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

2,003,115

6.2475

0.0002

29.3825

0.0006

4.6305

0.0001

90

null

100.904

0.002

90

null

834.66

0.04

null

293

2

null

5

A 1 n 1

A -2yab

9

- C3 H12 N O4 P -

- C12 H48 N4 O16 P4 -

4

1

SH0104

Antonia Neels; Helen Stoeckli-Evans; Jochen Neels; Abraham Clearfield; Damodara Poojary

Ab Initio Structure Determination of Ammonium Hydrogen Alkyl Phosphates from X-ray Powder Diffraction Data

Acta Crystallographica Section B

1,998

54

4

478

484

10.1107/S0108768197015589

1.5406

null

has coordinates

Antonia Neels; Helen Stoeckli-Evans; Jochen Neels; Abraham Clearfield; Damodara Poojary Ab Initio Structure Determination of Ammonium Hydrogen Alkyl Phosphates from X-ray Powder Diffraction Data Acta Crystallographica Section B 54(4) (1998) 478-484

301,791

2025-08-18

23:15:22

#------------------------------------------------------------------------------ #$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/2/00/31/2003115.cif $ #-------------------------------------------------------------------...

2,003,116

3.6097

0.0004

18.632

0.002

7.289

0.001

90

null

90

null

90

null

490.23

0.1

293

2

293

2

null

3

A m m 2

A 2 -2

38

- C19 Er10 Ru10 -

1

0.125

SH0107

Hoffmann, R.-D.; Jeitschko, W.

The Carbides Ln~10~Ru~10~C~19~ (Ln = Y, Gd-Lu): Crystal Structure of their Subcells and the Superstructures of Er~10~Ru~10~C~19~

Acta Crystallographica Section B

1,998

54

6

834

850

10.1107/S0108768198004984

0.71073

MoKα

0.0652

0.0501

null

0.133

0.0682

null

3.614

3.746

null

has coordinates

Hoffmann, R.-D.; Jeitschko, W. The Carbides Ln~10~Ru~10~C~19~ (Ln = Y, Gd-Lu): Crystal Structure of their Subcells and the Superstructures of Er~10~Ru~10~C~19~ Acta Crystallographica Section B 54(6) (1998) 834-850

175,462

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-03 11:15:54 +0200 (Wed, 03 Feb 2016) $ #$Revision: 175462 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/31/2003116.cif $ #-------------------------------------------------------------------...

4,322,419

11.9472

0.0009

14.3651

0.0007

19.556

0.001

87.049

0.005

73.181

0.006

70.613

0.005

3,026.8

0.3

173

null

173

null

6

P -1

-P 1

2

- C63 H40 Br4 Cl5 N10 Ni -

- C67 H40 Br4 Cl5 N10 Ni -

- C134 H80 Br8 Cl10 N20 Ni2 -

2

1

Hugues Duval; Véronique Bulach; Jean Fischer; Raymond Weiss

Four-Coordinate, Low-Spin (S= 0) and Six-Coordinate, High-Spin (S= 1) Nickel(II) Complexes of Tetraphenylporphyrins with β-Pyrrole Electron-Withdrawing Substituents: Porphyrin-Core Expansion and Conformation

Inorganic Chemistry

1,999

38

5495

5501

10.1021/ic990231a

0.71073

Mo-Kα

0.137

0.036

null

0.16

null

0.041

null

4.387

null

1.051

null

has coordinates

Hugues Duval; Véronique Bulach; Jean Fischer; Raymond Weiss Four-Coordinate, Low-Spin (S= 0) and Six-Coordinate, High-Spin (S= 1) Nickel(II) Complexes of Tetraphenylporphyrins with β-Pyrrole Electron-Withdrawing Substituents: Porphyrin-Core Expansion and Conformation Inorganic Chemistry 38 (1999) 5495-5501

179,327

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:25:49 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179327 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/24/4322419.cif $ #-------------------------------------------------------------------...

2,003,117

3.6097

0.0004

18.632

0.002

7.289

0.001

90

null

90

null

90

null

490.23

0.1

293

2

293

2

null

3

A m m 2

A 2 -2

38

- C19 Er10 Ru10 -

1

0.125

SH0107

Hoffmann, R.-D.; Jeitschko, W.

The Carbides Ln~10~Ru~10~C~19~ (Ln = Y, Gd-Lu): Crystal Structure of their Subcells and the Superstructures of Er~10~Ru~10~C~19~

Acta Crystallographica Section B

1,998

54

6

834

850

10.1107/S0108768198004984

0.71073

MoKα

0.0427

0.031

null

0.0632

0.0606

null

1.287

1.28

null

has coordinates

Hoffmann, R.-D.; Jeitschko, W. The Carbides Ln~10~Ru~10~C~19~ (Ln = Y, Gd-Lu): Crystal Structure of their Subcells and the Superstructures of Er~10~Ru~10~C~19~ Acta Crystallographica Section B 54(6) (1998) 834-850

277,834

2022-09-14

16:39:43

#------------------------------------------------------------------------------ #$Date: 2022-09-14 19:38:48 +0300 (Wed, 14 Sep 2022) $ #$Revision: 277834 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/31/2003117.cif $ #-------------------------------------------------------------------...

2,003,118

14.578

0.002

7.2194

0.0008

10.004

0.002

90

null

111.36

0.05

90

null

980.5

0.3

293

2

293

2

null

3

C 1 m 1

C -2y

8

B-Er10Ru10C19

- C19 Er10 Ru10 -

- C38 Er20 Ru20 -

2

0.5

SH0107

Hoffmann, R.-D.; Jeitschko, W.

The Carbides Ln~10~Ru~10~C~19~ (Ln = Y, Gd-Lu): Crystal Structure of their Subcells and the Superstructures of Er~10~Ru~10~C~19~

Acta Crystallographica Section B

1,998

54

6

834

850

10.1107/S0108768198004984

0.71073

MoKα

0.0844

0.0604

null

0.162

0.144

null

1.049

1.053

null

has coordinates

Hoffmann, R.-D.; Jeitschko, W. The Carbides Ln~10~Ru~10~C~19~ (Ln = Y, Gd-Lu): Crystal Structure of their Subcells and the Superstructures of Er~10~Ru~10~C~19~ Acta Crystallographica Section B 54(6) (1998) 834-850

176,428

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176428 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/31/2003118.cif $ #-------------------------------------------------------------------...

2,003,119

37.264

0.004

7.219

0.002

14.578

0.002

90

null

90

null

90

null

3,921.6

1.3

293

2

293

2

null

3

A m m 2

A 2 -2

38

- C19 Er10 Ru10 -

- C19.5695 Er10.3 Ru10.206 -

- C156.556 Er82.4 Ru81.648 -

8

1

SH0107

Hoffmann, R.-D.; Jeitschko, W.

The Carbides Ln~10~Ru~10~C~19~ (Ln = Y, Gd-Lu): Crystal Structure of their Subcells and the Superstructures of Er~10~Ru~10~C~19~

Acta Crystallographica Section B

1,998

54

6

834

850

10.1107/S0108768198004984

0.71073

MoKα

0.1218

0.0745

null

0.0285

0.0271

null

4.819

5.992

null

has coordinates,has disorder

Hoffmann, R.-D.; Jeitschko, W. The Carbides Ln~10~Ru~10~C~19~ (Ln = Y, Gd-Lu): Crystal Structure of their Subcells and the Superstructures of Er~10~Ru~10~C~19~ Acta Crystallographica Section B 54(6) (1998) 834-850

277,834

2022-09-14

16:39:43

#------------------------------------------------------------------------------ #$Date: 2022-09-14 19:38:48 +0300 (Wed, 14 Sep 2022) $ #$Revision: 277834 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/31/2003119.cif $ #-------------------------------------------------------------------...

2,003,120

7.348

0.001

7.348

0.001

7.274

0.008

90

null

90

null

120

null

340.1

0.4

291

null

291

null

3

R -3 :H

-R 3

148

potassium hexafluoroarsenate

- As F6 K -

- As3 F18 K3 -

3

0.166667

SH0109

Peterková, J.; Dusek, M.; Petrícek, V.; Loub, J.

Structures of Fluoroarsenates KAsF~6n~(OH)~n~, n = 0, 1, 2: Application of the Heavy-Atom Method for Modulated Structures

Acta Crystallographica Section B

1,998

54

6

809

818

10.1107/S0108768198006351

0.5609

AgKα

0.024

null

0.031

null

1.82

null

has coordinates

Peterková, J.; Dusek, M.; Petrícek, V.; Loub, J. Structures of Fluoroarsenates KAsF~6n~(OH)~n~, n = 0, 1, 2: Application of the Heavy-Atom Method for Modulated Structures Acta Crystallographica Section B 54(6) (1998) 809-818

198,391

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-07-04 19:53:27 +0300 (Tue, 04 Jul 2017) $ #$Revision: 198391 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/31/2003120.cif $ #-------------------------------------------------------------------...

2,003,121

9.391

0.002

11.336

0.003

28.173

0.008

90

null

90

null

90

null

2,999.2

1.3

291

null

291

null

5

P n a b

-P 2bc 2n

60

potassium hydroxopentafluoroarsenate

- As F5 H K O -

- As24 F120 H24 K24 O24 -

24

3

SH0109

Peterková, J.; Dusek, M.; Petrícek, V.; Loub, J.

Structures of Fluoroarsenates KAsF~6n~(OH)~n~, n = 0, 1, 2: Application of the Heavy-Atom Method for Modulated Structures

Acta Crystallographica Section B

1,998

54

6

809

818

10.1107/S0108768198006351

0.5609

AgKα

0.08

0.047

null

0.085

0.077

null

1.55

null

has coordinates

Peterková, J.; Dusek, M.; Petrícek, V.; Loub, J. Structures of Fluoroarsenates KAsF~6n~(OH)~n~, n = 0, 1, 2: Application of the Heavy-Atom Method for Modulated Structures Acta Crystallographica Section B 54(6) (1998) 809-818

176,432

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176432 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/31/2003121.cif $ #-------------------------------------------------------------------...

2,003,122

4.818

0.001

16.001

0.004

6.374

0.002

90

null

99.36

0.02

90

null

484.8

0.2

null

5

C 1 2/c 1

-C 2yc

null

- As F4 H2 K O2 -

- As4 F16 H8 K4 O8 -

4

0.5

SH0109

Peterková, J.; Dusek, M.; Petrícek, V.; Loub, J.

Structures of Fluoroarsenates KAsF~6n~(OH)~n~, n = 0, 1, 2: Application of the Heavy-Atom Method for Modulated Structures

Acta Crystallographica Section B

1,998

54

6

809

818

10.1107/S0108768198006351

0.5609

AgKα

null

has coordinates

Peterková, J.; Dusek, M.; Petrícek, V.; Loub, J. Structures of Fluoroarsenates KAsF~6n~(OH)~n~, n = 0, 1, 2: Application of the Heavy-Atom Method for Modulated Structures Acta Crystallographica Section B 54(6) (1998) 809-818

189,208

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-12-19 00:21:11 +0200 (Mon, 19 Dec 2016) $ #$Revision: 189208 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/31/2003122.cif $ #-------------------------------------------------------------------...

2,003,123

18.489

0.002

18.959

0.002

6.519

0.001

90

null

90.611

0.013

90

null

2,284.8

0.5

293

2

null

5

F 1 d 1

null

- Al2 Ca H6 O13 Si3 -

- Al16 Ca8 H48 O104 Si24 -

8

null

Kuntzinger, Sandrine; Ghermani, Nour Eddine; Dusausoy, Yves; Lecomte, Claude

Distribution and Topology of the Electron Density in an Aluminosilicate Compound From High Resolution X-Ray Diffraction Data : The Case of Scolecite

Acta Crystallographica, Section B

1,998

54

819

833

0.5609

AgKα

null

0.0265

null

0.0237

null

0.85

null

has coordinates

Kuntzinger, Sandrine; Ghermani, Nour Eddine; Dusausoy, Yves; Lecomte, Claude Distribution and Topology of the Electron Density in an Aluminosilicate Compound From High Resolution X-Ray Diffraction Data : The Case of Scolecite Acta Crystallographica, Section B 54 (1998) 819-833

277,835

2022-09-14

16:54:50

#------------------------------------------------------------------------------ #$Date: 2022-09-14 19:54:36 +0300 (Wed, 14 Sep 2022) $ #$Revision: 277835 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/31/2003123.cif $ #-------------------------------------------------------------------...

2,003,124

5.5887

0.0005

7.7619

0.0005

5.4489

0.0005

90

0.007

90

0.007

90

0.007

236.37

0.03

293

null

293

null

3

P n m a

-P 2ac 2n

62

- Fe Nd O3 -

- Fe4 Nd4 O12 -

4

0.5

SH0113

Streltsov, V. A.; Ishizawa, N.

Synchrotron X-ray study of the electron density in RFeO~3~ (R = Nd, Dy)

Acta Crystallographica Section B

1,999

55

1

7

10.1107/S0108768198005400

0.84

xray_vertical_wiggler

0.03

0.029

null

0.033

null

2.491

2.509

null

has coordinates,has Fobs

Streltsov, V. A.; Ishizawa, N. Synchrotron X-ray study of the electron density in RFeO~3~ (R = Nd, Dy) Acta Crystallographica Section B 55(1) (1999) 1-7

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/2/00/31/2003124.cif $ #-------------------------------------------------------------------...

2,003,125

5.5957

0.0008

7.629

0.0009

5.3009

0.0011

90

0.012

90

0.012

90

0.012

226.29

0.06

293

null

293

null

3

P n m a

-P 2ac 2n

62

- Dy Fe O3 -

- Dy4 Fe4 O12 -

4

0.5

SH0113

Streltsov, V. A.; Ishizawa, N.

Synchrotron X-ray study of the electron density in RFeO~3~ (R = Nd, Dy)

Acta Crystallographica Section B

1,999

55

1

7

10.1107/S0108768198005400

0.84

xray_vertical_wiggler

0.038

null

0.04

null

3.263

null

has coordinates,has Fobs

Streltsov, V. A.; Ishizawa, N. Synchrotron X-ray study of the electron density in RFeO~3~ (R = Nd, Dy) Acta Crystallographica Section B 55(1) (1999) 1-7

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/2/00/31/2003125.cif $ #-------------------------------------------------------------------...

