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

1,101,169

44.567

0.01

25.766

0.007

20.626

0.005

90

null

104.526

0.014

90

null

22,928

9

293

2

293

2

null

4

C 1 2/c 1

-C 2yc

15

(Al13)2(V2W4)3

- Al13 O82.1 V3 W5.98 -

- Al13 O82.08 V3 W5.977 -

- Al104 O656.64 V24 W47.816 -

8

1

Jung-Ho Son; Young-Uk Kwon

Crystal Engineering through Face Interactions between Tetrahedral and Octahedral Building Blocks: Crystal Structure of [ε-Al13O4(OH)24(H2O)12]2[V2W4O19]3(OH)2.27H2O

Inorganic Chemistry

2,004

43

1929

1932

10.1021/ic035278h

null

has coordinates

Jung-Ho Son; Young-Uk Kwon Crystal Engineering through Face Interactions between Tetrahedral and Octahedral Building Blocks: Crystal Structure of [ε-Al13O4(OH)24(H2O)12]2[V2W4O19]3(OH)2.27H2O Inorganic Chemistry 43 (2004) 1929-1932

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/1/10/11/1101169.cif $ #-------------------------------------------------------------------...

1,101,170

16.7705

0.0001

16.7705

0.0001

16.7705

0.0001

90

null

90

null

90

null

4,716.7

0.05

293

2

293

2

null

7

I -4 3 m

I -4 2 3

217

- C24 H118 Al6 Fe3 N16 O65 P12 -

- C24 Al6 Fe3 N16 O65 P12 -

- C48 Al12 Fe6 N32 O130 P24 -

2

0.041667

Beitone, Lionel; Loiseau, Thierry; Millange, Franck; Huguenard, Clarisse; Fink, Gerhard; Taulelle, Francis; Grenèche, Jean-Marc; Férey, Gérard

Tetrahedrally Coordinated Iron(II) Incorporation in the Super-Sodalite Aluminophosphate Fe~3~Al~6~(PO~4~)~12~·4tren·17H~2~O (MIL-74)

Chemistry of Materials

2,003

15

24

4590

4597

10.1021/cm034535d

0.71073

MoKα

0.0328

0.0327

null

0.0991

0.0993

null

1.252

4,000,328

null

has coordinates

Beitone, Lionel; Loiseau, Thierry; Millange, Franck; Huguenard, Clarisse; Fink, Gerhard; Taulelle, Francis; Grenèche, Jean-Marc; Férey, Gérard Tetrahedrally Coordinated Iron(II) Incorporation in the Super-Sodalite Aluminophosphate Fe~3~Al~6~(PO~4~)~12~·4tren·17H~2~O (MIL-74) Chemistry of Materials 15(24) (2003) 4590-45...

178,243

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-17 16:27:35 +0200 (Thu, 17 Mar 2016) $ #$Revision: 178243 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/11/1101170.cif $ #-------------------------------------------------------------------...

1,101,171

14.297

0.003

17.167

0.003

19.49

0.004

82.95

0.03

74.68

0.03

78.4

0.03

4,507.3

1.6

293

2

293

2

null

5

P -1

-P 1

2

- H50.5 Nd3 O85.75 P2 W17 -

- Nd3 O85.75 P2 W17 -

- Nd6 O171.5 P4 W34 -

2

1

Lu, Ying; Xu, Yan; Li, Yangguang; Wang, Enbo; Xu, Xinxin; Ma, Ying

New Polyoxometalate Compounds Built up of Lacunary Wells‒Dawson Anions and Trivalent Lanthanide Cations

Inorganic Chemistry

2,006

45

5

2055

2060

10.1021/ic0515857

0.71073

MoKα

0.0917

0.0735

null

0.1848

0.1988

null

1.041

null

has coordinates

Lu, Ying; Xu, Yan; Li, Yangguang; Wang, Enbo; Xu, Xinxin; Ma, Ying New Polyoxometalate Compounds Built up of Lacunary Wells‒Dawson Anions and Trivalent Lanthanide Cations Inorganic Chemistry 45(5) (2006) 2055-2060

178,225

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-16 16:15:24 +0200 (Wed, 16 Mar 2016) $ #$Revision: 178225 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/11/1101171.cif $ #-------------------------------------------------------------------...

