-08-18

23:15:25

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4,322,320

9.202

0.005

10.888

0.005

11.756

0.005

109.74

0.03

98.28

0.03

96.43

0.03

1,080.6

0.9

220

2

220

2

null

4

P -1

-P 1

2

- C23.5 H27 Al N4 -

- C47 H54 Al2 N8 -

2

1

Karl Hensen; Alexander Lemke; Thorsten Stumpf; Michael Bolte; Holger Fleischer; Colin R. Pulham; Robert O. Gould; Steven Harris

Synthesis and Structural Characterization of (1,4-Dihydropyrid-1-yl)aluminum Complexes

Inorganic Chemistry

1,999

38

4700

4704

10.1021/ic9905695

0.71073

MoKα

0.0736

0.0498

null

0.1354

null

0.1163

null

1.021

null

1.03

null

has coordinates,has disorder

Karl Hensen; Alexander Lemke; Thorsten Stumpf; Michael Bolte; Holger Fleischer; Colin R. Pulham; Robert O. Gould; Steven Harris Synthesis and Structural Characterization of (1,4-Dihydropyrid-1-yl)aluminum Complexes Inorganic Chemistry 38 (1999) 4700-4704

211,332

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2018-10-05 15:19:55 +0300 (Fri, 05 Oct 2018) $ #$Revision: 211332 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/23/4322320.cif $ #-------------------------------------------------------------------...

2,004,085

9.005

0.001

9.416

0.001

9.269

0.001

90

null

90.58

0.01

90

null

785.89

0.15

293

2

293

2

null

4

P 1 21/c 1

-P 2ybc

14

1,3-diethyl thiourea

- C5 H12 N2 S -

- C20 H48 N8 S4 -

4

1

AS1179

Ramnathan, A.; Sivakumar, K.; Subramanian, K.; Janarthanan, N.; Ramadas, K.; Fun, H.-K.

Symmetrically Substituted Thiourea Derivatives

Acta Crystallographica Section C

1,995

51

11

2446

2450

10.1107/S010827019500607X

0.71073

MoKα

0.1003

0.0723

null

0.2364

0.2153

null

1.021

1.199

null

has coordinates

Ramnathan, A.; Sivakumar, K.; Subramanian, K.; Janarthanan, N.; Ramadas, K.; Fun, H.-K. Symmetrically Substituted Thiourea Derivatives Acta Crystallographica Section C 51(11) (1995) 2446-2450

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/2/00/40/2004085.cif $ #-------------------------------------------------------------------...

2,004,086

10.463

0.002

9.276

0.002

10.596

0.003

90

null

107.83

0.02

90

null

979

0.4

293

2

293

2

null

4

P 1 21/c 1

-P 2ybc

14

1,3-diisopropyl thiourea

- C7 H16 N2 S -

- C28 H64 N8 S4 -

4

1

AS1179

Ramnathan, A.; Sivakumar, K.; Subramanian, K.; Janarthanan, N.; Ramadas, K.; Fun, H.-K.

Symmetrically Substituted Thiourea Derivatives

Acta Crystallographica Section C

1,995

51

11

2446

2450

10.1107/S010827019500607X

0.71073

MoKα

0.0477

0.0395

null

0.1153

0.1116

null

1.058

1.131

null

has coordinates

Ramnathan, A.; Sivakumar, K.; Subramanian, K.; Janarthanan, N.; Ramadas, K.; Fun, H.-K. Symmetrically Substituted Thiourea Derivatives Acta Crystallographica Section C 51(11) (1995) 2446-2450

301,791

2025-08-18

23:15:25

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2,004,087

7.951

0.002

25.576

0.009

5.689

0.002

90

null

90

null

90

null

1,156.9

0.6

293

2

293

2

null

4

P n m a

-P 2ac 2n

62

1,3-diphenyl thiourea

- C13 H12 N2 S -

- C52 H48 N8 S4 -

4

0.5

AS1179

Ramnathan, A.; Sivakumar, K.; Subramanian, K.; Janarthanan, N.; Ramadas, K.; Fun, H.-K.

Symmetrically Substituted Thiourea Derivatives

Acta Crystallographica Section C

1,995

51

11

2446

2450

10.1107/S010827019500607X

0.71073

MoKα

0.1221

0.0676

null

0.2088

0.1775

null

0.933

1.108

null

has coordinates

Ramnathan, A.; Sivakumar, K.; Subramanian, K.; Janarthanan, N.; Ramadas, K.; Fun, H.-K. Symmetrically Substituted Thiourea Derivatives Acta Crystallographica Section C 51(11) (1995) 2446-2450

301,791

2025-08-18

23:15:25

#------------------------------------------------------------------------------ #$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/2/00/40/2004087.cif $ #-------------------------------------------------------------------...