2,003,126

3.999

0.001

3.999

0.001

4.12

0.001

90

null

90

null

90

null

65.89

null

10

null

4

P 4 m m

P 4 -2

99

lead hafnate titanate

- Hf0.4 O3 Pb Ti0.6 -

- Hf0.42 O3 Pb Ti0.58 -

1

0.125

Christophe Muller; Jean-Louis Baudour; Véronique Madigou; Françoise Bouree; Jean-Michel Kiat; Claude Favotto; Marc Roubin

Temperature–Dependent Neutron Powder Diffraction Evidence for Splitting of the Cationic Sites in the Ferroelectric PbHf~0.4~Ti~0.6~O~3~

Acta Crystallographica, Section B

1,999

55

8

16

neutron

1.227

neutron

null

3.73

null

1,009,025

null

has coordinates

Christophe Muller; Jean-Louis Baudour; Véronique Madigou; Françoise Bouree; Jean-Michel Kiat; Claude Favotto; Marc Roubin Temperature–Dependent Neutron Powder Diffraction Evidence for Splitting of the Cationic Sites in the Ferroelectric PbHf~0.4~Ti~0.6~O~3~ Acta Crystallographica, Section B 55 (1999) 8-16

287,519

2023-11-10

19:29:21

#------------------------------------------------------------------------------ #$Date: 2023-11-10 21:21:08 +0200 (Fri, 10 Nov 2023) $ #$Revision: 287519 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/31/2003126.cif $ #-------------------------------------------------------------------...

4,322,418

13.741

0.001

14.029

0.002

15.201

0.002

89.037

0.009

70.829

0.008

67.607

0.008

2,539.4

0.6

294

null

294

null

6

P -1

-P 1

2

- C53 H30 Br4 Cl5 N8 Ni -

- C57 H30 Br4 Cl5 N8 Ni -

- C114 H60 Br8 Cl10 N16 Ni2 -

2

1

Hugues Duval; Véronique Bulach; Jean Fischer; Raymond Weiss

Four-Coordinate, Low-Spin (S= 0) and Six-Coordinate, High-Spin (S= 1) Nickel(II) Complexes of Tetraphenylporphyrins with β-Pyrrole Electron-Withdrawing Substituents: Porphyrin-Core Expansion and Conformation

Inorganic Chemistry

1,999

38

5495

5501

10.1021/ic990231a

0.71073

Mo-Kα

0.15

0.048

null

0.201

null

0.064

null

4.193

null

1.197

null

has coordinates

Hugues Duval; Véronique Bulach; Jean Fischer; Raymond Weiss Four-Coordinate, Low-Spin (S= 0) and Six-Coordinate, High-Spin (S= 1) Nickel(II) Complexes of Tetraphenylporphyrins with β-Pyrrole Electron-Withdrawing Substituents: Porphyrin-Core Expansion and Conformation Inorganic Chemistry 38 (1999) 5495-5501

179,327

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:25:49 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179327 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/24/4322418.cif $ #-------------------------------------------------------------------...

2,003,127

4.012

0.001

4.012

0.001

4.1

0.001

90

null

90

null

90

null

65.99

null

300

null

4

P 4 m m

P 4 -2

99

lead hafnate titanate

- Hf0.4 O3 Pb Ti0.6 -

- Hf0.42 O3 Pb Ti0.58 -

1

0.125

Christophe Muller; Jean-Louis Baudour; Véronique Madigou; Françoise Bouree; Jean-Michel Kiat; Claude Favotto; Marc Roubin

Temperature–Dependent Neutron Powder Diffraction Evidence for Splitting of the Cationic Sites in the Ferroelectric PbHf~0.4~Ti~0.6~O~3~

Acta Crystallographica, Section B

1,999

55

8

16

neutron

1.227

neutron

null

4.05

null

1,009,026

null

has coordinates

Christophe Muller; Jean-Louis Baudour; Véronique Madigou; Françoise Bouree; Jean-Michel Kiat; Claude Favotto; Marc Roubin Temperature–Dependent Neutron Powder Diffraction Evidence for Splitting of the Cationic Sites in the Ferroelectric PbHf~0.4~Ti~0.6~O~3~ Acta Crystallographica, Section B 55 (1999) 8-16

287,519

2023-11-10

19:29:21

#------------------------------------------------------------------------------ #$Date: 2023-11-10 21:21:08 +0200 (Fri, 10 Nov 2023) $ #$Revision: 287519 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/31/2003127.cif $ #-------------------------------------------------------------------...

2,003,128

4.046

0.001

4.046

0.001

4.046

0.001

90

null

90

null

90

null

66.23

null

720

null

4

P m -3 m

-P 4 2 3

221

lead hafnate titanate

- Hf0.4 O3 Pb Ti0.6 -

- Hf0.42 O3 Pb Ti0.582 -

1

0.020833

Christophe Muller; Jean-Louis Baudour; Véronique Madigou; Françoise Bouree; Jean-Michel Kiat; Claude Favotto; Marc Roubin

Temperature–Dependent Neutron Powder Diffraction Evidence for Splitting of the Cationic Sites in the Ferroelectric PbHf~0.4~Ti~0.6~O~3~

Acta Crystallographica, Section B

1,999

55

8

16

neutron

1.227

neutron

null

1.05

null

1,009,027

null

has coordinates

Christophe Muller; Jean-Louis Baudour; Véronique Madigou; Françoise Bouree; Jean-Michel Kiat; Claude Favotto; Marc Roubin Temperature–Dependent Neutron Powder Diffraction Evidence for Splitting of the Cationic Sites in the Ferroelectric PbHf~0.4~Ti~0.6~O~3~ Acta Crystallographica, Section B 55 (1999) 8-16

287,519

2023-11-10

19:29:21

#------------------------------------------------------------------------------ #$Date: 2023-11-10 21:21:08 +0200 (Fri, 10 Nov 2023) $ #$Revision: 287519 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/31/2003128.cif $ #-------------------------------------------------------------------...

2,003,129

9.462

0.001

8.392

0.001

5.221

0.001

90

null

110.18

0.01

90

null

389.12

0.1

293

null

4

C 1 2/c 1

-C 2yc

15

- Al Li O6 Si2 -

- Al4 Li4 O24 Si8 -

4

0.5

SH0121

Kuntzinger, Sandrine; Ghermani, Nour Eddine

Electron density distribution and Madelung potential in α-spodumene, LiAl(SiO~3~)~2~, from two-wavelength high-resolution X-ray diffraction data

Acta Crystallographica Section B

1,999

55

3

273

284

10.1107/S0108768198013536

0.7107

MoKα

null

0.0137

null

0.0145

null

0.97

null

has coordinates,has Fobs

Kuntzinger, Sandrine; Ghermani, Nour Eddine Electron density distribution and Madelung potential in α-spodumene, LiAl(SiO~3~)~2~, from two-wavelength high-resolution X-ray diffraction data Acta Crystallographica Section B 55(3) (1999) 273-284

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/2/00/31/2003129.cif $ #-------------------------------------------------------------------...

4,322,417

26.804

0.003

10.948

0.001

19.459

0.002

90

null

113.13

0.02

90

null

5,251.2

1.2

294

null

294

null

5

C 1 2/c 1

-C 2yc

15

- C58 H40 Cl4 N12 Ni -

- C58 H40 Cl4 N12 Ni0.5 -

- C232 H160 Cl16 N48 Ni2 -

4

0.5

Hugues Duval; Véronique Bulach; Jean Fischer; Raymond Weiss

Four-Coordinate, Low-Spin (S= 0) and Six-Coordinate, High-Spin (S= 1) Nickel(II) Complexes of Tetraphenylporphyrins with β-Pyrrole Electron-Withdrawing Substituents: Porphyrin-Core Expansion and Conformation

Inorganic Chemistry

1,999

38

5495

5501

10.1021/ic990231a

0.71073

Mo-Kα

0.127

0.047

null

0.189

null

0.067

null

3.664

null

1.246

null

has coordinates

Hugues Duval; Véronique Bulach; Jean Fischer; Raymond Weiss Four-Coordinate, Low-Spin (S= 0) and Six-Coordinate, High-Spin (S= 1) Nickel(II) Complexes of Tetraphenylporphyrins with β-Pyrrole Electron-Withdrawing Substituents: Porphyrin-Core Expansion and Conformation Inorganic Chemistry 38 (1999) 5495-5501

176,467

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $ #$Revision: 176467 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/24/4322417.cif $ #-------------------------------------------------------------------...

2,003,130

9.456

0.001

8.386

0.001

5.216

0.001

90

null

110.13

0.01

90

null

388.35

0.1

293

null

4

C 1 2/c 1

-C 2yc

15

- Al Li O6 Si2 -

- Al4 Li4 O24 Si8 -

4

0.5

SH0121

Kuntzinger, Sandrine; Ghermani, Nour Eddine

Electron density distribution and Madelung potential in α-spodumene, LiAl(SiO~3~)~2~, from two-wavelength high-resolution X-ray diffraction data

Acta Crystallographica Section B

1,999

55

3

273

284

10.1107/S0108768198013536

0.5608

AgKα

null

0.0155

null

0.0151

null

0.84

null

has coordinates,has Fobs

Kuntzinger, Sandrine; Ghermani, Nour Eddine Electron density distribution and Madelung potential in α-spodumene, LiAl(SiO~3~)~2~, from two-wavelength high-resolution X-ray diffraction data Acta Crystallographica Section B 55(3) (1999) 273-284

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/2/00/31/2003130.cif $ #-------------------------------------------------------------------...

2,003,131

5.79095

0.00008

5.8221

0.00007

8.20358

0.00012

90

null

90.1262

0.0011

90

null

276.59

null

295

null

4

P 1 21/n 1

-P 2yn

14

- Nb0.5 O3 Sr Yb0.5 -

- Nb O6 Sr2 Yb -

- Nb2 O12 Sr4 Yb2 -

2

0.5

SH0123

Yang, Jae Ho; Choo, Woong Kil; Lee, Jin Ho; Lee, Chang Hee

The Crystal Structure of B-site Ordered Complex Perovskite SrYb~0.5~Nb~0.5~O~3~

Acta Crystallographica, Section B

1,999

55

2

348

354

10.1107/S0108768198018333

x-ray

1.54056

CuKα

null

3.28

null

has coordinates

Yang, Jae Ho; Choo, Woong Kil; Lee, Jin Ho; Lee, Chang Hee The Crystal Structure of B-site Ordered Complex Perovskite SrYb~0.5~Nb~0.5~O~3~ Acta Crystallographica, Section B 55(2) (1999) 348-354

188,497

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-11-16 04:12:40 +0200 (Wed, 16 Nov 2016) $ #$Revision: 188497 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/31/2003131.cif $ #-------------------------------------------------------------------...

2,003,132

5.79095

null

5.8221

null

8.20358

null

90

null

90.1262

null

90

null

276.59

null

295

null

4

P 1 21/n 1

-P 2yn

14

- Nb0.5 O3 Sr Yb0.5 -

- Nb O6 Sr2 Yb -

- Nb2 O12 Sr4 Yb2 -

2

0.5

SH0123

Yang, Jae Ho; Choo, Woong Kil; Lee, Jin Ho; Lee, Chang Hee

The Crystal Structure of B-site Ordered Complex Perovskite SrYb~0.5~Nb~0.5~O~3~

Acta Crystallographica, Section B

1,999

55

2

348

354

10.1107/S0108768198018333

neutron

1.8339

null

1.7005

null

has coordinates

Yang, Jae Ho; Choo, Woong Kil; Lee, Jin Ho; Lee, Chang Hee The Crystal Structure of B-site Ordered Complex Perovskite SrYb~0.5~Nb~0.5~O~3~ Acta Crystallographica, Section B 55(2) (1999) 348-354

188,497

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-11-16 04:12:40 +0200 (Wed, 16 Nov 2016) $ #$Revision: 188497 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/31/2003132.cif $ #-------------------------------------------------------------------...

2,003,133

9.094

0.008

18.143

0.004

12.902

0.003

90

null

106.13

0.04

90

null

2,045

2

173

1

173

1

null

5

P 1 21/n 1

-P 2yn

14

2-chloropyridinium trichloromercurate(II)

- C5 H5 Cl4 Hg N -

- C40 H40 Cl32 Hg8 N8 -

8

2

SH0124

Linden, Anthony; James, Bruce D.; Liesegang, John; Gonis, Nick

Polynuclear chloromercurate(II) systems in their chloropyridinium salts

Acta Crystallographica Section B

1,999

55

3

396

409

10.1107/S010876819801550X

0.71069

MoKα

0.1002

0.0437

null

0.0392

null

0.0358

null

1.684

null

has coordinates,has Fobs

Linden, Anthony; James, Bruce D.; Liesegang, John; Gonis, Nick Polynuclear chloromercurate(II) systems in their chloropyridinium salts Acta Crystallographica Section B 55(3) (1999) 396-409

288,311

2023-12-14

14:19:09

#------------------------------------------------------------------------------ #$Date: 2023-12-14 16:14:05 +0200 (Thu, 14 Dec 2023) $ #$Revision: 288311 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/31/2003133.cif $ #-------------------------------------------------------------------...

2,003,134

7.522

0.002

28.046

0.003

9.165

0.002

90

null

105.78

0.02

90

null

1,860.6

0.7

173

1

173

1

null

5

P 1 21/n 1

-P 2yn

14

tetrakis(3-chloropyridinium) decachlorotrimercurate(II)

- C20 H20 Cl14 Hg3 N4 -

- C40 H40 Cl28 Hg6 N8 -

2

0.5

SH0124

Linden, Anthony; James, Bruce D.; Liesegang, John; Gonis, Nick

Polynuclear chloromercurate(II) systems in their chloropyridinium salts

Acta Crystallographica Section B

1,999

55

3

396

409

10.1107/S010876819801550X

0.71069

MoKα

0.0562

0.0357

null

0.0388

null

0.0375

null

1.95

null

has coordinates,has Fobs

Linden, Anthony; James, Bruce D.; Liesegang, John; Gonis, Nick Polynuclear chloromercurate(II) systems in their chloropyridinium salts Acta Crystallographica Section B 55(3) (1999) 396-409

288,311

2023-12-14

14:19:17

#------------------------------------------------------------------------------ #$Date: 2023-12-14 16:14:05 +0200 (Thu, 14 Dec 2023) $ #$Revision: 288311 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/31/2003134.cif $ #-------------------------------------------------------------------...

4,322,416

10.302

0.0015

21.818

0.003

17.796

0.004

90

null

118.98

0.02

90

null

3,499.1

1.3

173

2

173

2

null

6

C 1 2/c 1

-C 2yc

15

di-[(N,N'-ethylenebis(salicylideneiminato)nickel(ii)]-di-aquo-nickel(ii)perc hlorate

- C32 H32 Cl2 N4 Ni3 O14 -

- C128 H128 Cl8 N16 Ni12 O56 -

4

0.5

Laura Carbonaro; Mauro Isola; Piero La Pegna; Lucio Senatore; Fabio Marchetti

Spectrophotometric Study of the Equilibria between Nickel(II) Schiff-Base Complexes and Alkaline Earth or Nickel(II) Cations in Acetonitrile Solution

Inorganic Chemistry

1,999

38

5519

5525

10.1021/ic990189j

0.71073

MoKα

0.1186

0.065

null

0.1396

0.165

null

1.01

null

has coordinates

Laura Carbonaro; Mauro Isola; Piero La Pegna; Lucio Senatore; Fabio Marchetti Spectrophotometric Study of the Equilibria between Nickel(II) Schiff-Base Complexes and Alkaline Earth or Nickel(II) Cations in Acetonitrile Solution Inorganic Chemistry 38 (1999) 5519-5525

179,327

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:25:49 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179327 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/24/4322416.cif $ #-------------------------------------------------------------------...