1,101,172

12.904

0.003

12.951

0.003

25.514

0.005

88.24

0.03

76.11

0.03

64.66

0.03

3,728.4

1.3

293

2

293

2

null

7

P -1

-P 1

2

- C20 H47 N4 Nd2 O74.5 P2 W17 -

- C20 H20 N4 Nd2 O74.5 P2 W17 -

- C40 H40 N8 Nd4 O149 P4 W34 -

2

1

Lu, Ying; Xu, Yan; Li, Yangguang; Wang, Enbo; Xu, Xinxin; Ma, Ying

New Polyoxometalate Compounds Built up of Lacunary Wells‒Dawson Anions and Trivalent Lanthanide Cations

Inorganic Chemistry

2,006

45

5

2055

2060

10.1021/ic0515857

0.71073

MoKα

0.0611

0.0457

null

0.0892

0.095

null

1.039

null

has coordinates

Lu, Ying; Xu, Yan; Li, Yangguang; Wang, Enbo; Xu, Xinxin; Ma, Ying New Polyoxometalate Compounds Built up of Lacunary Wells‒Dawson Anions and Trivalent Lanthanide Cations Inorganic Chemistry 45(5) (2006) 2055-2060

178,225

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-16 16:15:24 +0200 (Wed, 16 Mar 2016) $ #$Revision: 178225 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/11/1101172.cif $ #-------------------------------------------------------------------...

1,101,173

12.97

0.003

13.015

0.003

25.484

0.005

88.25

0.03

76.11

0.03

64.29

0.03

3,749.1

1.3

293

2

293

2

null

7

P -1

-P 1

2

- C20 H47 La2 N4 O74.5 P2 W17 -

- C20 H20 La2 N4 O74.5 P2 W17 -

- C40 H40 La4 N8 O149 P4 W34 -

2

1

Lu, Ying; Xu, Yan; Li, Yangguang; Wang, Enbo; Xu, Xinxin; Ma, Ying

New Polyoxometalate Compounds Built up of Lacunary Wells‒Dawson Anions and Trivalent Lanthanide Cations

Inorganic Chemistry

2,006

45

5

2055

2060

10.1021/ic0515857

0.71073

MoKα

0.0656

0.05

null

0.1103

0.1173

null

1.033

null

has coordinates

Lu, Ying; Xu, Yan; Li, Yangguang; Wang, Enbo; Xu, Xinxin; Ma, Ying New Polyoxometalate Compounds Built up of Lacunary Wells‒Dawson Anions and Trivalent Lanthanide Cations Inorganic Chemistry 45(5) (2006) 2055-2060

178,225

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-16 16:15:24 +0200 (Wed, 16 Mar 2016) $ #$Revision: 178225 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/11/1101173.cif $ #-------------------------------------------------------------------...

1,101,174

12.875

0.003

12.914

0.003

25.503

0.005

88.24

0.03

76.29

0.03

64.97

0.03

3,721.1

1.3

293

2

293

2

null

7

P -1

-P 1

2

- C20 H48 Eu2 N4 O75 P2 W17 -

- C20 H24 Eu2 N4 O75 P2 W17 -

- C40 H48 Eu4 N8 O150 P4 W34 -

2

1

Lu, Ying; Xu, Yan; Li, Yangguang; Wang, Enbo; Xu, Xinxin; Ma, Ying

New Polyoxometalate Compounds Built up of Lacunary Wells‒Dawson Anions and Trivalent Lanthanide Cations

Inorganic Chemistry

2,006

45

5

2055

2060

10.1021/ic0515857

0.71073

MoKα

0.0621

0.0452

null

0.0862

0.0921

null

1.031

null

has coordinates

Lu, Ying; Xu, Yan; Li, Yangguang; Wang, Enbo; Xu, Xinxin; Ma, Ying New Polyoxometalate Compounds Built up of Lacunary Wells‒Dawson Anions and Trivalent Lanthanide Cations Inorganic Chemistry 45(5) (2006) 2055-2060

178,225

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-16 16:15:24 +0200 (Wed, 16 Mar 2016) $ #$Revision: 178225 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/11/1101174.cif $ #-------------------------------------------------------------------...

1,101,175

7.467

0.0005

13.8824

0.0009

9.3289

0.0006

90

null

90

null

90

null

967.03

0.11

90

2

90

2

null

5

C m c m

-C 2c 2

63

- C0.5 H2 O2.5 P0.5 V0.5 -

- C8 H32 O40 P8 V8 -

16

1

Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon

Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels

Inorganic Chemistry

2,006

45

8

3224

3239

10.1021/ic0517422

null

has coordinates

Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels Inorganic Chemistry 45(8) (2006) 3224-3239

176,429

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/11/1101175.cif $ #-------------------------------------------------------------------...