2,004,088

7.949

0.001

9.071

0.002

14.032

0.004

77.58

0.02

77.73

0.02

64.18

0.01

881.3

0.4

298

3

null

6

P -1

-P 1

2

- C9 H24 Cl2 Cu N4 O8 -

- C18 H48 Cl4 Cu2 N8 O16 -

2

1

AS1183

Lu, T.-H.; Liu, Y.-L.; Chung, C.-S.

Diperchlorato[(2RS,5SR,9RS,12RS)-2,5,9,12-tetraazatridecane]copper(II)

Acta Crystallographica Section C

1,995

51

11

2275

2277

10.1107/S0108270195006226

0.71073

MoKα

null

0.034

null

0.036

null

0.98

null

has coordinates

Lu, T.-H.; Liu, Y.-L.; Chung, C.-S. Diperchlorato[(2RS,5SR,9RS,12RS)-2,5,9,12-tetraazatridecane]copper(II) Acta Crystallographica Section C 51(11) (1995) 2275-2277

301,791

2025-08-18

23:15:25

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2,004,089

7.693

0.002

9.178

0.001

22.982

0.004

90

null

116.59

0.02

90

null

1,451

0.5

295

null

295

null

4

P 1 21/c 1

-P 2ybc

14

theophilline p-nitroaniline complex

- C13 H14 N6 O4 -

- C52 H56 N24 O16 -

4

1

AS1190

Zaitu, S.; Miwa, Y.; Taga, T.

1:1 Molecular Complex of Theophylline and p-Nitroaniline

Acta Crystallographica Section C

1,995

51

11

2390

2392

10.1107/S010827019500864X

1.54178

CuKα

null

0.07

null

0.075

null

0.8

null

has coordinates

Zaitu, S.; Miwa, Y.; Taga, T. 1:1 Molecular Complex of Theophylline and p-Nitroaniline Acta Crystallographica Section C 51(11) (1995) 2390-2392

301,791

2025-08-18

23:15:25

#------------------------------------------------------------------------------ #$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/2/00/40/2004089.cif $ #-------------------------------------------------------------------...

2,004,090

11.518

0.001

11.518

0.001

19.966

0.004

90

null

90

null

120

null

2,293.9

0.5

294

null

21

null

6

R -3 :H

-R 3

148

- C12 H36 Fe N3 O15 S6 -

- C12 H36 Fe N3 O18 S6 -

- C36 H108 Fe3 N9 O54 S18 -

3

0.166667

BK1054

Tzou, J.-R.; Mullaney, M.; Norman, R. E.; Chang, S.-C.

Hexakis(dimethyl sulfoxide-O)iron(III) Trinitrate

Acta Crystallographica Section C

1,995

51

11

2249

2252

10.1107/S0108270195005695

0.7107

MoKα

null

0.0435

null

0.054

null

5.165

null

has coordinates

Tzou, J.-R.; Mullaney, M.; Norman, R. E.; Chang, S.-C. Hexakis(dimethyl sulfoxide-O)iron(III) Trinitrate Acta Crystallographica Section C 51(11) (1995) 2249-2252

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/2/00/40/2004090.cif $ #-------------------------------------------------------------------...

2,004,091

7.467

0.002

8.161

0.003

10.717

0.002

80.81

0.02

73.64

0.02

71.71

0.02

593.1

0.3

297

null

5

P -1

-P 1

2

- C6 H14 N4 O6 Zn -

- C12 H28 N8 O12 Zn2 -

2

1

BK1082

Yar, O.; Lessinger, L.

Bis(acetato-O)bis(urea-O)zinc(II), [Zn(H~2~NCONH~2~)~2~(CH~3~COO)~2~]

Acta Crystallographica Section C

1,995

51

11

2282

2285

10.1107/S0108270195006974

0.71069

MoKα

0.0423

0.0319

null

0.0806

null

1.052

null

has coordinates

Yar, O.; Lessinger, L. Bis(acetato-O)bis(urea-O)zinc(II), [Zn(H~2~NCONH~2~)~2~(CH~3~COO)~2~] Acta Crystallographica Section C 51(11) (1995) 2282-2285

301,791

2025-08-18

23:15:25

#------------------------------------------------------------------------------ #$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/2/00/40/2004091.cif $ #-------------------------------------------------------------------...