2,003,135

9.907

0.003

13.226

0.002

7.282

0.002

84.41

0.02

74.81

0.02

87.34

0.02

916.2

0.4

173

1

173

1

null

5

P -1

-P 1

2

tetrakis(4-chloropyridinium) decachlorotrimercurate(II)

- C20 H20 Cl14 Hg3 N4 -

1

0.5

SH0124

Linden, Anthony; James, Bruce D.; Liesegang, John; Gonis, Nick

Polynuclear chloromercurate(II) systems in their chloropyridinium salts

Acta Crystallographica Section B

1,999

55

3

396

409

10.1107/S010876819801550X

0.71069

MoKα

0.055

0.0383

null

0.0396

null

0.0386

null

2.2

null

has coordinates

Linden, Anthony; James, Bruce D.; Liesegang, John; Gonis, Nick Polynuclear chloromercurate(II) systems in their chloropyridinium salts Acta Crystallographica Section B 55(3) (1999) 396-409

288,311

2023-12-14

14:19:32

#------------------------------------------------------------------------------ #$Date: 2023-12-14 16:14:05 +0200 (Thu, 14 Dec 2023) $ #$Revision: 288311 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/31/2003135.cif $ #-------------------------------------------------------------------...

2,003,136

7.243

0.005

22.145

0.008

12.32

0.003

90

null

99.52

0.03

90

null

1,948.9

1.6

173

1

173

1

null

5

P 1 21/c 1

-P 2ybc

14

3-chloropyridinium trichloromercurate(II)

- C5 H5 Cl4 Hg N -

- C40 H40 Cl32 Hg8 N8 -

8

2

SH0124

Linden, Anthony; James, Bruce D.; Liesegang, John; Gonis, Nick

Polynuclear chloromercurate(II) systems in their chloropyridinium salts

Acta Crystallographica Section B

1,999

55

3

396

409

10.1107/S010876819801550X

0.71069

MoKα

0.0879

0.0486

null

0.0513

null

0.0489

null

2.014

null

has coordinates,has Fobs

Linden, Anthony; James, Bruce D.; Liesegang, John; Gonis, Nick Polynuclear chloromercurate(II) systems in their chloropyridinium salts Acta Crystallographica Section B 55(3) (1999) 396-409

288,311

2023-12-14

14:19:45

#------------------------------------------------------------------------------ #$Date: 2023-12-14 16:14:05 +0200 (Thu, 14 Dec 2023) $ #$Revision: 288311 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/31/2003136.cif $ #-------------------------------------------------------------------...

2,003,137

13.447

0.003

7.534

0.002

9.939

0.002

90

null

97.48

0.02

90

null

998.3

0.4

173

1

173

1

null

5

C 1 2/m 1

-C 2y

12

bis(4-chloropyridinium) hexachlorodimercurate(II)

- C10 H10 Cl8 Hg2 N2 -

- C12 H10 Cl8 Hg2 N4 -

- C24 H20 Cl16 Hg4 N8 -

2

0.25

SH0124

Linden, Anthony; James, Bruce D.; Liesegang, John; Gonis, Nick

Polynuclear chloromercurate(II) systems in their chloropyridinium salts

Acta Crystallographica Section B

1,999

55

3

396

409

10.1107/S010876819801550X

0.71069

MoKα

null

0.0528

null

0.0675

null

0.0641

null

0.0653

null

2.187

null

has coordinates,has Fobs

Linden, Anthony; James, Bruce D.; Liesegang, John; Gonis, Nick Polynuclear chloromercurate(II) systems in their chloropyridinium salts Acta Crystallographica Section B 55(3) (1999) 396-409

288,311

2023-12-14

14:19:52

#------------------------------------------------------------------------------ #$Date: 2023-12-14 16:14:05 +0200 (Thu, 14 Dec 2023) $ #$Revision: 288311 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/31/2003137.cif $ #-------------------------------------------------------------------...

2,003,138

5.8779

0.0004

11.7846

0.0006

8.2042

0.0006

90

null

90

null

90

null

568.27

null

3

P b a m

-P 2 2ab

55

- O3 Pb Zr -

- O10 Pb2 Zr4 -

- O40 Pb8 Zr16 -

4

0.5

Teslic, S.; Egami, T.

Atomic Structure of PbZrO3 Determined by Pulsed Neutron Diffraction

Acta Crystallographica, Section B: Structural Science

1,998

54

6

750

765

10.1107/s0108768198003802

neutron

0.71073

neutron

null

has coordinates

Teslic, S.; Egami, T. Atomic Structure of PbZrO3 Determined by Pulsed Neutron Diffraction Acta Crystallographica, Section B: Structural Science 54(6) (1998) 750-765

297,160

2025-01-07

7:00:42

#------------------------------------------------------------------------------ #$Date: 2025-01-07 09:00:20 +0200 (Tue, 07 Jan 2025) $ #$Revision: 297160 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/31/2003138.cif $ #-------------------------------------------------------------------...

2,003,139

5.8822

0.0004

11.7813

0.0006

8.2293

0.0004

90

null

90

null

90

null

570.28

null

3

P b a m

-P 2 2ab

55

- O3 Pb Zr -

- O10 Pb2 Zr4 -

- O40 Pb8 Zr16 -

4

0.5

Teslic, S.; Egami, T.

Atomic Structure of PbZrO3 Determined by Pulsed Neutron Diffraction

Acta Crystallographica, Section B: Structural Science

1,998

54

6

750

765

10.1107/s0108768198003802

neutron

0.71073

neutron

null

has coordinates

Teslic, S.; Egami, T. Atomic Structure of PbZrO3 Determined by Pulsed Neutron Diffraction Acta Crystallographica, Section B: Structural Science 54(6) (1998) 750-765

297,160

2025-01-07

7:00:56

#------------------------------------------------------------------------------ #$Date: 2025-01-07 09:00:20 +0200 (Tue, 07 Jan 2025) $ #$Revision: 297160 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/31/2003139.cif $ #-------------------------------------------------------------------...

2,003,140

5.8779

0.0004

11.7846

0.0006

8.2042

0.0006

90

null

90

null

90

null

568.27

null

3

P b a m

-P 2 2ab

55

- O3 Pb Zr -

- O10 Pb2 Zr4 -

- O40 Pb8 Zr16 -

4

0.5

Teslic, S.; Egami, T.

Atomic Structure of PbZrO3 Determined by Pulsed Neutron Diffraction

Acta Crystallographica, Section B: Structural Science

1,998

54

6

750

765

10.1107/s0108768198003802

neutron

0.71073

neutron

null

has coordinates

Teslic, S.; Egami, T. Atomic Structure of PbZrO3 Determined by Pulsed Neutron Diffraction Acta Crystallographica, Section B: Structural Science 54(6) (1998) 750-765

297,160

2025-01-07

7:01:06

#------------------------------------------------------------------------------ #$Date: 2025-01-07 09:00:20 +0200 (Tue, 07 Jan 2025) $ #$Revision: 297160 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/31/2003140.cif $ #-------------------------------------------------------------------...

2,003,141

5.8775

0.0003

11.7835

0.0004

8.2088

0.0004

90

null

90

null

90

null

568.5

null

3

P b a m

-P 2 2ab

55

- O3 Pb Zr -

- O10 Pb2 Zr4 -

- O40 Pb8 Zr16 -

4

0.5

Teslic, S.; Egami, T.

Atomic Structure of PbZrO3 Determined by Pulsed Neutron Diffraction

Acta Crystallographica, Section B: Structural Science

1,998

54

6

750

765

10.1107/s0108768198003802

neutron

0.71073

neutron

null

has coordinates

Teslic, S.; Egami, T. Atomic Structure of PbZrO3 Determined by Pulsed Neutron Diffraction Acta Crystallographica, Section B: Structural Science 54(6) (1998) 750-765

297,160

2025-01-07

7:01:23

#------------------------------------------------------------------------------ #$Date: 2025-01-07 09:00:20 +0200 (Tue, 07 Jan 2025) $ #$Revision: 297160 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/31/2003141.cif $ #-------------------------------------------------------------------...

2,003,142

5.8797

0.0003

11.7827

0.0004

8.2162

0.0003

90

null

90

null

90

null

569.17

null

3

P b a m

-P 2 2ab

55

- O3 Pb Zr -

- O10 Pb2 Zr4 -

- O40 Pb8 Zr16 -

4

0.5

Teslic, S.; Egami, T.

Atomic Structure of PbZrO3 Determined by Pulsed Neutron Diffraction

Acta Crystallographica, Section B: Structural Science

1,998

54

6

750

765

10.1107/s0108768198003802

neutron

0.71073

neutron

null

has coordinates

Teslic, S.; Egami, T. Atomic Structure of PbZrO3 Determined by Pulsed Neutron Diffraction Acta Crystallographica, Section B: Structural Science 54(6) (1998) 750-765

297,160

2025-01-07

7:01:35

#------------------------------------------------------------------------------ #$Date: 2025-01-07 09:00:20 +0200 (Tue, 07 Jan 2025) $ #$Revision: 297160 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/31/2003142.cif $ #-------------------------------------------------------------------...

2,003,143

5.8819

0.0004

11.782

0.0006

8.2294

0.0006

90

null

90

null

90

null

570.3

null

3

P b a m

-P 2 2ab

55

- O3 Pb Zr -

- O10 Pb2 Zr4 -

- O40 Pb8 Zr16 -

4

0.5

Teslic, S.; Egami, T.

Atomic Structure of PbZrO3 Determined by Pulsed Neutron Diffraction

Acta Crystallographica, Section B: Structural Science

1,998

54

6

750

765

10.1107/s0108768198003802

neutron

0.71073

neutron

null

has coordinates

Teslic, S.; Egami, T. Atomic Structure of PbZrO3 Determined by Pulsed Neutron Diffraction Acta Crystallographica, Section B: Structural Science 54(6) (1998) 750-765

297,160

2025-01-07

7:01:46

#------------------------------------------------------------------------------ #$Date: 2025-01-07 09:00:20 +0200 (Tue, 07 Jan 2025) $ #$Revision: 297160 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/31/2003143.cif $ #-------------------------------------------------------------------...

2,003,144

5.8808

0.0005

11.7703

0.0006

8.2539

0.0005

90

null

90

null

90

null

571.31

null

3

P b a m

-P 2 2ab

55

- O3 Pb Zr -

- O10 Pb2 Zr4 -

- O40 Pb8 Zr16 -

4

0.5

Teslic, S.; Egami, T.

Atomic Structure of PbZrO3 Determined by Pulsed Neutron Diffraction

Acta Crystallographica, Section B: Structural Science

1,998

54

6

750

765

10.1107/s0108768198003802

neutron

0.71073

neutron

null

has coordinates

Teslic, S.; Egami, T. Atomic Structure of PbZrO3 Determined by Pulsed Neutron Diffraction Acta Crystallographica, Section B: Structural Science 54(6) (1998) 750-765

297,160

2025-01-07

7:02:02

#------------------------------------------------------------------------------ #$Date: 2025-01-07 09:00:20 +0200 (Tue, 07 Jan 2025) $ #$Revision: 297160 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/31/2003144.cif $ #-------------------------------------------------------------------...

2,003,145

5.8822

0.0004

11.7813

0.0006

8.2293

0.0004

90

null

90

null

90

null

570.28

null

3

P b a m

-P 2 2ab

55

- O3 Pb Zr -

- O10 Pb2 Zr4 -

- O40 Pb8 Zr16 -

4

0.5

Teslic, S.; Egami, T.

Atomic Structure of PbZrO3 Determined by Pulsed Neutron Diffraction

Acta Crystallographica, Section B: Structural Science

1,998

54

6

750

765

10.1107/s0108768198003802

neutron

0.71073

neutron

null

has coordinates

Teslic, S.; Egami, T. Atomic Structure of PbZrO3 Determined by Pulsed Neutron Diffraction Acta Crystallographica, Section B: Structural Science 54(6) (1998) 750-765

297,160

2025-01-07

7:02:18

#------------------------------------------------------------------------------ #$Date: 2025-01-07 09:00:20 +0200 (Tue, 07 Jan 2025) $ #$Revision: 297160 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/31/2003145.cif $ #-------------------------------------------------------------------...

2,003,146

5.8775

0.0003

11.7835

0.0004

8.2088

0.0004

90

null

90

null

90

null

568.5

null

3

P b a m

-P 2 2ab

55

- O3 Pb Zr -

- O10 Pb2 Zr4 -

- O40 Pb8 Zr16 -

4

0.5

Teslic, S.; Egami, T.

Atomic Structure of PbZrO3 Determined by Pulsed Neutron Diffraction

Acta Crystallographica, Section B: Structural Science

1,998

54

6

750

765

10.1107/s0108768198003802

neutron

0.71073

neutron

null

has coordinates

Teslic, S.; Egami, T. Atomic Structure of PbZrO3 Determined by Pulsed Neutron Diffraction Acta Crystallographica, Section B: Structural Science 54(6) (1998) 750-765

297,160

2025-01-07

7:02:31

#------------------------------------------------------------------------------ #$Date: 2025-01-07 09:00:20 +0200 (Tue, 07 Jan 2025) $ #$Revision: 297160 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/31/2003146.cif $ #-------------------------------------------------------------------...

2,003,147

5.8797

0.0003

11.7827

0.0004

8.2162

0.0003

90

null

90

null

90

null

569.17

null

3

P b a m

-P 2 2ab

55

- O3 Pb Zr -

- O10 Pb4 Zr4 -

- O40 Pb16 Zr16 -

4

0.5

Teslic, S.; Egami, T.

Atomic Structure of PbZrO3 Determined by Pulsed Neutron Diffraction

Acta Crystallographica, Section B: Structural Science

1,998

54

6

750

765

10.1107/s0108768198003802

neutron

0.71073

neutron

null

has coordinates

Teslic, S.; Egami, T. Atomic Structure of PbZrO3 Determined by Pulsed Neutron Diffraction Acta Crystallographica, Section B: Structural Science 54(6) (1998) 750-765

297,160

2025-01-07

7:02:43

#------------------------------------------------------------------------------ #$Date: 2025-01-07 09:00:20 +0200 (Tue, 07 Jan 2025) $ #$Revision: 297160 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/31/2003147.cif $ #-------------------------------------------------------------------...

2,003,148

5.8819

0.0004

11.782

0.0006

8.2294

0.0006

90

null

90

null

90

null

570.3

null

3

P b a m

-P 2 2ab

55

- O3 Pb Zr -

- O10 Pb4 Zr4 -

- O40 Pb16 Zr16 -

4

0.5

Teslic, S.; Egami, T.