1,101,176

7.4265

0.0013

9.3477

0.0016

16.793

0.003

90

null

90

null

90

null

1,165.8

0.3

90

2

90

2

null

5

I m m m

-I 2 2

71

- C0.75 H3 O2.75 P0.5 V0.5 -

- C0.75 H1.5 O2.75 P0.5 V0.5 -

- C12 H24 O44 P8 V8 -

16

1

Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon

Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels

Inorganic Chemistry

2,006

45

8

3224

3239

10.1021/ic0517422

null

has coordinates

Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels Inorganic Chemistry 45(8) (2006) 3224-3239

176,429

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/11/1101176.cif $ #-------------------------------------------------------------------...

1,101,177

7.4362

0.0005

19.1491

0.0012

9.3446

0.0006

90

null

90

null

90

null

1,330.64

0.15

90

2

90

2

null

5

C m c m

-C 2c 2

63

- C H4 O3 P0.5 V0.5 -

- C H2.5 O3 P0.5 V0.5 -

- C16 H40 O48 P8 V8 -

16

1

Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon

Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels

Inorganic Chemistry

2,006

45

8

3224

3239

10.1021/ic0517422

null

has coordinates,has disorder

Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels Inorganic Chemistry 45(8) (2006) 3224-3239

176,429

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/11/1101177.cif $ #-------------------------------------------------------------------...

1,101,178

7.433

0.0004

9.3673

0.0005

21.8357

0.0011

90

null

90

null

90

null

1,520.36

0.14

90

2

90

2

null

5

I m m m

-I 2 2

71

- C1.25 H4.5 O3 P0.5 V0.5 -

- C1.25 H3 O3 P0.5 V0.5 -

- C20 H48 O48 P8 V8 -

16

1

Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon

Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels

Inorganic Chemistry

2,006

45

8

3224

3239

10.1021/ic0517422

null

has coordinates

Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels Inorganic Chemistry 45(8) (2006) 3224-3239

176,429

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/11/1101178.cif $ #-------------------------------------------------------------------...

1,101,179

14.0943

0.0012

5.2746

0.0004

10.166

0.0008

90

null

94.606

0.002

90

null

753.32

0.1

90

2

90

2

null

5

P 1 21/c 1

-P 2ybc

14

- C3 H10 O6 P V -

- C12 H40 O24 P4 V4 -

4

1

Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon

Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels

Inorganic Chemistry

2,006

45

8

3224

3239

10.1021/ic0517422

null

has coordinates

Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels Inorganic Chemistry 45(8) (2006) 3224-3239

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/1/10/11/1101179.cif $ #-------------------------------------------------------------------...

1,101,180

8.9297

0.0003

8.9297

0.0003

34.847

0.002

90

null

90

null

90

null

2,778.6

0.2

90

2

90

2

null

5

I 4/m

-I 4

87

- C4.5 H10 O3.5 P V0.5 -

- C72 H160 O56 P16 V8 -

16

1

Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon

Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels

Inorganic Chemistry

2,006

45

8

3224

3239

10.1021/ic0517422

null

has coordinates,has disorder

Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels Inorganic Chemistry 45(8) (2006) 3224-3239

176,429

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/11/1101180.cif $ #-------------------------------------------------------------------...

1,101,181

14.5794

0.0011

10.2424

0.0008

18.7815

0.0014

90

null

98.837

0.001

90

null

2,771.3

0.4

90

2

90

2

null

6

C 1 2/c 1

-C 2yc

15

- C4 H17.5 N O11.75 P2 V2 -

- C4 H12 N O11.75 P2 V2 -

- C32 H96 N8 O94 P16 V16 -

8

1

Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon

Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels

Inorganic Chemistry

2,006

45

8

3224

3239

10.1021/ic0517422

null

has coordinates,has disorder

Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels Inorganic Chemistry 45(8) (2006) 3224-3239

176,429

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/11/1101181.cif $ #-------------------------------------------------------------------...