2,004,092

11.416

0.001

11.749

0.001

14.501

0.001

105.08

0.01

109.83

0.01

95.33

0.01

1,731.1

0.3

293

null

6

P -1

-P 1

2

- C76 H60 Au2 N6 P4 S4 -

1

0.5

BK1099

Assefa, Z.; Staples, R. J.; Fackler, Jnr, J. P.

Bis[bis(triphenylphosphoranylidene)ammonium] Bis[cyanodithiocarbimatogold(I)], [PPN]~2~[Au~2~(S~2~CNCN)~2~]

Acta Crystallographica Section C

1,995

51

11

2271

2273

10.1107/S0108270195004628

0.71073

MoKα

null

0.029

null

0.038

null

1.014

null

has coordinates

Assefa, Z.; Staples, R. J.; Fackler, Jnr, J. P. Bis[bis(triphenylphosphoranylidene)ammonium] Bis[cyanodithiocarbimatogold(I)], [PPN]~2~[Au~2~(S~2~CNCN)~2~] Acta Crystallographica Section C 51(11) (1995) 2271-2273

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/2/00/40/2004092.cif $ #-------------------------------------------------------------------...

2,004,093

7.643

0.001

11.578

0.002

13.117

0.002

69.69

0.05

80.57

0.06

86.87

0.05

1,073.9

0.5

297

null

297

null

5

P -1

-P 1

2

1-Amino-2-nitro-4,5-bis(p-toluenesulfonamido)-benzene

- C20 H20 N4 O6 S2 -

- C40 H40 N8 O12 S4 -

2

1

BK1112

Bolger, J.; Gourdon, A.

1-Amino-2-nitro-4,5-bis(p-toluenesulfonamido)benzene

Acta Crystallographica Section C

1,995

51

11

2395

2397

10.1107/S0108270195006950

0.71069

MoKα

null

0.034

null

0.034

null

2.13

null

has coordinates

Bolger, J.; Gourdon, A. 1-Amino-2-nitro-4,5-bis(p-toluenesulfonamido)benzene Acta Crystallographica Section C 51(11) (1995) 2395-2397

301,791

2025-08-18

23:15:25

#------------------------------------------------------------------------------ #$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/2/00/40/2004093.cif $ #-------------------------------------------------------------------...

2,004,094

5.682

0.002

7.186

0.006

17.775

0.002

90

null

92.75

0.02

90

null

724.9

0.7

294.2

null

294.2

null

4

P 1 21 1

P 2yb

4

- C12 H28 Cl N -

- C24 H56 Cl2 N2 -

2

1

BK1118

Silver, J.; Marsh, P. J.; Frampton, C. S.

n-Dodecylammonium Chloride

Acta Crystallographica Section C

1,995

51

11

2432

2434

10.1107/S0108270195006858

0.7107

MoKα

null

0.035

null

0.0307

null

1.928

null

has coordinates

Silver, J.; Marsh, P. J.; Frampton, C. S. n-Dodecylammonium Chloride Acta Crystallographica Section C 51(11) (1995) 2432-2434

301,791

2025-08-18

23:15:25

#------------------------------------------------------------------------------ #$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/2/00/40/2004094.cif $ #-------------------------------------------------------------------...

2,004,095

8.6495

0.0014

9.857

0.002

12.375

0.003

102.11

0.02

89.77

0.02

104.65

0.02

996.7

0.4

293

null

293

null

4

P -1

-P 1

2

4-methyl-1,2,3,5-diselenadiazolyl

- C4 H6 N4 Se4 -

- C16 H24 N16 Se16 -

4

2

BK1120

Bryan, C. D.; Cordes, A. W.; Oakley, R. T.; von Spence, R. E.

4,4'-Dimethyl-1,1'-bi(1,2,3,5-diselenadiazole)

Acta Crystallographica Section C

1,995

51

11

2402

2404

10.1107/S0108270195006147

0.71073

MoKα

0.133

0.047

null

0.081

0.064

null

0.98

null

has coordinates

Bryan, C. D.; Cordes, A. W.; Oakley, R. T.; von Spence, R. E. 4,4'-Dimethyl-1,1'-bi(1,2,3,5-diselenadiazole) Acta Crystallographica Section C 51(11) (1995) 2402-2404

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/2/00/40/2004095.cif $ #-------------------------------------------------------------------...