Atomic Structure of PbZrO3 Determined by Pulsed Neutron Diffraction

Acta Crystallographica, Section B: Structural Science

1,998

54

6

750

765

10.1107/s0108768198003802

neutron

0.71073

neutron

null

has coordinates

Teslic, S.; Egami, T. Atomic Structure of PbZrO3 Determined by Pulsed Neutron Diffraction Acta Crystallographica, Section B: Structural Science 54(6) (1998) 750-765

297,160

2025-01-07

7:02:46

#------------------------------------------------------------------------------ #$Date: 2025-01-07 09:00:20 +0200 (Tue, 07 Jan 2025) $ #$Revision: 297160 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/31/2003148.cif $ #-------------------------------------------------------------------...

2,003,149

5.8808

0.0005

11.7703

0.0006

8.2539

0.0005

90

null

90

null

90

null

571.31

null

3

P b a m

-P 2 2ab

55

- O3 Pb Zr -

- O10 Pb4 Zr4 -

- O40 Pb16 Zr16 -

4

0.5

Teslic, S.; Egami, T.

Atomic Structure of PbZrO3 Determined by Pulsed Neutron Diffraction

Acta Crystallographica, Section B: Structural Science

1,998

54

6

750

765

10.1107/s0108768198003802

neutron

0.71073

neutron

null

has coordinates

Teslic, S.; Egami, T. Atomic Structure of PbZrO3 Determined by Pulsed Neutron Diffraction Acta Crystallographica, Section B: Structural Science 54(6) (1998) 750-765

297,160

2025-01-07

7:03:00

#------------------------------------------------------------------------------ #$Date: 2025-01-07 09:00:20 +0200 (Tue, 07 Jan 2025) $ #$Revision: 297160 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/31/2003149.cif $ #-------------------------------------------------------------------...

2,003,150

7.072

0.001

7.072

0.001

27.144

0.005

90

null

90

null

120

null

1,175.7

0.3

293

2

293

2

null

5

R -3 m :H

-R 3 2"

166

- Cl4 Co H22 N7 O8 -

- Cl12 Co3 H66 N21 O24 -

3

0.083333

TA0002

Figgis, B. N.; Sobolev, A. N.; Reynolds, P. A.

Phase Transitions and Structures at 10, 92 and 293 K in Eight Trigonal Double Salts M^I^[M^III^(NH~3~)~6~](ClO~4~)~2~X~2~

Acta Crystallographica Section B

1,998

54

5

613

625

10.1107/S0108768198002328

0.71073

MoKα

0.0264

0.0261

null

0.0581

null

1.131

null

has coordinates

Figgis, B. N.; Sobolev, A. N.; Reynolds, P. A. Phase Transitions and Structures at 10, 92 and 293 K in Eight Trigonal Double Salts M^I^[M^III^(NH~3~)~6~](ClO~4~)~2~X~2~ Acta Crystallographica Section B 54(5) (1998) 613-625

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/2/00/31/2003150.cif $ #-------------------------------------------------------------------...

2,003,151

7.025

0.001

7.025

0.001

26.988

0.012

90

null

90

null

120

null

1,153.4

0.6

92

2

92

2

null

5

R -3 :H

-R 3

148

- Cl4 Co H22 N7 O8 -

- Cl12 Co3 H66 N21 O24 -

3

0.166667

TA0002

Figgis, B. N.; Sobolev, A. N.; Reynolds, P. A.

Phase Transitions and Structures at 10, 92 and 293 K in Eight Trigonal Double Salts M^I^[M^III^(NH~3~)~6~](ClO~4~)~2~X~2~

Acta Crystallographica Section B

1,998

54

5

613

625

10.1107/S0108768198002328

0.71073

MoKα

0.0191

0.0187

null

0.0533

null

1.206

null

has coordinates

Figgis, B. N.; Sobolev, A. N.; Reynolds, P. A. Phase Transitions and Structures at 10, 92 and 293 K in Eight Trigonal Double Salts M^I^[M^III^(NH~3~)~6~](ClO~4~)~2~X~2~ Acta Crystallographica Section B 54(5) (1998) 613-625

176,432

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176432 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/31/2003151.cif $ #-------------------------------------------------------------------...

2,003,152

7.239

0.001

7.239

0.001

27.119

0.006

90

null

90

null

120

null

1,230.7

0.4

293

2

293

2

null

6

R -3 m :H

-R 3 2"

166

- Cl4 Co Cs H18 N6 O8 -

- Cl12 Co3 Cs3 H54 N18 O24 -

3

0.083333

TA0002

Figgis, B. N.; Sobolev, A. N.; Reynolds, P. A.

Phase Transitions and Structures at 10, 92 and 293 K in Eight Trigonal Double Salts M^I^[M^III^(NH~3~)~6~](ClO~4~)~2~X~2~

Acta Crystallographica Section B

1,998

54

5

613

625

10.1107/S0108768198002328

0.71073

MoKα

0.0159

0.0158

null

0.0437

null

1.187

null

has coordinates

Figgis, B. N.; Sobolev, A. N.; Reynolds, P. A. Phase Transitions and Structures at 10, 92 and 293 K in Eight Trigonal Double Salts M^I^[M^III^(NH~3~)~6~](ClO~4~)~2~X~2~ Acta Crystallographica Section B 54(5) (1998) 613-625

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/2/00/31/2003152.cif $ #-------------------------------------------------------------------...

2,003,153

7.129

0.001

7.129

0.001

27.56

0.004

90

null

90

null

120

null

1,213

0.3

293

2

293

2

null

5

R -3 m :H

-R 3 2"

166

- Cl4 H22 N7 O8 Ru -

- Cl12 H66 N21 O24 Ru3 -

3

0.083333

TA0002

Figgis, B. N.; Sobolev, A. N.; Reynolds, P. A.

Phase Transitions and Structures at 10, 92 and 293 K in Eight Trigonal Double Salts M^I^[M^III^(NH~3~)~6~](ClO~4~)~2~X~2~

Acta Crystallographica Section B

1,998

54

5

613

625

10.1107/S0108768198002328

0.71073

MoKα

0.0194

0.0187

null

0.0457

null

1.169

null

has coordinates

Figgis, B. N.; Sobolev, A. N.; Reynolds, P. A. Phase Transitions and Structures at 10, 92 and 293 K in Eight Trigonal Double Salts M^I^[M^III^(NH~3~)~6~](ClO~4~)~2~X~2~ Acta Crystallographica Section B 54(5) (1998) 613-625

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/2/00/31/2003153.cif $ #-------------------------------------------------------------------...

2,003,154

7.027

0.001

7.027

0.001

27.57

0.004

90

null

90

null

120

null

1,179

0.3

293

2

293

2

null

6

R -3 m :H

-R 3 2"

166

- Cl4 H18 K N6 O8 Ru -

- Cl12 H54 K3 N18 O24 Ru3 -

3

0.083333

TA0002

Figgis, B. N.; Sobolev, A. N.; Reynolds, P. A.

Phase Transitions and Structures at 10, 92 and 293 K in Eight Trigonal Double Salts M^I^[M^III^(NH~3~)~6~](ClO~4~)~2~X~2~

Acta Crystallographica Section B

1,998

54

5

613

625

10.1107/S0108768198002328

0.71073

MoKα

0.0166

0.0157

null

0.0407

null

1.241

null

has coordinates

Figgis, B. N.; Sobolev, A. N.; Reynolds, P. A. Phase Transitions and Structures at 10, 92 and 293 K in Eight Trigonal Double Salts M^I^[M^III^(NH~3~)~6~](ClO~4~)~2~X~2~ Acta Crystallographica Section B 54(5) (1998) 613-625

301,791

2025-08-18

23:15:22

#------------------------------------------------------------------------------ #$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/2/00/31/2003154.cif $ #-------------------------------------------------------------------...

2,003,155

6.965

0.002

6.965

0.002

27.333

0.009

90

null

90

null

120

null

1,148.3

0.6

92

2

92

2

null

6

R -3 m :H

-R 3 2"

166

- Cl4 H18 K N6 O8 Ru -

- Cl12 H54 K3 N18 O24 Ru3 -

3

0.083333

TA0002

Figgis, B. N.; Sobolev, A. N.; Reynolds, P. A.

Phase Transitions and Structures at 10, 92 and 293 K in Eight Trigonal Double Salts M^I^[M^III^(NH~3~)~6~](ClO~4~)~2~X~2~

Acta Crystallographica Section B

1,998

54

5

613

625

10.1107/S0108768198002328

0.71073

MoKα

0.016

0.0149

null

0.0425

null

1.202

null

has coordinates

Figgis, B. N.; Sobolev, A. N.; Reynolds, P. A. Phase Transitions and Structures at 10, 92 and 293 K in Eight Trigonal Double Salts M^I^[M^III^(NH~3~)~6~](ClO~4~)~2~X~2~ Acta Crystallographica Section B 54(5) (1998) 613-625

301,791

2025-08-18

23:15:22

#------------------------------------------------------------------------------ #$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/2/00/31/2003155.cif $ #-------------------------------------------------------------------...

2,003,156

7.1392

0.0006

7.1392

0.0006

27.599

0.004

90

null

90

null

120

null

1,218.2

0.2

293

2

293

2

null

6

R -3 m :H

-R 3 2"

166

- Cl4 H18 N6 O8 Rb Ru -

- Cl12 H54 N18 O24 Rb3 Ru3 -

3

0.083333

TA0002

Figgis, B. N.; Sobolev, A. N.; Reynolds, P. A.

Phase Transitions and Structures at 10, 92 and 293 K in Eight Trigonal Double Salts M^I^[M^III^(NH~3~)~6~](ClO~4~)~2~X~2~

Acta Crystallographica Section B

1,998

54

5

613

625

10.1107/S0108768198002328

0.71073

MoKα

0.0151

0.0148

null

0.041

0.0408

null

1.095

1.1

null

has coordinates

Figgis, B. N.; Sobolev, A. N.; Reynolds, P. A. Phase Transitions and Structures at 10, 92 and 293 K in Eight Trigonal Double Salts M^I^[M^III^(NH~3~)~6~](ClO~4~)~2~X~2~ Acta Crystallographica Section B 54(5) (1998) 613-625

301,791

2025-08-18

23:15:22

#------------------------------------------------------------------------------ #$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/2/00/31/2003156.cif $ #-------------------------------------------------------------------...

2,003,157

7.104

0.001

7.104

0.001

27.408

0.007

90

null

90

null

120

null

1,197.9

0.4

92

2

92

2

null

6

R -3 :H

-R 3

148

- Cl4 H18 N6 O8 Rb Ru -

- Cl12 H54 N18 O24 Rb3 Ru3 -

3

0.166667

TA0002

Figgis, B. N.; Sobolev, A. N.; Reynolds, P. A.

Phase Transitions and Structures at 10, 92 and 293 K in Eight Trigonal Double Salts M^I^[M^III^(NH~3~)~6~](ClO~4~)~2~X~2~

Acta Crystallographica Section B

1,998

54

5

613

625

10.1107/S0108768198002328

0.71073

MoKα

0.0271

0.0245

null

0.0592

null

1.068

null

has coordinates

Figgis, B. N.; Sobolev, A. N.; Reynolds, P. A. Phase Transitions and Structures at 10, 92 and 293 K in Eight Trigonal Double Salts M^I^[M^III^(NH~3~)~6~](ClO~4~)~2~X~2~ Acta Crystallographica Section B 54(5) (1998) 613-625

301,791

2025-08-18

23:15:22

#------------------------------------------------------------------------------ #$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/2/00/31/2003157.cif $ #-------------------------------------------------------------------...

2,003,158

7.09

0.001

7.09

0.001

27.351

0.005

90

null

90

null

120

null

1,190.7

0.3

9.5

0.3

10

2

null

6

R -3 :H

-R 3

148

- Cl4 H18 N6 O8 Rb Ru -

- Cl12 H54 N18 O24 Rb3 Ru3 -

3

0.166667

TA0002

Figgis, B. N.; Sobolev, A. N.; Reynolds, P. A.

Phase Transitions and Structures at 10, 92 and 293 K in Eight Trigonal Double Salts M^I^[M^III^(NH~3~)~6~](ClO~4~)~2~X~2~

Acta Crystallographica Section B

1,998

54

5

613

625

10.1107/S0108768198002328

0.71073

MoKα

0.0268

0.0198

null

0.0511

null

1.05

null

has coordinates

Figgis, B. N.; Sobolev, A. N.; Reynolds, P. A. Phase Transitions and Structures at 10, 92 and 293 K in Eight Trigonal Double Salts M^I^[M^III^(NH~3~)~6~](ClO~4~)~2~X~2~ Acta Crystallographica Section B 54(5) (1998) 613-625

301,791

2025-08-18

23:15:22

#------------------------------------------------------------------------------ #$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/2/00/31/2003158.cif $ #-------------------------------------------------------------------...

2,003,159

7.311

0.001

7.311

0.001

27.513

0.004

90

null

90

null

120

null

1,273.6

0.3

293

2

293

2

null

6

R -3 m :H

-R 3 2"

166

- Cl4 Cs H18 N6 O8 Ru -

- Cl12 Cs3 H54 N18 O24 Ru3 -

3

0.083333

TA0002

Figgis, B. N.; Sobolev, A. N.; Reynolds, P. A.

Phase Transitions and Structures at 10, 92 and 293 K in Eight Trigonal Double Salts M^I^[M^III^(NH~3~)~6~](ClO~4~)~2~X~2~

Acta Crystallographica Section B

1,998

54

5

613

625

10.1107/S0108768198002328

0.71073

MoKα

0.0169

0.016

null

0.0419

null

1.148

null

has coordinates

Figgis, B. N.; Sobolev, A. N.; Reynolds, P. A. Phase Transitions and Structures at 10, 92 and 293 K in Eight Trigonal Double Salts M^I^[M^III^(NH~3~)~6~](ClO~4~)~2~X~2~ Acta Crystallographica Section B 54(5) (1998) 613-625

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/2/00/31/2003159.cif $ #-------------------------------------------------------------------...

2,003,160

7.29

0.001

7.29

0.001

27.282

0.006

90

null

90

null

120

null

1,255.6

0.4

92

2

92

2

null

6

R -3 :H

-R 3

148

- Cl4 Cs H18 N6 O8 Ru -

- Cl12 Cs3 H54 N18 O24 Ru3 -

3

0.166667

TA0002

Figgis, B. N.; Sobolev, A. N.; Reynolds, P. A.

Phase Transitions and Structures at 10, 92 and 293 K in Eight Trigonal Double Salts M^I^[M^III^(NH~3~)~6~](ClO~4~)~2~X~2~

Acta Crystallographica Section B

1,998

54

5

613

625

10.1107/S0108768198002328

0.71073

MoKα

0.0117

0.0114

null

0.0299

null

1.116

null

has coordinates

Figgis, B. N.; Sobolev, A. N.; Reynolds, P. A. Phase Transitions and Structures at 10, 92 and 293 K in Eight Trigonal Double Salts M^I^[M^III^(NH~3~)~6~](ClO~4~)~2~X~2~ Acta Crystallographica Section B 54(5) (1998) 613-625

301,791

2025-08-18

23:15:22

#------------------------------------------------------------------------------ #$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/2/00/31/2003160.cif $ #-------------------------------------------------------------------...