1,101,182

15.5527

0.0007

10.0841

0.0005

18.7813

0.0008

90

null

104.423

0.001

90

null

2,852.7

0.2

90

2

90

2

null

6

C 1 2/c 1

-C 2yc

15

- C4.5 H16 N O10.5 P2 V2 -

- C4.5 H13 N O10.5 P2 V2 -

- C36 H104 N8 O84 P16 V16 -

8

1

Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon

Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels

Inorganic Chemistry

2,006

45

8

3224

3239

10.1021/ic0517422

null

has coordinates

Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels Inorganic Chemistry 45(8) (2006) 3224-3239

176,429

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/11/1101182.cif $ #-------------------------------------------------------------------...

1,101,183

15.2003

0.0011

10.2122

0.0007

18.5903

0.0013

90

null

103.53

0.001

90

null

2,805.7

0.3

90

2

90

2

null

6

C 1 2/c 1

-C 2yc

15

- C5 H16.5 N O10.25 P2 V2 -

- C5 H14 N O10.25 P2 V2 -

- C40 H112 N8 O82 P16 V16 -

8

1

Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon

Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels

Inorganic Chemistry

2,006

45

8

3224

3239

10.1021/ic0517422

null

has coordinates

Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels Inorganic Chemistry 45(8) (2006) 3224-3239

176,429

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/11/1101183.cif $ #-------------------------------------------------------------------...

1,101,184

15.712

0.001

10.03

0.001

18.656

0.002

90

null

103.328

0.002

90

null

2,861

0.5

90

2

90

2

null

6

C 1 2/c 1

-C 2yc

15

- C5.5 H16 N O9.5 P2 V2 -

- C5.5 H15 N O9.5 P2 V2 -

- C44 H120 N8 O76 P16 V16 -

8

1

Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon

Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels

Inorganic Chemistry

2,006

45

8

3224

3239

10.1021/ic0517422

null

has coordinates

Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels Inorganic Chemistry 45(8) (2006) 3224-3239

176,429

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/11/1101184.cif $ #-------------------------------------------------------------------...

1,101,185

15.6403

0.0011

10.2112

0.0007

18.6795

0.0014

90

null

105.484

0.001

90

null

2,875

0.4

90

2

90

2

null

6

C 1 2/c 1

-C 2yc

15

- C6 H16.5 N O9.25 P2 V2 -

- C6 H16 N O9.25 P2 V2 -

- C48 H128 N8 O74 P16 V16 -

8

1

Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon

Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels

Inorganic Chemistry

2,006

45

8

3224

3239

10.1021/ic0517422

null

has coordinates,has disorder

Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels Inorganic Chemistry 45(8) (2006) 3224-3239

176,429

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/11/1101185.cif $ #-------------------------------------------------------------------...

1,101,186

15.822

0.0015

10.0614

0.0009

18.6103

0.0017

90

null

104.292

0.002

90

null

2,870.9

0.5

90

2

90

2

null

6

C 1 2/c 1

-C 2yc

15

- C6.5 H17 N O9 P2 V2 -

- C52 H136 N8 O72 P16 V16 -

8

1

Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon

Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels

Inorganic Chemistry

2,006

45

8

3224

3239

10.1021/ic0517422

null

has coordinates,has disorder

Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels Inorganic Chemistry 45(8) (2006) 3224-3239

176,429

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/11/1101186.cif $ #-------------------------------------------------------------------...

1,101,187

15.2345

0.001

10.1817

0.0006

18.6968

0.0012

90

null

103.524

0.001

90

null

2,819.7

0.3

90

2

90

2

null

6

C 1 2/c 1

-C 2yc

15

- C4.5 H12.75 N O9 P2 V2 -

- C4.5 H7 N O9 P2 V2 -

- C36 H56 N8 O72 P16 V16 -

8

1

Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon

Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels

Inorganic Chemistry

2,006

45

8

3224

3239

10.1021/ic0517422

null

has coordinates,has disorder

Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels Inorganic Chemistry 45(8) (2006) 3224-3239

176,429

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/11/1101187.cif $ #-------------------------------------------------------------------...

1,101,188

15.003

0.003

10.126

0.002

18.604

0.004

90

null

101

0.03

90

null

2,774.3

1

90

2

90

2

null

6

C 1 2/c 1

-C 2yc

15

- C4 H16 N O10.5 P2 V2 -

- C4 H10 N O10.5 P2 V2 -

- C32 H80 N8 O84 P16 V16 -

8

1

Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon

Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels

Inorganic Chemistry

2,006

45

8

3224

3239

10.1021/ic0517422

null

has coordinates,has disorder

Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels Inorganic Chemistry 45(8) (2006) 3224-3239

176,429

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/11/1101188.cif $ #-------------------------------------------------------------------...