2,004,096

8.2444

0.0015

10.7401

0.0013

20.049

0.003

90

null

95.057

0.014

90

null

1,768.3

0.5

294

1

294

1

null

5

P 1 21 1

P 2yb

4

3,3,7,7,10,10-Hexaphenyl-2,4,6,8,9,11-hexaoxa-1,5-diarsa-3,7,10-trisila- bicyclo[3,3,3]undecane

- C36 H30 As2 O6 Si3 -

- C72 H60 As4 O12 Si6 -

2

1

BK1128

Ferguson, G.; O'Leary, B.; Spalding, T. R.

An As~2~Si~3~O~6~ Cage Compound, 3,3,7,7,10,10-Hexaphenyl-2,4,6,8,9,11-hexaoxa-1,5-diarsa-3,7,10-trisilabicyclo[3.3.3]undecane

Acta Crystallographica Section C

1,995

51

11

2312

2315

10.1107/S0108270195006159

0.7107

MolybdenumKα

0.043

0.029

null

0.04

0.038

null

1.06

null

has coordinates

Ferguson, G.; O'Leary, B.; Spalding, T. R. An As~2~Si~3~O~6~ Cage Compound, 3,3,7,7,10,10-Hexaphenyl-2,4,6,8,9,11-hexaoxa-1,5-diarsa-3,7,10-trisilabicyclo[3.3.3]undecane Acta Crystallographica Section C 51(11) (1995) 2312-2315

301,791

2025-08-18

23:15:25

#------------------------------------------------------------------------------ #$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/2/00/40/2004096.cif $ #-------------------------------------------------------------------...

2,004,097

15.163

0.003

28.912

0.008

16.286

0.006

90

null

91.02

0.02

90

null

7,139

4

296

null

5

P 1 21/c 1

-P 2ybc

14

- C72 H84 Fe2 N12 O9 -

- C288 H336 Fe8 N48 O36 -

4

1

BK1130

Schaefer, W. P.; Ellis, P. E.; Lyons, J. E.; Shaikh, S. N.

A μ-Oxo-bis[iron(III) porphyrin] Complex

Acta Crystallographica Section C

1,995

51

11

2252

2255

10.1107/S0108270195005701

0.71073

MoKα

null

0.013

null

1.4

null

has coordinates

Schaefer, W. P.; Ellis, P. E.; Lyons, J. E.; Shaikh, S. N. A μ-Oxo-bis[iron(III) porphyrin] Complex Acta Crystallographica Section C 51(11) (1995) 2252-2255

176,759

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4,322,319

12.463

0.006

19.315

0.003

17.084

0.009

90

null

98.49

0.02

90

null

4,067

3

293

2

293

2

null

7

P 1 21/a 1

-P 2yab

14

- C70 H56 F24 Mn2 N4 O14 P2 -

- C140 H112 F48 Mn4 N8 O28 P4 -

2

0.5

Corinne Rancurel; Daniel B. Leznoff; Jean-Pascal Sutter; Stéphane Golhen; Lahcène Ouahab; Janis Kliava; Olivier Kahn

Synthesis, Structure, and Magnetism of Mono- and Binuclear Manganese(II) Compounds of Nitronyl Nitroxide Substituted Phosphine Oxides

Inorganic Chemistry

1,999

38

4753

4758

10.1021/ic990527g

0.71073

MoKα

0.1706

0.0683

null

0.1775

0.2213

null

1.021

null

has coordinates

Corinne Rancurel; Daniel B. Leznoff; Jean-Pascal Sutter; Stéphane Golhen; Lahcène Ouahab; Janis Kliava; Olivier Kahn Synthesis, Structure, and Magnetism of Mono- and Binuclear Manganese(II) Compounds of Nitronyl Nitroxide Substituted Phosphine Oxides Inorganic Chemistry 38 (1999) 4753-4758

179,326

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2,004,098

8.388

0.002

10.527

0.002

19.73

0.004

90

null

90

null

90

null

1,742.2

0.6

293

2

293

2

null

4

P 21 21 21

P 2ac 2ab

19

N-Benzyl-1-deoxy-1-(hydroxyamino)-2,3-O-diisopropylidene-1- (N-methylimidazol-2-yl)-D-threo-triitol.

- C17 H23 N3 O3 -

- C68 H92 N12 O12 -

4

1

BK1141

Merino, P.; Merchan, F. L.; Tejero, T.