2,003,161

7.323

0.001

7.323

0.001

27.599

0.008

90

null

90

null

120

null

1,281.7

0.4

293

2

293

2

null

6

R -3 m :H

-R 3 2"

166

- Cl4 Cr Cs H18 N6 O8 -

- Cl12 Cr3 Cs3 H54 N18 O24 -

3

0.083333

TA0002

Figgis, B. N.; Sobolev, A. N.; Reynolds, P. A.

Phase Transitions and Structures at 10, 92 and 293 K in Eight Trigonal Double Salts M^I^[M^III^(NH~3~)~6~](ClO~4~)~2~X~2~

Acta Crystallographica Section B

1,998

54

5

613

625

10.1107/S0108768198002328

0.71073

MoKα

0.0249

0.0236

null

0.067

null

1.177

null

has coordinates

Figgis, B. N.; Sobolev, A. N.; Reynolds, P. A. Phase Transitions and Structures at 10, 92 and 293 K in Eight Trigonal Double Salts M^I^[M^III^(NH~3~)~6~](ClO~4~)~2~X~2~ Acta Crystallographica Section B 54(5) (1998) 613-625

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/2/00/31/2003161.cif $ #-------------------------------------------------------------------...

2,003,162

7.294

0.001

7.294

0.001

27.311

0.006

90

null

90

null

120

null

1,258.3

0.4

10

2

10

2

null

6

R -3 :H

-R 3

148

- Cl4 Cr Cs H18 N6 O8 -

- Cl12 Cr3 Cs3 H54 N18 O24 -

3

0.166667

TA0002

Figgis, B. N.; Sobolev, A. N.; Reynolds, P. A.

Phase Transitions and Structures at 10, 92 and 293 K in Eight Trigonal Double Salts M^I^[M^III^(NH~3~)~6~](ClO~4~)~2~X~2~

Acta Crystallographica Section B

1,998

54

5

613

625

10.1107/S0108768198002328

0.71073

MoKα

0.016

0.0146

null

0.0436

null

1.112

null

has coordinates

Figgis, B. N.; Sobolev, A. N.; Reynolds, P. A. Phase Transitions and Structures at 10, 92 and 293 K in Eight Trigonal Double Salts M^I^[M^III^(NH~3~)~6~](ClO~4~)~2~X~2~ Acta Crystallographica Section B 54(5) (1998) 613-625

301,791

2025-08-18

23:15:22

#------------------------------------------------------------------------------ #$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/2/00/31/2003162.cif $ #-------------------------------------------------------------------...

2,003,163

7.413

0.001

7.413

0.001

27.78

0.007

90

null

90

null

120

null

1,322.1

0.4

293

2

293

2

null

7

R -3 m :H

-R 3 2"

166

- Br2 Cl2 Cr Cs H18 N6 O8 -

- Br6 Cl6 Cr3 Cs3 H54 N18 O24 -

3

0.083333

TA0002

Figgis, B. N.; Sobolev, A. N.; Reynolds, P. A.

Phase Transitions and Structures at 10, 92 and 293 K in Eight Trigonal Double Salts M^I^[M^III^(NH~3~)~6~](ClO~4~)~2~X~2~

Acta Crystallographica Section B

1,998

54

5

613

625

10.1107/S0108768198002328

0.71073

MoKα

0.0155

0.015

null

0.0396

null

1.13

null

has coordinates

Figgis, B. N.; Sobolev, A. N.; Reynolds, P. A. Phase Transitions and Structures at 10, 92 and 293 K in Eight Trigonal Double Salts M^I^[M^III^(NH~3~)~6~](ClO~4~)~2~X~2~ Acta Crystallographica Section B 54(5) (1998) 613-625

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/2/00/31/2003163.cif $ #-------------------------------------------------------------------...

2,003,164

7.369

0.001

7.369

0.001

27.578

0.005

90

null

90

null

120

null

1,296.9

0.3

10

2

10

2

null

7

R -3 :H

-R 3

148

- Br2 Cl2 Cr Cs H18 N6 O8 -

- Br6 Cl6 Cr3 Cs3 H54 N18 O24 -

3

0.166667

TA0002

Figgis, B. N.; Sobolev, A. N.; Reynolds, P. A.

Phase Transitions and Structures at 10, 92 and 293 K in Eight Trigonal Double Salts M^I^[M^III^(NH~3~)~6~](ClO~4~)~2~X~2~

Acta Crystallographica Section B

1,998

54

5

613

625

10.1107/S0108768198002328

0.71073

MoKα

0.0098

null

0.024

null

1.156

null

has coordinates

Figgis, B. N.; Sobolev, A. N.; Reynolds, P. A. Phase Transitions and Structures at 10, 92 and 293 K in Eight Trigonal Double Salts M^I^[M^III^(NH~3~)~6~](ClO~4~)~2~X~2~ Acta Crystallographica Section B 54(5) (1998) 613-625

301,791

2025-08-18

23:15:22

#------------------------------------------------------------------------------ #$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/2/00/31/2003164.cif $ #-------------------------------------------------------------------...

2,003,165

10.191

0.005

17.678

0.008

17.754

0.009

90

null

99.42

0.02

90

null

3,155

3

295

2

295

2

null

6

C 1 2/c 1

-C 2yc

15

- C22 H48 Cl2 N6 O8 Zn -

- C44 H104.32 Cl4.002 N12 O17.22 Zn2 -

- C176 H417.28 Cl16.008 N48 O68.88 Zn8 -

4

0.5

TA0004

Haller, Kenneth J.; Rae, A. David; Bygott, Alexia M. T.; Hockless, David C. R.; Ralph, Stephen F.; Geue, Rodney J.; Sargeson, Alan M.

Four-component intergrowth structures of the metal-ion cage complexes fac-(1,5,9,13,20-pentamethyl-3,7,11,15,18,22-hexaazabicyclo[7.7.7]tricosane)M^II^ diperchlorate hydrate, [M(C~22~H~48~N~6~)](ClO~4~)~2~.xH~2~O, M = Ni, Zn

Acta Crystallographica Section B

1,999

55

3

380

388

10.1107/S0108768198012968

1.5418

CuKα

0.069

0.054

null

0.09

0.083

null

1.73

1.78

null

has coordinates,has Fobs

Haller, Kenneth J.; Rae, A. David; Bygott, Alexia M. T.; Hockless, David C. R.; Ralph, Stephen F.; Geue, Rodney J.; Sargeson, Alan M. Four-component intergrowth structures of the metal-ion cage complexes fac-(1,5,9,13,20-pentamethyl-3,7,11,15,18,22-hexaazabicyclo[7.7.7]tricosane)M^II^ diperchlorate hydrat...

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/2/00/31/2003165.cif $ #-------------------------------------------------------------------...

4,322,415

10.995

0.002

20.83

0.004

19.567

0.004

90

null

116.94

0.03

90

null

3,995

1.7

293

2

293

2

null

7

P 1 21/c 1

-P 2ybc

14

di-[(N,N'-ethylenebis(salicylideneiminato)nickel(ii)]-tetrahydrofuran-barium (ii)perchlorate

- C36 H36 Ba Cl2 N4 Ni2 O13 -

- C144 H144 Ba4 Cl8 N16 Ni8 O52 -

4

1

Laura Carbonaro; Mauro Isola; Piero La Pegna; Lucio Senatore; Fabio Marchetti

Spectrophotometric Study of the Equilibria between Nickel(II) Schiff-Base Complexes and Alkaline Earth or Nickel(II) Cations in Acetonitrile Solution

Inorganic Chemistry

1,999

38

5519

5525

10.1021/ic990189j

0.71073

MoKα

0.1627

0.0766

null

0.1502

0.1896

null

1.01

null

has coordinates

Laura Carbonaro; Mauro Isola; Piero La Pegna; Lucio Senatore; Fabio Marchetti Spectrophotometric Study of the Equilibria between Nickel(II) Schiff-Base Complexes and Alkaline Earth or Nickel(II) Cations in Acetonitrile Solution Inorganic Chemistry 38 (1999) 5519-5525

301,838

2025-08-20

22:17:37

#------------------------------------------------------------------------------ #$Date: 2025-08-21 01:01:10 +0300 (Thu, 21 Aug 2025) $ #$Revision: 301838 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/24/4322415.cif $ #-------------------------------------------------------------------...

2,003,166

10.177

0.001

17.648

0.002

17.605

0.002

90

null

99.7

0.01

90

null

3,116.7

0.6

295

2

295

2

null

6

C 1 2/c 1

-C 2yc

15

- C22 H48 Cl2 N6 Ni O8 -

- C26.62 H58.08 Cl2.42 N7.26 Ni1.21 O10.292 -

- C106.48 H232.32 Cl9.68 N29.04 Ni4.84 O41.168 -

4

0.5

TA0004

Haller, Kenneth J.; Rae, A. David; Bygott, Alexia M. T.; Hockless, David C. R.; Ralph, Stephen F.; Geue, Rodney J.; Sargeson, Alan M.

Four-component intergrowth structures of the metal-ion cage complexes fac-(1,5,9,13,20-pentamethyl-3,7,11,15,18,22-hexaazabicyclo[7.7.7]tricosane)M^II^ diperchlorate hydrate, [M(C~22~H~48~N~6~)](ClO~4~)~2~.xH~2~O, M = Ni, Zn

Acta Crystallographica Section B

1,999

55

3

380

388

10.1107/S0108768198012968

1.5418

CuKα

0.133

0.074

null

0.137

0.121

null

1.91

2.55

null

has coordinates,has Fobs

Haller, Kenneth J.; Rae, A. David; Bygott, Alexia M. T.; Hockless, David C. R.; Ralph, Stephen F.; Geue, Rodney J.; Sargeson, Alan M. Four-component intergrowth structures of the metal-ion cage complexes fac-(1,5,9,13,20-pentamethyl-3,7,11,15,18,22-hexaazabicyclo[7.7.7]tricosane)M^II^ diperchlorate hydrat...

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/2/00/31/2003166.cif $ #-------------------------------------------------------------------...

2,003,167

8.2116

0.0007

11.229

0.001

7.5178

0.0009

108.507

0.008

113.336

0.007

73.187

0.007

592.9

0.1

294

null

294

null

4

P -1

-P 1

2

Vanadyl bis(acetylacetonate)

Bis(2,4-pentanedionato)oxovanadium(IV)

- C10 H14 O5 V -

- C20 H28 O10 V2 -

2

1

FG1025

Shuter, Edward; Rettig, Steven J.; Orvig, Chris

Bis(2,4-pentanedionato)oxovanadium(IV), a Redetermination

Acta Crystallographica, Section C: Crystal Structure Communications

1,995

51

1

12

14

10.1107/S0108270194010462

0.7107

MoKα

0.149

0.037

null

0.041

0.035

null

1.87

null

has coordinates

Shuter, Edward; Rettig, Steven J.; Orvig, Chris Bis(2,4-pentanedionato)oxovanadium(IV), a Redetermination Acta Crystallographica, Section C: Crystal Structure Communications 51(1) (1995) 12-14

301,791

2025-08-18

23:15:22

#------------------------------------------------------------------------------ #$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/2/00/31/2003167.cif $ #-------------------------------------------------------------------...

2,003,168

10.563

0.002

10.603

0.003

12.25

0.003

97.68

0.04

99.34

0.03

93.11

0.02

1,337.6

0.5

293

null

8

P 1

1

- C48 H38 Cl4 F6 Mn N5 O5 P6 -

1

Carriedo, Gabino A.; Fernández, Lucia; Gómez, Paloma; Garcia-Granda, Santiago; Velázquez, Amador Menéndez

cis-trans-[{N~3~P~3~Cl~4~(C~6~H~5~)(PPh~2~)}Mn(CO)~2~(bipy) {P(OPh)~3~}]PF~6~. A Cationic Manganese‒Carbonyl Complex with a Phosphazenylphosphine Ligand

Acta Crystallographica, Section C: Crystal Structure Communications

1,995

51

1

20

23

10.1107/s0108270194006943

0.71073

MoKα

null

0.0442

null

0.1144

0.1082

null

0.957

1.112

null

has coordinates

Carriedo, Gabino A.; Fernández, Lucia; Gómez, Paloma; Garcia-Granda, Santiago; Velázquez, Amador Menéndez cis-trans-[{N~3~P~3~Cl~4~(C~6~H~5~)(PPh~2~)}Mn(CO)~2~(bipy) {P(OPh)~3~}]PF~6~. A Cationic Manganese‒Carbonyl Complex with a Phosphazenylphosphine Ligand Acta Crystallographica, Section C: Crystal Structure Communic...

200,786

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-09-12 15:05:52 +0300 (Tue, 12 Sep 2017) $ #$Revision: 200786 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/31/2003168.cif $ #-------------------------------------------------------------------...

4,322,414

10.815

0.002

37.894

0.009

20.798

0.004

90

null

100.554

0.014

90

null

8,379

3

293

2

293

2

null

7

P 1 21/c 1

-P 2ybc

14

- C37 H50 N4 O2 Ru Si4 Ti -

- C296 H400 N32 O16 Ru8 Si32 Ti8 -

8

2

Lutz H. Gade; Martin Schubart; Bernd Findeis; Sylvie Fabre; Izoldi Bezougli; Matthias Lutz; Ian J. Scowen; Mary McPartlin

Synthesis and Reactivity of Early-Late Heterodinuclear Complexes Stabilized by a Trisilylsilane-Based Tripodal Amido Ligand

Inorganic Chemistry

1,999

38

5282

5294

10.1021/ic990562n

0.71073

MoKα

0.123

0.0586

null

0.1212

0.1606

null

1.074

null

has coordinates

Lutz H. Gade; Martin Schubart; Bernd Findeis; Sylvie Fabre; Izoldi Bezougli; Matthias Lutz; Ian J. Scowen; Mary McPartlin Synthesis and Reactivity of Early-Late Heterodinuclear Complexes Stabilized by a Trisilylsilane-Based Tripodal Amido Ligand Inorganic Chemistry 38 (1999) 5282-5294

179,327

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:25:49 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179327 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/24/4322414.cif $ #-------------------------------------------------------------------...

2,003,169

12.674

0.003

20.023

0.004

11.494

0.003

90

null

96.11

0.02

90

null

2,900.3

1.2

293

2

293

2

null

6

P 1 21/n 1

-P 2yn

14

31-phenyl-13,16,19,22,25-pentoxa-2,6,31-diazaphosphatetracyclo [24,4,0,1^2,6^,0^7,12^]hentriaconta-1(26),7,9,11,27,29-hexene-31-sulfide

- C29 H35 N2 O5 P S -

- C116 H140 N8 O20 P4 S4 -

4

1

HU1098

Van Oostenryck, Luc; Tinant, Bernard; Declercq, Jean-Paul; Dutasta, Jean-Pierre

A Macrobicyclic Thiophosphonamide Polyether Ligand

Acta Crystallographica, Section C: Crystal Structure Communications

1,995

51

1

80

84

10.1107/S0108270194003914

0.71069

MolybdenumKα

0.0671

0.0487

null

0.1386

0.1306

null

1.061

1.176

null

has coordinates

Van Oostenryck, Luc; Tinant, Bernard; Declercq, Jean-Paul; Dutasta, Jean-Pierre A Macrobicyclic Thiophosphonamide Polyether Ligand Acta Crystallographica, Section C: Crystal Structure Communications 51(1) (1995) 80-84

301,791

2025-08-18

23:15:22

#------------------------------------------------------------------------------ #$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/2/00/31/2003169.cif $ #-------------------------------------------------------------------...