1,101,189

15.0877

0.0009

10.2027

0.0006

18.6376

0.0011

90

null

102.521

0.001

90

null

2,800.7

0.3

90

2

90

2

null

6

C 1 2/c 1

-C 2yc

15

- C5 H15 N O9.5 P2 V2 -

- C5 H14 N O9.5 P2 V2 -

- C40 H112 N8 O76 P16 V16 -

8

1

Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon

Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels

Inorganic Chemistry

2,006

45

8

3224

3239

10.1021/ic0517422

null

has coordinates,has disorder

Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels Inorganic Chemistry 45(8) (2006) 3224-3239

176,429

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/11/1101189.cif $ #-------------------------------------------------------------------...

1,101,190

15.4228

0.0009

10.2047

0.0006

18.7078

0.0011

90

null

103.835

0.001

90

null

2,858.9

0.3

90

2

90

2

null

6

C 1 2/c 1

-C 2yc

15

- C6 H17 N O9 P2 V2 -

- C48 H136 N8 O72 P16 V16 -

8

1

Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon

Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels

Inorganic Chemistry

2,006

45

8

3224

3239

10.1021/ic0517422

null

has coordinates,has disorder

Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels Inorganic Chemistry 45(8) (2006) 3224-3239

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/1/10/11/1101190.cif $ #-------------------------------------------------------------------...

1,101,191

15.2768

0.0008

10.2216

0.0006

18.6279

0.001

90

null

103.252

0.001

90

null

2,831.4

0.3

90

2

90

2

null

6

C 1 2/c 1

-C 2yc

15

- C7 H19.5 N O9 P2 V2 -

- C56 H156 N8 O72 P16 V16 -

8

1

Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon

Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels

Inorganic Chemistry

2,006

45

8

3224

3239

10.1021/ic0517422

null

has coordinates,has disorder

Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels Inorganic Chemistry 45(8) (2006) 3224-3239

176,429

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/11/1101191.cif $ #-------------------------------------------------------------------...

1,101,192

30.947

0.002

10.6168

0.0008

18.604

0.0014

90

null

90

null

90

null

6,112.5

0.8

90

2

90

2

null

6

C m c 21

C 2c -2

36

- C12 H32.75 N2 O18.75 P4 V4 -

- C12 H32 N2 O18.75 P4 V4 -

- C96 H256 N16 O150 P32 V32 -

8

1

Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon

Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels

Inorganic Chemistry

2,006

45

8

3224

3239

10.1021/ic0517422

null

has coordinates,has disorder

Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels Inorganic Chemistry 45(8) (2006) 3224-3239

175,229

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-01-28 12:58:41 +0200 (Thu, 28 Jan 2016) $ #$Revision: 175229 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/11/1101192.cif $ #-------------------------------------------------------------------...

1,101,193

12.2895

0.0015

13.4657

0.0016

6.0846

0.0007

90

null

103.401

0.002

90

null

979.5

0.2

90

2

90

2

null

6

P 1 21/c 1

-P 2ybc

14

- C4 H11 N O7 P2 V -

- C16 H44 N4 O28 P8 V4 -

4

1

Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon

Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels

Inorganic Chemistry

2,006

45

8

3224

3239

10.1021/ic0517422

null

has coordinates

Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels Inorganic Chemistry 45(8) (2006) 3224-3239

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/1/10/11/1101193.cif $ #-------------------------------------------------------------------...

1,101,194

14.6046

0.001

13.4811

0.0009

6.0678

0.0004

90

null

98.73

0.001

90

null

1,180.82

0.14

90

2

90

2

null

6

P 1 21/c 1

-P 2ybc

14

- C6 H15 N O7 P2 V -

- C24 H60 N4 O28 P8 V4 -

4

1

Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon

Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels

Inorganic Chemistry

2,006

45

8

3224

3239

10.1021/ic0517422

null

has coordinates

Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels Inorganic Chemistry 45(8) (2006) 3224-3239

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/1/10/11/1101194.cif $ #-------------------------------------------------------------------...

1,101,195

16.941

0.003

13.47

0.002

6.0553

0.001

90

null

95.026

0.004

90

null

1,376.5

0.4

90

2

90

2

null

6

P 1 21/c 1

-P 2ybc

14

- C8 H19 N O7 P2 V -

- C32 H76 N4 O28 P8 V4 -

4

1

Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon

Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels

Inorganic Chemistry

2,006

45

8

3224

3239

10.1021/ic0517422

null

has coordinates

Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels Inorganic Chemistry 45(8) (2006) 3224-3239

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/1/10/11/1101195.cif $ #-------------------------------------------------------------------...