Chiral Hydroxylamines. I. 1-(N-Benzyl-N-hydroxyamino)-1-deoxy-2,3-O-isopropylidene-1-(1-methylimidazol-2-yl)-D-threo-triitol

Acta Crystallographica Section C

1,995

51

11

2400

2401

10.1107/S0108270195006962

0.71073

MoKα

0.0854

0.0467

null

0.1251

0.1027

null

1.029

1.063

null

has coordinates

Merino, P.; Merchan, F. L.; Tejero, T. Chiral Hydroxylamines. I. 1-(N-Benzyl-N-hydroxyamino)-1-deoxy-2,3-O-isopropylidene-1-(1-methylimidazol-2-yl)-D-threo-triitol Acta Crystallographica Section C 51(11) (1995) 2400-2401

301,791

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2,004,099

11.5304

0.0006

12.2492

0.0005

10.2645

0.0006

90

null

91.89

0.01

90

null

1,448.95

0.13

296

null

6

C 1 2/c 1

-C 2yc

15

bis-(5-chloro-2-nitrophenyl)-disulphide

- C12 H6 Cl2 N2 O4 S2 -

- C48 H24 Cl8 N8 O16 S8 -

4

0.5

BK1145

Garcia, J. G.; Haydar, S. N.; Krapcho, A. P.; Fronczek, F. R.

Bis(5-chloro-2-nitrophenyl) Disulfide

Acta Crystallographica Section C

1,995

51

11

2333

2335

10.1107/S0108270195008055

0.71073

MoKα

null

0.033

null

0.044

null

2.173

null

has coordinates

Garcia, J. G.; Haydar, S. N.; Krapcho, A. P.; Fronczek, F. R. Bis(5-chloro-2-nitrophenyl) Disulfide Acta Crystallographica Section C 51(11) (1995) 2333-2335

301,791

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2,004,100

6.658

0.001

11.528

0.002

5.695

0.002

101.47

0.03

95.59

0.02

92.24

0.02

425.58

0.19

295

1

null

5

P -1

-P 1

2

- C6 H6 As N O6 -

- C6 H3 As N O6 -

- C12 H6 As2 N2 O12 -

2

1

BM1011

Nuttall, R. H.; Hunter, W. N.

Redetermination of 4-Hydroxy-3-nitrobenzenearsonic Acid

Acta Crystallographica Section C

1,995

51

11

2342

2344

10.1107/S0108270195007542

1.54184

CuKα

null

0.058

null

0.082

null

1.06

null

has coordinates

Nuttall, R. H.; Hunter, W. N. Redetermination of 4-Hydroxy-3-nitrobenzenearsonic Acid Acta Crystallographica Section C 51(11) (1995) 2342-2344

176,759

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2,004,101

8.568

0.009

9.333

0.004

11.972

0.013

75.52

0.08

69.61

0.07

80.45

0.07

865.6

1.4

200

2

200

2

null

5

P -1

-P 1

2

Tetrakis(μ-acetato-κO:κO')-bis(1,5,9-triazacyclododecane-2,4-dione-N^9^)- dicopper(II)

- C26 H46 Cu2 N6 O12 -

1

0.5

BM1015

Clarke, A. J.; Carmichael, A. J.; Errington, W.; Moore, P.

Tetrakis(μ-acetato-O:O')bis(1,5,9-triazacyclododecane-2,4-dione-N^9^)dicopper(II)(Cu—Cu)

Acta Crystallographica Section C

1,995

51

11

2279

2282

10.1107/S0108270195006512

0.71073

MoKα

0.0524

0.0358

null

0.1257

0.0863

null

1.201

1.068

null

has coordinates

Clarke, A. J.; Carmichael, A. J.; Errington, W.; Moore, P. Tetrakis(μ-acetato-O:O')bis(1,5,9-triazacyclododecane-2,4-dione-N^9^)dicopper(II)(Cu—Cu) Acta Crystallographica Section C 51(11) (1995) 2279-2282

176,759

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2,004,102

7.019

0.001

7.019

0.001

12.925

0.002

90

null

90

null

120

null

551.46

0.14

296

null

296

null

5

P 32 2 1

P 32 2"