2,003,170

16.791

0.012

15.927

0.011

10.922

0.006

90

null

100.31

0.05

90

null

2,873.7

3.3

293

2

293

2

null

6

P 1 21/n 1

-P 2yn

14

31-phenyl-13,16,19,22,25-pentoxa-2,6,31-diazaphosphatetracyclo [24,4,0,1^2,6^,0^7,12^]hentriaconta-1(26),7,9,11,27,29-hexene-31-sulfide

- C29 H35 N2 O5 P S -

- C32 N2 O6 P S -

- C128 N8 O24 P4 S4 -

4

1

HU1098

Van Oostenryck, Luc; Tinant, Bernard; Declercq, Jean-Paul; Dutasta, Jean-Pierre

A Macrobicyclic Thiophosphonamide Polyether Ligand

Acta Crystallographica, Section C: Crystal Structure Communications

1,995

51

1

80

84

10.1107/S0108270194003914

0.71069

MolybdenumKα

0.086

0.056

null

0.1607

0.1511

null

1.063

1.19

null

has coordinates

Van Oostenryck, Luc; Tinant, Bernard; Declercq, Jean-Paul; Dutasta, Jean-Pierre A Macrobicyclic Thiophosphonamide Polyether Ligand Acta Crystallographica, Section C: Crystal Structure Communications 51(1) (1995) 80-84

269,316

2021-09-26

23:26:48

#------------------------------------------------------------------------------ #$Date: 2021-09-27 02:26:45 +0300 (Mon, 27 Sep 2021) $ #$Revision: 269316 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/31/2003170.cif $ #-------------------------------------------------------------------...

2,003,171

6.4

0.001

10.767

0.001

11.203

0.002

91.62

0.01

91.34

0.02

102.2

0.2

753.9

0.2

295

2

null

4

P -1

-P 1

2

- C15 H23 N2 O3 -

- C30 H46 N4 O6 -

2

1

KA1059

Tomasz A. Olszak; Piotr H. Sobczynski; Andrzej M. Brzozowski; Mieczyslaw J. Grabowski; Krzysztof Gwozdzinski

Piperidine Nitroxide Radicals with Heterocyclic Ring Substituents. 4-Hydroxy-2,2,6,6-tetramethyl-4-(2-pyridylmethyl 1-oxide)piperidine 1-Oxide

Acta Crystallographica C

1,995

51

1

121

123

10.1107/S0108270194007791

1.54178

CuKα

null

has coordinates

Tomasz A. Olszak; Piotr H. Sobczynski; Andrzej M. Brzozowski; Mieczyslaw J. Grabowski; Krzysztof Gwozdzinski Piperidine Nitroxide Radicals with Heterocyclic Ring Substituents. 4-Hydroxy-2,2,6,6-tetramethyl-4-(2-pyridylmethyl 1-oxide)piperidine 1-Oxide Acta Crystallographica C 51(1) (1995) 121-123

208,360

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2018-06-14 04:32:00 +0300 (Thu, 14 Jun 2018) $ #$Revision: 208360 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/31/2003171.cif $ #-------------------------------------------------------------------...

2,003,172

16.15

0.006

16.842

0.009

19.599

0.007

69.02

0.05

80.85

0.04

70.91

0.06

4,698

null

293

null

3

P -1

-P 1

2

- C54 H54 O12 -

- C216 H216 O48 -

4

2

PA1110

Khrifi, Saad; Guelzim, Abdelhalim; Baert, Francois; Mussrabi, Mamoun; Asfari, Zouhair; Vicens, Jacques

7,15,23-Triphenyl-25,26,27-triethylester-2,3,10,11,18,19-hexahomo-3,9,11-trioxacalix[3]arene in a Partial-Cone Conformation

Acta Crystallographica, Section C: Crystal Structure Communications

1,995

51

1

153

157

10.1107/s0108270194008036

0.71063

MoKα

null

0.059

null

0.059

null

has coordinates

Khrifi, Saad; Guelzim, Abdelhalim; Baert, Francois; Mussrabi, Mamoun; Asfari, Zouhair; Vicens, Jacques 7,15,23-Triphenyl-25,26,27-triethylester-2,3,10,11,18,19-hexahomo-3,9,11-trioxacalix[3]arene in a Partial-Cone Conformation Acta Crystallographica, Section C: Crystal Structure Communications 51(1) (1995) 153-157

303,005

2025-10-27

14:04:45

#------------------------------------------------------------------------------ #$Date: 2025-10-27 16:04:41 +0200 (Mon, 27 Oct 2025) $ #$Revision: 303005 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/31/2003172.cif $ #-------------------------------------------------------------------...

2,003,173

36.394

0.001

7.3674

0.0005

31.006

0.002

90

null

90

null

90

null

8,313.6

0.8

293

null

293

null

4

F d d d :2

-F 2uv 2vw

70

calcium_zirconium_tantalum_oxide

- Ca7 O36 Ta6 Zr7 -

- Ca6.98667 O36 Ta5.94667 Zr7.06667 -

- Ca83.84 O432 Ta71.36 Zr84.8 -

12

0.375

BR0081

Schmid, Siegbert; Thompson, John G.; Withers, Ray L.; Ling, Christopher D.; Ishizawa, Nobuo; Kishimoto, Shunji

The crystal structure of Ca~7~Zr~7~Ta~6~O~36~ refined using synchrotron-radiation data

Acta Crystallographica Section B

1,999

55

3

313

320

10.1107/S0108768198014268

1.2682

xray

0.047

0.031

null

0.038

0.034

null

1.379

1.508

null

has coordinates

Schmid, Siegbert; Thompson, John G.; Withers, Ray L.; Ling, Christopher D.; Ishizawa, Nobuo; Kishimoto, Shunji The crystal structure of Ca~7~Zr~7~Ta~6~O~36~ refined using synchrotron-radiation data Acta Crystallographica Section B 55(3) (1999) 313-320

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/2/00/31/2003173.cif $ #-------------------------------------------------------------------...

4,322,413

19.903

0.002

10.572

0.004

19.111

0.003

90

null

112.939

0.009

90

null

3,703.2

1.6

293

2

293

2

null

8

P 1 21/c 1

-P 2ybc

14

- C32 H38 F3 Fe N3 O2 Si4 Ti -

- C128 H152 F12 Fe4 N12 O8 Si16 Ti4 -

4

1

Lutz H. Gade; Martin Schubart; Bernd Findeis; Sylvie Fabre; Izoldi Bezougli; Matthias Lutz; Ian J. Scowen; Mary McPartlin

Synthesis and Reactivity of Early-Late Heterodinuclear Complexes Stabilized by a Trisilylsilane-Based Tripodal Amido Ligand

Inorganic Chemistry

1,999

38

5282

5294

10.1021/ic990562n

0.71073

MoKα

0.2591

0.0974

null

0.1248

0.1574

null

0.922

null

has coordinates,has disorder

Lutz H. Gade; Martin Schubart; Bernd Findeis; Sylvie Fabre; Izoldi Bezougli; Matthias Lutz; Ian J. Scowen; Mary McPartlin Synthesis and Reactivity of Early-Late Heterodinuclear Complexes Stabilized by a Trisilylsilane-Based Tripodal Amido Ligand Inorganic Chemistry 38 (1999) 5282-5294

179,327

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:25:49 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179327 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/24/4322413.cif $ #-------------------------------------------------------------------...

2,003,174

8.2513

0.0008

10.5006

0.0013

9.309

0.0008

90

null

102.849

0.011

90

null

786.37

0.14

293

2

null

4

P 1 21 1

P 2yb

4

- C18 H16 O3 S -

- C36 H32 O6 S2 -

2

1

PA1114

R. Retoux; L. Girodier; F. Rouessac

(-)-(S,S)-[alpha]-Phenyl-2-(p-tolylsulfinyl)-3-furanmethanol

Acta Crystallographica C

1,995

51

1

146

148

10.1107/S0108270194006050

0.71069

MoKα

null

2,000,008

null

has coordinates

R. Retoux; L. Girodier; F. Rouessac (-)-(S,S)-[alpha]-Phenyl-2-(p-tolylsulfinyl)-3-furanmethanol Acta Crystallographica C 51(1) (1995) 146-148

287,519

2023-11-10

19:29:21

#------------------------------------------------------------------------------ #$Date: 2023-11-10 21:21:08 +0200 (Fri, 10 Nov 2023) $ #$Revision: 287519 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/31/2003174.cif $ #-------------------------------------------------------------------...

2,003,175

8.6439

0.0004

19.5142

0.0007

10.5033

0.0004

90

null

101.723

0.004

90

null

1,734.74

0.12

293

2

null

4

P 1 21/c 1

-P 2ybc

14

- C21 H18 N2 O2 -

- C84 H72 N8 O8 -

4

1

PA1117

Piotr K. Olszewski; Katarzyna Stadnicka

Two Centrosymmetric Conjugated Nitrones of the Diazabutadiene System

Acta Crystallographica C

1,995

51

1

98

103

10.1107/S0108270194007742

1.54056

CuKα~1~

null

has coordinates

Piotr K. Olszewski; Katarzyna Stadnicka Two Centrosymmetric Conjugated Nitrones of the Diazabutadiene System Acta Crystallographica C 51(1) (1995) 98-103

301,791

2025-08-18

23:15:22

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2,003,176

8.989

0.003

9.6878

0.0011

41.67

0.004

90

null

90

null

90

null

3,628.8

1.3

293

2

null

4

P b c a

-P 2ac 2ab

61

- C22 H21 N3 O -

- C176 H168 N24 O8 -

8

1

Olszewski, Piotr K.; Stadnicka, Katarzyna

Two Centrosymmetric Conjugated Nitrones of the Diazabutadiene System

Acta Crystallographica, Section C: Crystal Structure Communications

1,995

51

1

98

103

10.1107/S0108270194007742

1.54056

CuKα~1~

null

has coordinates

Olszewski, Piotr K.; Stadnicka, Katarzyna Two Centrosymmetric Conjugated Nitrones of the Diazabutadiene System Acta Crystallographica, Section C: Crystal Structure Communications 51(1) (1995) 98-103

301,791

2025-08-18

23:15:22

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2,003,177

7.968

0.0014

8.1104

0.0011

23.761

0.003

90

null

90

null

90

null

1,535.5

0.4

293

2

null

4

P 21 21 21

P 2ac 2ab

19

- C16 H20 O3 S -

- C64 H80 O12 S4 -

4

1

Retoux, R.; Hayes, P.; Maignan, C.

(5S,SS)-7-Methyl-8-p-toluenesulfinyl-1,6-dioxaspiro[4.5]dec-7-ene

Acta Crystallographica, Section C: Crystal Structure Communications

1,995

51

1

93

94

10.1107/S0108270194007298

0.71069

MoKα

null

2,000,012

null

has coordinates

Retoux, R.; Hayes, P.; Maignan, C. (5S,SS)-7-Methyl-8-p-toluenesulfinyl-1,6-dioxaspiro[4.5]dec-7-ene Acta Crystallographica, Section C: Crystal Structure Communications 51(1) (1995) 93-94

287,519

2023-11-10

19:29:21

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2,003,178

8.5143

0.0007

11.8171

0.0006

14.752

0.0009

90

null

90

null

90

null

1,484.3

0.2

293

2

null

5

P 21 21 21

P 2ac 2ab

19

- C16 H17 N O3 S -

- C64 H68 N4 O12 S4 -

4

1

Gosselin, P.; Bonfand, E.; Maignan, C.; Retoux, R.

The Diels-Alder Adduct of an Enantiopure 2-Sulfinyldiene and Maleimide: (1S,2R,3S,R~s~)-3-Methyl-5-p-toluenesulfinylcyclohex-4-en-1,2-dicarboximide

Acta Crystallographica, Section C: Crystal Structure Communications

1,995

51

1

94

96

10.1107/S0108270194007304

0.71069

MoKα

null

has coordinates

Gosselin, P.; Bonfand, E.; Maignan, C.; Retoux, R. The Diels-Alder Adduct of an Enantiopure 2-Sulfinyldiene and Maleimide: (1S,2R,3S,R~s~)-3-Methyl-5-p-toluenesulfinylcyclohex-4-en-1,2-dicarboximide Acta Crystallographica, Section C: Crystal Structure Communications 51(1) (1995) 94-96

200,786

2020-10-21

18:00:00

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4,322,412

11.3944

0.0009

13.196

0.002

19.528

0.0014

90

null

96.191

0.005

90

null

2,919.1

0.5

293

2

293

2

null

7

P 1 21/n 1

-P 2yn

14

- C23 H34 N2 O4 Ru2 Si2 Zr -

- C23 H24 N2 O4 Ru2 Si2 Zr -

- C92 H96 N8 O16 Ru8 Si8 Zr4 -

4

1

Lutz H. Gade; Stefan Friedrich; Dominique J. M. Trösch; Ian J. Scowen; Mary McPartlin

Heterodi- and Heterotrinuclear Complexes Containing Highly Polar Metal-Metal Bonds

Inorganic Chemistry

1,999

38

5295

5307

10.1021/ic990350q

1.54178

CuKα

0.0421

0.0379

null

0.0961

0.0989

null

1.111

null

has coordinates,has disorder

Lutz H. Gade; Stefan Friedrich; Dominique J. M. Trösch; Ian J. Scowen; Mary McPartlin Heterodi- and Heterotrinuclear Complexes Containing Highly Polar Metal-Metal Bonds Inorganic Chemistry 38 (1999) 5295-5307

179,327

2020-10-21

18:00:00

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2,003,179

5.607

0.002

10.954

0.003

27.452

0.015

90

null

90

null

90

null

1,686.1

1.1

293

null

4

P 21 21 21

P 2ac 2ab

19

- C20 H20 N2 O3 -

- C80 H80 N8 O12 -

4

1

Chiaroni, Angèle; Deyine, Abdallah; Griffard-Brunet, Dominique; Langlois, Nicole; Riche, Claude

(3aS,3bR,6R,7aR)-2-Benzyl-1,2,3a,3b,4,7a-hexahydro-6-phenyl-3,5-dioxa- 2,6a-diazacyclopenta[a]pentalen-7-one

Acta Crystallographica, Section C: Crystal Structure Communications

1,995

51

1

91

93

10.1107/S0108270194007316

1.5418

CuKα

null

0.037

null

0.052

null

1.04

null

has coordinates

Chiaroni, Angèle; Deyine, Abdallah; Griffard-Brunet, Dominique; Langlois, Nicole; Riche, Claude (3aS,3bR,6R,7aR)-2-Benzyl-1,2,3a,3b,4,7a-hexahydro-6-phenyl-3,5-dioxa- 2,6a-diazacyclopenta[a]pentalen-7-one Acta Crystallographica, Section C: Crystal Structure Communications 51(1) (1995) 91-93