154

sodium cerium sulfate monohydrate

- Ce H2 Na O9 S2 -

- Ce H2 Na O10 S2 -

- Ce3 H6 Na3 O30 S6 -

3

0.5

BR1102

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

Redetermination of Sodium Cerium(III) Sulfate Monohydrate, NaCe(SO~4~)~2~.H~2~O

Acta Crystallographica Section C

1,995

51

11

2215

2218

10.1107/S0108270195006135

0.71073

MoKα

null

0.017

null

0.03

null

1.72

null

has coordinates

Blackburn, A. C.; Gerkin, R. E. Redetermination of Sodium Cerium(III) Sulfate Monohydrate, NaCe(SO~4~)~2~.H~2~O Acta Crystallographica Section C 51(11) (1995) 2215-2218

176,435

2020-10-21

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2,004,103

11.991

0.005

20.666

0.002

24.082

0.004

67.616

0.01

77.54

0.02

87.58

0.02

5,383

3

294

1

294

1

null

5

P -1

-P 1

2

fac-Tricarbonyl-tris(triphenyl phospite)molybdenum

- C57 H45 Mo O12 P3 -

- C228 H180 Mo4 O48 P12 -

4

2

CF1001

Alyea, E. C.; Ferguson, G.; Song, S.-Q.

fac-Tricarbonyltris(triphenyl phosphite)molybdenum(0)

Acta Crystallographica Section C

1,995

51

11

2238

2242

10.1107/S0108270195006603

0.7107

MolybdenumKα

0.2479

0.0908

null

0.22

0.1694

null

0.808

1.154

null

has coordinates

Alyea, E. C.; Ferguson, G.; Song, S.-Q. fac-Tricarbonyltris(triphenyl phosphite)molybdenum(0) Acta Crystallographica Section C 51(11) (1995) 2238-2242

176,759

2020-10-21

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2,004,104

4.5232

0.0008

10.5764

0.001

14.8003

0.0014

90

null

90

null

90

null

708.03

0.16

293

2

293

2

null

5

P 21 21 21

P 2ac 2ab

19

2-Bromo-3-deoxy-D-erythro-hex-2-enono-1,5-lactone and 2-Chloro-3-deoxy-D-erythro-hex-2-enono-1,5-lactone

- C6 H7 Br0.34 Cl0.66 O3 -

- C6 H7 Br0.339 Cl0.661 O3 -

- C24 H28 Br1.356 Cl2.644 O12 -

4

1

CF1006

Fun, H.-K.; Sivakumar, K.; Ang, H.-B.; Sam, T.-W.; Gan, E.-K.

A 2:1 Solid Solution of 6-Chloro-2,3,6-trideoxy-D-erythro-hex-2-enono-1,5-lactone and its 6-Bromo Analogue

Acta Crystallographica Section C

1,995

51

11

2450

2453

10.1107/S0108270195006615

0.71073

MoKα

0.0508

0.0347

null

0.0864

0.0821

null

0.938

1.046

null

has coordinates

Fun, H.-K.; Sivakumar, K.; Ang, H.-B.; Sam, T.-W.; Gan, E.-K. A 2:1 Solid Solution of 6-Chloro-2,3,6-trideoxy-D-erythro-hex-2-enono-1,5-lactone and its 6-Bromo Analogue Acta Crystallographica Section C 51(11) (1995) 2450-2453

176,759

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2,004,105

22.031

0.018

14.474

0.018

6.002

0.005

90

null

90.42

0.1

90

null

1,914

3

220

2

220

2

null

5

C 1 c 1

C -2yc

9

3-[3'-(4-bromophenyl)-1'-phenylpyrazol-5'-yl] 2H-1-benzopyran-2-one

- C24 H15 Br N2 O2 -

- C96 H60 Br4 N8 O8 -

4

1

CF1011

Singh, S. K.; Kumar, N.; Malhotra, S.; Bisht, K. S.; Parmar, V. S.; Errington, W.

3-[3-(4-Bromophenyl)-1-phenylpyrazol-5-yl]-2H-1-benzopyran-2-one

Acta Crystallographica Section C

1,995

51

11

2406

2407

10.1107/S0108270195007438

0.71073

MoKα

0.0832

null

0.1623

null

1.062

null

has coordinates

Singh, S. K.; Kumar, N.; Malhotra, S.; Bisht, K. S.; Parmar, V. S.; Errington, W. 3-[3-(4-Bromophenyl)-1-phenylpyrazol-5-yl]-2H-1-benzopyran-2-one Acta Crystallographica Section C 51(11) (1995) 2406-2407

301,791

2025-08-18

23:15:25

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2,004,106

30.061

0.014

7.218

0.004

14.283

0.008

90

null

103.26

0.04

90

null

3,017

3

293

2

293

2

null

3

P 1 21/c 1

-P 2ybc

14

1-phenyl-3-(4-methylphenyl)-5-cyanomethylpyrazole

- C18 H15 N3 -

- C144 H120 N24 -

8

2

CF1012

Singh, S. K.; Kumar, A.; Vats, A.; Bisht, K. S.; Parmar, V. S.; Errington, W.