200,786

2020-10-21

18:00:00

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2,003,180

13.665

0.001

14.68

0.002

19.539

0.002

94.965

0.006

104.131

0.007

90.482

0.008

3,784.9

0.7

193

2

null

4

P -1

-P 1

2

- C68 H11 Cl3 O4 -

- C272 H44 Cl12 O16 -

4

2

SE1063

E. F. Paulus; C. Bingel

Diethyl Methano-C~60~-fullerene-61,61-dicarboxylate Chloroform Solvate at 193 K, C~60~C(CO~2~C~2~H~5~)~2~.CHCl~3~

Acta Crystallographica C

1,995

51

1

143

146

10.1107/S0108270194009728

0.71073

MoKα

null

has coordinates

E. F. Paulus; C. Bingel Diethyl Methano-C~60~-fullerene-61,61-dicarboxylate Chloroform Solvate at 193 K, C~60~C(CO~2~C~2~H~5~)~2~.CHCl~3~ Acta Crystallographica C 51(1) (1995) 143-146

130,149

2020-10-21

18:00:00

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2,003,181

16.492

0.004

9.483

0.003

7.025

0.002

90

0.02

90

0.02

90

0.02

1,098.7

0.5

293

null

4

P 21 21 21

P 2ac 2ab

19

- C13 H15 N O2 -

- C52 H60 N4 O8 -

4

1

Luger, Peter; Weber, Manuela; Dung, Nguyen Xuan; Ky, Pham Thanh; Long, Phan Ke

Securinine, an Alkaloid from Fluggea virosa

Acta Crystallographica, Section C: Crystal Structure Communications

1,995

51

1

127

129

10.1107/S0108270194007857

1.5418

CuKα

null

0.036

null

0.029

0.026

null

1.604

1.717

null

has coordinates

Luger, Peter; Weber, Manuela; Dung, Nguyen Xuan; Ky, Pham Thanh; Long, Phan Ke Securinine, an Alkaloid from Fluggea virosa Acta Crystallographica, Section C: Crystal Structure Communications 51(1) (1995) 127-129

200,786

2020-10-21

18:00:00

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2,003,182

3.4603

0.0005

6.1972

0.0009

9.548

0.002

90

null

103.47

0.01

90

null

199.12

0.06

300

2

null

3

P 1 21/c 1

-P 2ybc

14

- C2 Ag2 O4 -

- C4 Ag4 O8 -

2

0.5

VS1014

Dmitry Yu. Naumov; Alexander V. Virovets; Nina V. Podberezskaya; Elena V. Boldyreva

Silver Oxalate, 2Ag^+^.C~2~O~4~^2-^

Acta Crystallographica C

1,995

51

1

60

62

10.1107/S0108270194008188

1.54178

CuKα

null

0.0259

null

0.0541

0.0519

null

1.129

1.188

null

has coordinates

Dmitry Yu. Naumov; Alexander V. Virovets; Nina V. Podberezskaya; Elena V. Boldyreva Silver Oxalate, 2Ag^+^.C~2~O~4~^2-^ Acta Crystallographica C 51(1) (1995) 60-62

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/2/00/31/2003182.cif $ #-------------------------------------------------------------------...

2,003,183

8.785

0.002

11.233

0.002

14.555

0.003

72.47

0.01

84.54

0.01

69.54

0.01

1,283.1

0.5

153

1

null

6

P -1

-P 1

2

- C26 H22 N4 O7 Pd S -

- C28 H16 N4 O8 Pd S2 -

- C56 H32 N8 O16 Pd2 S4 -

2

1

Törnroos, Karl W.

A Dinitrato(diphenylphenanthroline)palladium(II) Complex

Acta Crystallographica, Section C: Crystal Structure Communications

1,995

51

2

238

242

10.1107/S0108270194008887

0.71073

MoKα

null

has coordinates

Törnroos, Karl W. A Dinitrato(diphenylphenanthroline)palladium(II) Complex Acta Crystallographica, Section C: Crystal Structure Communications 51(2) (1995) 238-242

200,787

2020-10-21

18:00:00

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2,003,184

9.325

0.001

11.474

0.002

17.418

0.003

90

null

90

null

90

null

1,863.6

0.5

293

2

null

4

P 21 21 21

P 2ac 2ab

19

- C21 H26 N2 O4 -

- C84 H104 N8 O16 -

4

1

Lewinski, Krzysztof; Nitek, Wojciech; Oleksyn, Barbara J.; Stec, Boguslaw

Quitenine Ethyl Ester

Acta Crystallographica, Section C: Crystal Structure Communications

1,995

51

2

282

285

10.1107/S0108270194010243

1.54178

CuKα

null

0.0335

null

0.0946

0.0914

null

1.029

1.045

null

has coordinates

Lewinski, Krzysztof; Nitek, Wojciech; Oleksyn, Barbara J.; Stec, Boguslaw Quitenine Ethyl Ester Acta Crystallographica, Section C: Crystal Structure Communications 51(2) (1995) 282-285

301,791

2025-08-18

23:15:22

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2,003,185

9.685

0.003

7.128

0.002

13.572

0.004

90

null

99.78

0.02

90

null

923.3

0.5

293

2

null

5

P 1 21/a 1

-P 2yab

14

- C7 H9 F3 N2 O2 -

- C28 H36 F12 N8 O8 -

4

1

Tinant, Bernard; Declercq, Jean-Paul; Bouillon, Jean-Philippe

Oxime of 1-Methyl-3-trifluoroacetylpyrrolidin-2-one

Acta Crystallographica, Section C: Crystal Structure Communications

1,995

51

2

270

272

10.1107/S0108270194010930

0.71069

MoKα

null

has coordinates

Tinant, Bernard; Declercq, Jean-Paul; Bouillon, Jean-Philippe Oxime of 1-Methyl-3-trifluoroacetylpyrrolidin-2-one Acta Crystallographica, Section C: Crystal Structure Communications 51(2) (1995) 270-272

301,791

2025-08-18

23:15:22

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2,003,186

8.189

0.003

5.047

0.001

11.305

0.005

90

null

96.12

0.02

90

null

464.6

0.5

293

null

4

P 1 21 1

P 2yb

4

- C7 H13 N3 O3 -

- C14 H26 N6 O6 -

2

1

AS1117

Puliti, Raffaella; Mattia, Carlo Andrea

N-Acetylglycyl-L-alaninamide and N-Acetyl-L-alanyl-L-alaninamide

Acta Crystallographica, Section C: Crystal Structure Communications

1,995

51

2

336

339

10.1107/s0108270194008577

1.54056

CuKα

null

0.03

null

0.033

null

has coordinates

Puliti, Raffaella; Mattia, Carlo Andrea N-Acetylglycyl-L-alaninamide and N-Acetyl-L-alanyl-L-alaninamide Acta Crystallographica, Section C: Crystal Structure Communications 51(2) (1995) 336-339

301,791

2025-08-18

23:15:22

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2,003,187

5.5005

0.0004

9.429

0.001

20.712

0.002

90

null

90

null

90

null

1,074.2

0.3

293

null

4

P 21 21 21

P 2ac 2ab

19

- C8 H15 N3 O3 -

- C32 H60 N12 O12 -

4

1

AS1117

Puliti, Raffaella; Mattia, Carlo Andrea

N-Acetylglycyl-L-alaninamide and N-Acetyl-L-alanyl-L-alaninamide

Acta Crystallographica, Section C: Crystal Structure Communications

1,995

51

2

336

339

10.1107/s0108270194008577

1.54056

CuKα

null

0.036

null

0.04

null

0.97

null

has coordinates

Puliti, Raffaella; Mattia, Carlo Andrea N-Acetylglycyl-L-alaninamide and N-Acetyl-L-alanyl-L-alaninamide Acta Crystallographica, Section C: Crystal Structure Communications 51(2) (1995) 336-339

301,791

2025-08-18

23:15:22

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2,003,188

10.3118

0.0007

11.5912

0.0006

7.1818

0.0006

90

null

90

null

90

null

858.41

0.08

293

null

20

null

5

P 21 21 21

P 2ac 2ab

19

- C6 H12 Cl N O3 -

- C6 H11 Cl N O3 -

- C24 H44 Cl4 N4 O12 -

4

1

AS1139

Jones, Graham P.; Paleg, Leslie G.; Waisel, Yoav; Solomon, Aaron; Beer, Sven; Tiekink, Edward R. T.

trans-3-Hydroxy-N-methyl-L-proline Hydrochloride

Acta Crystallographica, Section C: Crystal Structure Communications

1,995

51

2

287

289

10.1107/S0108270194009431

1.5418

CuKα

null

0.05

null

0.059

null

4.25

null

has coordinates

Jones, Graham P.; Paleg, Leslie G.; Waisel, Yoav; Solomon, Aaron; Beer, Sven; Tiekink, Edward R. T. trans-3-Hydroxy-N-methyl-L-proline Hydrochloride Acta Crystallographica, Section C: Crystal Structure Communications 51(2) (1995) 287-289

209,634

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2018-08-12 21:45:34 +0300 (Sun, 12 Aug 2018) $ #$Revision: 209634 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/31/2003188.cif $ #-------------------------------------------------------------------...

2,003,189

9.347

0.008

4.772

0.007

12.967

0.005

90

null

90.49

0.05

90

null

578.3

0.8

23

null

4

P 1 21 1

P 2yb

4

- C9 H16 N4 O5 -

- C18 H32 N8 O10 -

2

1

Delaere, Ian M.; Tate, Max E.; Jones, Graham P.; Tiekink, Edward R. T.

N-γ-L-Glutamyl-β-cyano-L-alanine, an Antinutritional Factor ex Vicia sativa L., as its Ammonium Salt

Acta Crystallographica, Section C: Crystal Structure Communications

1,995

51

2

289

291

10.1107/S0108270194009443

0.7107

MoKα

null

has coordinates

Delaere, Ian M.; Tate, Max E.; Jones, Graham P.; Tiekink, Edward R. T. N-γ-L-Glutamyl-β-cyano-L-alanine, an Antinutritional Factor ex Vicia sativa L., as its Ammonium Salt Acta Crystallographica, Section C: Crystal Structure Communications 51(2) (1995) 289-291

200,787

2020-10-21

18:00:00

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2,003,190

20.503

0.003

13.436

0.002

22.916

0.004

90

null

112.357

0.014

90

null

5,838.3

1.6

295

null

4

C 1 2/c 1

-C 2yc

15

- C30 H39 Cl Sn -

- C240 H312 Cl8 Sn8 -

8

1

BK1044

Wharf, I.; Simard, M. G.; McGinn, K.

Tris(4-tert-butylphenyl)chlorotin(IV)

Acta Crystallographica, Section C: Crystal Structure Communications

1,995

51

2

236

238

10.1107/S010827019400987X

1.5418

CuKα

null

0.051

null

0.054

null

2.94

null

has coordinates

Wharf, I.; Simard, M. G.; McGinn, K. Tris(4-tert-butylphenyl)chlorotin(IV) Acta Crystallographica, Section C: Crystal Structure Communications 51(2) (1995) 236-238

209,641

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2018-08-13 02:09:32 +0300 (Mon, 13 Aug 2018) $ #$Revision: 209641 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/31/2003190.cif $ #-------------------------------------------------------------------...

2,003,191

9.415

0.002

11.539

0.003

13.388

0.002

72.18

0.01

79.37

0.01

76.9

0.03

1,338.2

0.5

294

null

294

null

6

P -1

-P 1

2

(η^5^-Cyclopentadienyl)[η^2^-diphenyl(o-phenylene)methyl] oxo(trimethylsilylmethylthio)tungsten(VI)

- C29 H32 O S Si W -

- C58 H64 O2 S2 Si2 W2 -

2

1

BK1047

Brunet, Nathalie; Legzdins, Peter; Trotter, James; Yee, Vivien C.

(η5-Cyclopentadienyl)[2-(1,1-diphenylethyl-C^2^)phenyl-C^1^]oxo (trimethylsilylmethylthio)tungsten, [WO(C~4~H~11~SSi)(C~5~H~5~)(C~20~H~16~)]

Acta Crystallographica, Section C: Crystal Structure Communications

1,995

51

2

193

195

10.1107/S0108270194007079

0.7093

MolybdenumKα~1~

0.04

0.027

null

0.032

null

1.25

null

has coordinates

Brunet, Nathalie; Legzdins, Peter; Trotter, James; Yee, Vivien C. (η5-Cyclopentadienyl)[2-(1,1-diphenylethyl-C^2^)phenyl-C^1^]oxo (trimethylsilylmethylthio)tungsten, [WO(C~4~H~11~SSi)(C~5~H~5~)(C~20~H~16~)] Acta Crystallographica, Section C: Crystal Structure Communications 51(2) (1995) 193-195

190,981

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-01-26 16:32:30 +0200 (Thu, 26 Jan 2017) $ #$Revision: 190981 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/31/2003191.cif $ #-------------------------------------------------------------------...

2,003,192

7.889

0.001

19.49

0.003

8.559

0.001

90

null

101.7

0.01

90

null

1,288.7

0.6

295

null

3

P 1 21/c 1

-P 2ybc

14

- C14 H22 O3 -

- C56 H88 O12 -

4

1

Park, Kwangyong; Swenson, Dale C.; Scott, William J.; Wiemer, David F.