5-Cyanomethyl-3-(4-methylphenyl)-1-phenylpyrazole

Acta Crystallographica Section C

1,995

51

11

2404

2406

10.1107/S0108270195007773

0.71073

MoKα

0.1053

null

0.194

null

1.035

null

has coordinates

Singh, S. K.; Kumar, A.; Vats, A.; Bisht, K. S.; Parmar, V. S.; Errington, W. 5-Cyanomethyl-3-(4-methylphenyl)-1-phenylpyrazole Acta Crystallographica Section C 51(11) (1995) 2404-2406

301,791

2025-08-18

23:15:25

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2,004,107

25.585

0.0014

11.841

0.002

8.012

0.003

90

null

104.03

0.02

90

null

2,354.8

1

293

2

293

2

null

5

C 1 2/c 1

-C 2yc

15

9-(carboxymethyl)-2,6-dichloropurine ethyl ester

- C9 H8 Cl2 N4 O2 -

- C72 H64 Cl16 N32 O16 -

8

1

CF1024

Chan, D. M. C.; Schwalbe, C. H.; Sood, G.; Fraser, W.

9-(Carboxymethyl)-2,6-dichloropurine Ethyl Ester. An Intermediate for Peptidic Nucleic Acid Synthesis

Acta Crystallographica Section C

1,995

51

11

2383

2386

10.1107/S0108270195008705

0.71069

MoKα

0.0682

0.0353

null

0.1064

0.0906

null

1.015

1.048

null

has coordinates

Chan, D. M. C.; Schwalbe, C. H.; Sood, G.; Fraser, W. 9-(Carboxymethyl)-2,6-dichloropurine Ethyl Ester. An Intermediate for Peptidic Nucleic Acid Synthesis Acta Crystallographica Section C 51(11) (1995) 2383-2386

301,791

2025-08-18

23:15:25

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4,322,318

10.6672

0.0019

13.27

0.006

15.363

0.003

93.84

0.02

108.054

0.016

105.69

0.03

1,963.4

1.1

293

2

293

2

null

7

P -1

-P 1

2

- C35 H28 F12 Mn N2 O7 P -

- C70 H56 F24 Mn2 N4 O14 P2 -

2

1

Corinne Rancurel; Daniel B. Leznoff; Jean-Pascal Sutter; Stéphane Golhen; Lahcène Ouahab; Janis Kliava; Olivier Kahn

Synthesis, Structure, and Magnetism of Mono- and Binuclear Manganese(II) Compounds of Nitronyl Nitroxide Substituted Phosphine Oxides

Inorganic Chemistry

1,999

38

4753

4758

10.1021/ic990527g

0.71073

MoKα

0.1634

0.0697

null

0.192

0.2342

null

1.041

null

has coordinates

Corinne Rancurel; Daniel B. Leznoff; Jean-Pascal Sutter; Stéphane Golhen; Lahcène Ouahab; Janis Kliava; Olivier Kahn Synthesis, Structure, and Magnetism of Mono- and Binuclear Manganese(II) Compounds of Nitronyl Nitroxide Substituted Phosphine Oxides Inorganic Chemistry 38 (1999) 4753-4758

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2,004,108

17.411

0.002

15.756

0.002

10.593

0.001

90

null

107.19

0.01

90

null

2,776.1

0.6

300

null

4

P 1 21/n 1

-P 2yn

14

- C35 H32 Co P -

- C140 H128 Co4 P4 -

4

1

CR1111

Fujita, T.; Uekusa, H.; Ohkubo, A.; Shimura, T.; Aramaki, K.; Nishihara, H.; Ohba, S.

Two Cobaltacyclopentadiene Complexes and One Cyclobutadiene Complex

Acta Crystallographica Section C

1,995

51

11

2265

2269

10.1107/S0108270195005993

0.71073

MoKα

null

0.036

null

0.041

null

1.56

null

has coordinates

Fujita, T.; Uekusa, H.; Ohkubo, A.; Shimura, T.; Aramaki, K.; Nishihara, H.; Ohba, S. Two Cobaltacyclopentadiene Complexes and One Cyclobutadiene Complex Acta Crystallographica Section C 51(11) (1995) 2265-2269

176,435

2020-10-21

18:00:00

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2,004,109

15.31

0.002

22.997

0.003

11.928

0.001

90

null

103.35

0.01

90

null

4,086.2

0.8

297

null

4

P 1 21/c 1

-P 2ybc

14

- C55 H40 Co P -

- C220 H160 Co4 P4 -

4

1

CR1111

Fujita, T.; Uekusa, H.; Ohkubo, A.; Shimura, T.; Aramaki, K.; Nishihara, H.; Ohba, S.

Two Cobaltacyclopentadiene Complexes and One Cyclobutadiene Complex

Acta Crystallographica Section C

1,995

51

11

2265

2269

10.1107/S0108270195005993

0.71073

MoKα

null

0.065

null

0.059

null

1.82

null

has coordinates

Fujita, T.; Uekusa, H.; Ohkubo, A.; Shimura, T.; Aramaki, K.; Nishihara, H.; Ohba, S. Two Cobaltacyclopentadiene Complexes and One Cyclobutadiene Complex Acta Crystallographica Section C 51(11) (1995) 2265-2269

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/2/00/41/2004109.cif $ #-------------------------------------------------------------------...

2,004,110

16.459

0.004

28.668

0.004

10.269

0.003

90

null

100.54

0.02

90

null

4,764

2

300

null

4

P 1 21/c 1

-P 2ybc

14

- C49 H57 Co Si4 -

- C196 H228 Co4 Si16 -

4

1

CR1111

Fujita, T.; Uekusa, H.; Ohkubo, A.; Shimura, T.; Aramaki, K.; Nishihara, H.; Ohba, S.

Two Cobaltacyclopentadiene Complexes and One Cyclobutadiene Complex

Acta Crystallographica Section C

1,995

51

11

2265

2269

10.1107/S0108270195005993

0.71073

MoKα

null

0.06

null

0.083

null

2.64

null

has coordinates

Fujita, T.; Uekusa, H.; Ohkubo, A.; Shimura, T.; Aramaki, K.; Nishihara, H.; Ohba, S. Two Cobaltacyclopentadiene Complexes and One Cyclobutadiene Complex Acta Crystallographica Section C 51(11) (1995) 2265-2269

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/2/00/41/2004110.cif $ #-------------------------------------------------------------------...

2,004,111

6.86

0.008

18.938

0.002

16.224

0.004

90

null

92.78

0.07

90

null

2,105

3

296

null

7

P 1 21/c 1

-P 2ybc

14

- C34 H50 N2 Ni O4 P2 S4 -

- C36 H52 N2 Ni O4 P2 S4 -

- C72 H104 N4 Ni2 O8 P4 S8 -

2

0.5

CR1171

Xiong, R.-G.; You, X.-Z.; Huang, X.-Y.

The Adduct of Bis(O,O'-dibutyl dithiophosphato)nickel(II) with Isoquinoline

Acta Crystallographica Section C

1,995

51

11

2263

2265

10.1107/S0108270195006019

0.71069

MoKα

null

0.049

null

0.058

null

1.27

null

has coordinates

Xiong, R.-G.; You, X.-Z.; Huang, X.-Y. The Adduct of Bis(O,O'-dibutyl dithiophosphato)nickel(II) with Isoquinoline Acta Crystallographica Section C 51(11) (1995) 2263-2265

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/2/00/41/2004111.cif $ #-------------------------------------------------------------------...

2,004,112

13.758

0.005

5.391

0.001

16.844

0.004

90

null

93

0.03

90

null

1,247.6

0.6

296

null

2

C 1 2/c 1

-C 2yc

15

- C18 H16 -

- C72 H64 -

4

0.5

CR1180

Schaefer, W. P.; Abulū, J.

An Indanyl Precursor to a Chiral Spiro Compound

Acta Crystallographica Section C

1,995

51

11

2364

2366

10.1107/S0108270195005609

0.71073

MoKα

null

2.95

null

has coordinates

Schaefer, W. P.; Abulū, J. An Indanyl Precursor to a Chiral Spiro Compound Acta Crystallographica Section C 51(11) (1995) 2364-2366

301,791

2025-08-18

23:15:25

#------------------------------------------------------------------------------ #$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/2/00/41/2004112.cif $ #-------------------------------------------------------------------...