(1β,5α,6β)-10,10-(1,2-Ethylenedioxy)-1,5-di-methylbicyclo [4.4.0]decan-4-one

Acta Crystallographica, Section C: Crystal Structure Communications

1,995

51

2

268

270

10.1107/S0108270194008759

0.71073

MoKα

null

0.046

null

0.072

null

1.43

null

has coordinates

Park, Kwangyong; Swenson, Dale C.; Scott, William J.; Wiemer, David F. (1β,5α,6β)-10,10-(1,2-Ethylenedioxy)-1,5-di-methylbicyclo [4.4.0]decan-4-one Acta Crystallographica, Section C: Crystal Structure Communications 51(2) (1995) 268-270

208,377

2020-10-21

18:00:00

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2,003,193

26.377

0.004

8.297

0.002

9.994

0.002

90

null

90

null

90

null

2,187.2

0.8

298

null

4

P b c a

null

- C9 H15 O5 P -

- C72 H120 O40 P8 -

8

1

Lane, Thomas M.; Rodriguez, Oscar P.; Sommese, Anthony G.; Cremer, Sheldon E.; Bennett, Dennis W.

cis-6-Methoxycarbonyl-2,10-dioxa-1-phosphabicyclo[4.4.0]decane 1-Oxide

Acta Crystallographica, Section C: Crystal Structure Communications

1,995

51

2

251

253

10.1107/S0108270194008607

0.71069

MoKα

null

0.034

null

0.055

null

2.55

null

has coordinates

Lane, Thomas M.; Rodriguez, Oscar P.; Sommese, Anthony G.; Cremer, Sheldon E.; Bennett, Dennis W. cis-6-Methoxycarbonyl-2,10-dioxa-1-phosphabicyclo[4.4.0]decane 1-Oxide Acta Crystallographica, Section C: Crystal Structure Communications 51(2) (1995) 251-253

200,787

2020-10-21

18:00:00

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2,003,194

8.204

0.003

8.204

0.003

4.159

0.001

90

null

90

null

120

null

242.42

0.14

291

2

null

4

P 3 2 1

P 3 2"

150

- Br2 H12 O6 Sr -

1

0.166667

Abrahams, Isaac; Vordemvenne, Elke

Strontium Dibromide Hexahydrate

Acta Crystallographica, Section C: Crystal Structure Communications

1,995

51

2

183

185

10.1107/S0108270194010796

0.71069

MoKα

null

2,010,444

null

has coordinates

Abrahams, Isaac; Vordemvenne, Elke Strontium Dibromide Hexahydrate Acta Crystallographica, Section C: Crystal Structure Communications 51(2) (1995) 183-185

200,787

2020-10-21

18:00:00

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2,003,195

10.0416

0.0004

8.0285

0.0003

4.8553

0.0002

90

null

90

null

90

null

391.43

0.04

298

2

null

5

P n a 21

P 2c -2n

33

- As Be H2 Li O5 -

- As4 Be4 H8 Li4 O20 -

4

1

Harrison, William T. A.; Gier, Thurman E.; Stucky, Galen D.

Lithium Berylloarsenate Hydrate, LiBeAsO~4~.H~2~O

Acta Crystallographica, Section C: Crystal Structure Communications

1,995

51

2

181

183

10.1107/S0108270194010061

1.54178

CopperKα

null

has coordinates

Harrison, William T. A.; Gier, Thurman E.; Stucky, Galen D. Lithium Berylloarsenate Hydrate, LiBeAsO~4~.H~2~O Acta Crystallographica, Section C: Crystal Structure Communications 51(2) (1995) 181-183

200,787

2020-10-21

18:00:00

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2,003,196

10.026

0.004

9.23

0.003

16.943

0.007

90

null

97.3

0.03

90

null

1,555.2

1

173

1

null

4

P 1 21/c 1

-P 2ybc

14

- C17 H17 N5 O -

- C68 H68 N20 O4 -

4

1

Lynch, Vincent M.; Hulme, Christopher; Magnus, Philip; Davis, Brian E.

Novel N-Acyl α-Azidopyrrolidines (N-Acyliminium-Ion Precursors)

Acta Crystallographica, Section C: Crystal Structure Communications

1,995

51

2

262

265

10.1107/S0108270194005676

0.71073

MoKα

null

0.0489

null

0.0575

0.0499

null

1.329

null

has coordinates

Lynch, Vincent M.; Hulme, Christopher; Magnus, Philip; Davis, Brian E. Novel N-Acyl α-Azidopyrrolidines (N-Acyliminium-Ion Precursors) Acta Crystallographica, Section C: Crystal Structure Communications 51(2) (1995) 262-265

208,377

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2018-06-14 15:53:24 +0300 (Thu, 14 Jun 2018) $ #$Revision: 208377 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/31/2003196.cif $ #-------------------------------------------------------------------...

4,322,411

9.646

0.004

10.899

0.005

9.439

0.003

94.12

0.04

118.89

0.03

65.26

0.03

778.4

0.7

293

2

293

2

null

5

P -1

-P 1

2

- C12 H27 N O2 Te -

- C24 H54 N2 O4 Te2 -

2

1

Tristram Chivers; Gary D. Enright; Nicole Sandblom; Gabriele Schatte; Masood Parvez

Synthesis and Reactions of tert-Butylimidotellurium Dihalides: X-ray Structures of [Cl2Te(μ-NtBu)2TeCl2]3 and (tBuO)2Te(μ-NtBu)2Te(OtBu)2

Inorganic Chemistry

1,999

38

5431

5436

10.1021/ic990849k

0.71069

MoKα

0.0398

0.0353

null

0.0936

0.0966

null

1.129

null

has coordinates,has disorder

Tristram Chivers; Gary D. Enright; Nicole Sandblom; Gabriele Schatte; Masood Parvez Synthesis and Reactions of tert-Butylimidotellurium Dihalides: X-ray Structures of [Cl2Te(μ-NtBu)2TeCl2]3 and (tBuO)2Te(μ-NtBu)2Te(OtBu)2 Inorganic Chemistry 38 (1999) 5431-5436

301,838

2025-08-20

22:17:37

#------------------------------------------------------------------------------ #$Date: 2025-08-21 01:01:10 +0300 (Thu, 21 Aug 2025) $ #$Revision: 301838 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/24/4322411.cif $ #-------------------------------------------------------------------...

2,003,197

10.198

0.002

18.087

0.003

10.232

0.002

90

null

119.77

0.01

90

null

1,638.2

0.6

173

1

null

4

P 1 21/c 1

-P 2ybc

14

- C14 H17 N7 O4 -

- C56 H68 N28 O16 -

4

1

Lynch, Vincent M.; Hulme, Christopher; Magnus, Philip; Davis, Brian E.

Novel N-Acyl α-Azidopyrrolidines (N-Acyliminium-Ion Precursors)

Acta Crystallographica, Section C: Crystal Structure Communications

1,995

51

2

262

265

10.1107/S0108270194005676

0.71073

MoKα

null

0.04

null

0.0473

0.0411

null

1.213

null

has coordinates

Lynch, Vincent M.; Hulme, Christopher; Magnus, Philip; Davis, Brian E. Novel N-Acyl α-Azidopyrrolidines (N-Acyliminium-Ion Precursors) Acta Crystallographica, Section C: Crystal Structure Communications 51(2) (1995) 262-265

208,377

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2018-06-14 15:53:24 +0300 (Thu, 14 Jun 2018) $ #$Revision: 208377 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/31/2003197.cif $ #-------------------------------------------------------------------...

2,003,198

7.058

0.007

18.962

0.007

17.05

0.02

90

null

90.92

0.09

90

null

2,281

2

273.2

null

7

P 1 21/n 1

-P 2yn

14

- C15 H30 Cl3 N2 O Re S2 -

- C60 H120 Cl12 N8 O4 Re4 S8 -

4

1

FG1012

Trevor W. Hambley; Robert K. Knott; Timothy W. Jackson; Masaharu Kojima; Richard M. Lambrecht

[3,10-Diethyl-5,8-diazadodecane-3,10-dithiolato-(3-)-N,N',S,S']oxorhenium(IV) Chloroform Solvate

Acta Crystallographica C

1,995

51

2

203

205

10.1107/S0108270194007651

0.7109

MoKα

null

has coordinates

Trevor W. Hambley; Robert K. Knott; Timothy W. Jackson; Masaharu Kojima; Richard M. Lambrecht [3,10-Diethyl-5,8-diazadodecane-3,10-dithiolato-(3-)-N,N',S,S']oxorhenium(IV) Chloroform Solvate Acta Crystallographica C 51(2) (1995) 203-205

278,324

2022-10-03

14:41:53

#------------------------------------------------------------------------------ #$Date: 2022-10-03 17:40:12 +0300 (Mon, 03 Oct 2022) $ #$Revision: 278324 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/31/2003198.cif $ #-------------------------------------------------------------------...

2,003,199

5.166

0.002

20.282

0.002

15.513

0.003

90

null

96.41

0.03

90

null

1,615.2

0.5

294

null

3

P 1 21 1

P 2yb

4

- C20 H16 O7 -

- C80 H64 O28 -

4

2

Chan, Simon; Trotter, James

Aversin

Acta Crystallographica, Section C: Crystal Structure Communications

1,995

51

2

272

274

10.1107/S0108270194010589

1.5418

CuKα

null

0.063

null

0.085

0.079

null

1.47

null

has coordinates

Chan, Simon; Trotter, James Aversin Acta Crystallographica, Section C: Crystal Structure Communications 51(2) (1995) 272-274

200,787

2020-10-21

18:00:00

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2,003,200

4.533

0.001

16.537

0.003

12.687

0.003

90

null

97.22

0.03

90

null

943.5

0.3

569

2

null

4

P 1 21/n 1

-P 2yn

14

- C13 H9 N O -

- C52 H36 N4 O4 -

4

1

Potts, Graham D.; Jones, William

9(10H)-Acridone

Acta Crystallographica, Section C: Crystal Structure Communications

1,995

51

2

267

268

10.1107/S0108270194008565

0.71073

MoKα

null

has coordinates

Potts, Graham D.; Jones, William 9(10H)-Acridone Acta Crystallographica, Section C: Crystal Structure Communications 51(2) (1995) 267-268

301,791

2025-08-18

23:15:22

#------------------------------------------------------------------------------ #$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/2/00/32/2003200.cif $ #-------------------------------------------------------------------...

2,003,201

11.061

0.001

12.171

0.001

14.334

0.002

95.2

0.008

92.094

0.009

105.191

0.008

1,851

0.4

298

null

298

null

5

P -1

-P 1

2

trans-bromo-ortho-tolyl-bis(triphenylphosphine)palladium(II)

- C43 H37 Br P2 Pd -

- C86 H74 Br2 P4 Pd2 -

2

1

HA1125

Cross, Ronald J.; Kennedy, Alan R.; Muir, Kenneth W.

trans-Bromo(o-tolyl)bis(triphenylphosphine)palladium(II) from Crystals With and Without Stacking Faults

Acta Crystallographica Section C

1,995

51

2

208

210

10.1107/S0108270194009042

0.71073

MoKα

null

0.051

null

0.054

null

1.7

null

has coordinates

Cross, Ronald J.; Kennedy, Alan R.; Muir, Kenneth W. trans-Bromo(o-tolyl)bis(triphenylphosphine)palladium(II) from Crystals With and Without Stacking Faults Acta Crystallographica Section C 51(2) (1995) 208-210

175,111

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-01-27 04:20:33 +0200 (Wed, 27 Jan 2016) $ #$Revision: 175111 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/32/2003201.cif $ #-------------------------------------------------------------------...

2,003,202

11.0691

0.0004

12.1779

0.0011

14.338

0.0007

95.161

0.006

92.072

0.004

105.199

0.006

1,854

0.2

299

null

299

null

5

P -1

-P 1

2

trans-bromo-ortho-tolyl-bis(triphenylphosphine)palladium(II)

- C43 H37 Br P2 Pd -

- C86 H74 Br2 P4 Pd2 -

2

1

HA1125

Cross, Ronald J.; Kennedy, Alan R.; Muir, Kenneth W.

trans-Bromo(o-tolyl)bis(triphenylphosphine)palladium(II) from Crystals With and Without Stacking Faults

Acta Crystallographica Section C

1,995

51

2

208

210

10.1107/S0108270194009042

0.71073

MoKα

null

0.06

null

0.095

null

3.6

null

has coordinates

Cross, Ronald J.; Kennedy, Alan R.; Muir, Kenneth W. trans-Bromo(o-tolyl)bis(triphenylphosphine)palladium(II) from Crystals With and Without Stacking Faults Acta Crystallographica Section C 51(2) (1995) 208-210

175,111

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-01-27 04:20:33 +0200 (Wed, 27 Jan 2016) $ #$Revision: 175111 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/32/2003202.cif $ #-------------------------------------------------------------------...

4,322,410

35.2264

0.0009

11.4548

0.0003

14.3656

0.0004

90

null

101.645

0.001

90

null

5,677.4

0.3

293

2

293

2

null

6

C 1 2/c 1

-C 2yc

15

- C16 H35 Cl6 N3 O Te3 -

- C16 H27 Cl6 N3 O Te3 -

- C128 H216 Cl48 N24 O8 Te24 -

8

1

Tristram Chivers; Gary D. Enright; Nicole Sandblom; Gabriele Schatte; Masood Parvez

Synthesis and Reactions of tert-Butylimidotellurium Dihalides: X-ray Structures of [Cl2Te(μ-NtBu)2TeCl2]3 and (tBuO)2Te(μ-NtBu)2Te(OtBu)2

Inorganic Chemistry

1,999

38

5431

5436

10.1021/ic990849k

0.71073

MoKα

0.0396

0.0249

null

0.0567

0.0598

null

0.966

null

has coordinates

Tristram Chivers; Gary D. Enright; Nicole Sandblom; Gabriele Schatte; Masood Parvez Synthesis and Reactions of tert-Butylimidotellurium Dihalides: X-ray Structures of [Cl2Te(μ-NtBu)2TeCl2]3 and (tBuO)2Te(μ-NtBu)2Te(OtBu)2 Inorganic Chemistry 38 (1999) 5431-5436

179,327

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:25:49 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179327 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/24/4322410.cif $ #-------------------------------------------------------------------...

2,003,203

9.446

0.001

10.817

0.003

15.1

0.002

90

null

101.16

0.01

90

null

1,513.7

0.5

247

null

4

P 1 21/n 1

-P 2yn

14

- C14 H20 N2 O4 -

- C56 H80 N8 O16 -

4

1

Numan, Milco; Schenk, Henk; Döpp, Dietrich

1,5-Di-tert-butyl-2,4-dinitrobenzene, C~14~H~20~N~2~O~4~

Acta Crystallographica, Section C: Crystal Structure Communications

1,995

51

2

260

262

10.1107/S010827019400836X

1.5418

CuKα

null

0.07

null

0.087

null

0.235

null

has coordinates

Numan, Milco; Schenk, Henk; Döpp, Dietrich 1,5-Di-tert-butyl-2,4-dinitrobenzene, C~14~H~20~N~2~O~4~ Acta Crystallographica, Section C: Crystal Structure Communications 51(2) (1995) 260-262

200,787

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-09-12 16:02:29 +0300 (Tue, 12 Sep 2017) $ #$Revision: 200787 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/32/2003203.cif $ #-------------------------------------------------------------------...

2,003,204

11.453

0.002

12.119

0.002

17.444

0.004

90

null

90

null

90

null

2,421.2

0.8

295

2

null

5

P b c a

-P 2ac 2ab

61

- C12 H10 Cd N2 O5 -

- C96 H80 Cd8 N16 O40 -

8

1

Clegg, William; Cressey, Jonathan T.; McCamley, Andrew; Straughan, Brian P.

The Polymeric Structure of Aquacadmium Bisnicotinate

Acta Crystallographica, Section C: Crystal Structure Communications

1,995

51

2

234

235

10.1107/S0108270194007249

0.71073

MoKα

null

has coordinates

Clegg, William; Cressey, Jonathan T.; McCamley, Andrew; Straughan, Brian P. The Polymeric Structure of Aquacadmium Bisnicotinate Acta Crystallographica, Section C: Crystal Structure Communications 51(2) (1995) 234-235

209,447

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2018-08-07 17:33:59 +0300 (Tue, 07 Aug 2018) $ #$Revision: 209447 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/32/2003204.cif $ #-------------------------------------------------------------------...