1,101,196

16.3248

0.0015

13.3361

0.0012

10.1019

0.0009

90

null

89.994

0.002

90

null

2,199.3

0.3

90

2

90

2

null

6

P 1 21/c 1

-P 2ybc

14

- C9 H24 N2 O15 P4 V3 -

- C36 H96 N8 O60 P16 V12 -

4

1

Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon

Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels

Inorganic Chemistry

2,006

45

8

3224

3239

10.1021/ic0517422

null

has coordinates

Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels Inorganic Chemistry 45(8) (2006) 3224-3239

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/1/10/11/1101196.cif $ #-------------------------------------------------------------------...

1,101,197

7.467

0.0005

13.8824

0.0009

9.3289

0.0006

90

null

90

null

90

null

967.03

0.11

90

2

90

2

null

5

C m c m

-C 2c 2

63

- C0.5 H2 O2.5 P0.5 V0.5 -

- C8 H32 O40 P8 V8 -

16

1

Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon

Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels

Inorganic Chemistry

2,006

45

8

3224

3239

10.1021/ic0517422

null

1,101,175

null

has coordinates

Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels Inorganic Chemistry 45(8) (2006) 3224-3239

176,429

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/11/1101197.cif $ #-------------------------------------------------------------------...

1,101,198

7.4265

0.0013

9.3477

0.0016

16.793

0.003

90

null

90

null

90

null

1,165.8

0.3

90

2

90

2

null

5

I m m m

-I 2 2

71

- C0.75 H3 O2.75 P0.5 V0.5 -

- C0.75 H1.5 O2.75 P0.5 V0.5 -

- C12 H24 O44 P8 V8 -

16

1

Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon

Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels

Inorganic Chemistry

2,006

45

8

3224

3239

10.1021/ic0517422

null

1,101,176

null

has coordinates

Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels Inorganic Chemistry 45(8) (2006) 3224-3239

176,429

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/11/1101198.cif $ #-------------------------------------------------------------------...

1,101,199

7.4362

0.0005

19.1491

0.0012

9.3446

0.0006

90

null

90

null

90

null

1,330.64

0.15

90

2

90

2

null

5

C m c m

-C 2c 2

63

- C H4 O3 P0.5 V0.5 -

- C H2.5 O3 P0.5 V0.5 -

- C16 H40 O48 P8 V8 -

16

1

Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon

Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels

Inorganic Chemistry

2,006

45

8

3224

3239

10.1021/ic0517422

null

1,101,177

null

has coordinates,has disorder

Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels Inorganic Chemistry 45(8) (2006) 3224-3239

176,429

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/11/1101199.cif $ #-------------------------------------------------------------------...

1,101,200

7.433

0.0004

9.3673

0.0005

21.8357

0.0011

90

null

90

null

90

null

1,520.36

0.14

90

2

90

2

null

5

I m m m

-I 2 2

71

- C1.25 H4.5 O3 P0.5 V0.5 -

- C1.25 H3 O3 P0.5 V0.5 -

- C20 H48 O48 P8 V8 -

16

1

Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon

Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels

Inorganic Chemistry

2,006

45

8

3224

3239

10.1021/ic0517422

null

1,101,178

null

has coordinates

Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels Inorganic Chemistry 45(8) (2006) 3224-3239

176,429

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/12/1101200.cif $ #-------------------------------------------------------------------...

1,101,201

14.0943

0.0012

5.2746

0.0004

10.166

0.0008

90

null

94.606

0.002

90

null

753.32

0.1

90

2

90

2

null

5

P 1 21/c 1

-P 2ybc

14

- C3 H10 O6 P V -

- C12 H40 O24 P4 V4 -

4

1

Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon

Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels

Inorganic Chemistry

2,006

45

8

3224

3239

10.1021/ic0517422

null

1,101,179

null

has coordinates

Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels Inorganic Chemistry 45(8) (2006) 3224-3239

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/1/10/12/1101201.cif $ #-------------------------------------------------------------------...

1,101,202

8.9297

0.0003

8.9297

0.0003

34.847

0.002

90

null

90

null

90

null

2,778.6

0.2

90

2

90

2

null

5

I 4/m

-I 4

87

- C4.5 H10 O3.5 P V0.5 -

- C72 H160 O56 P16 V8 -

16

1

Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon

Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels

Inorganic Chemistry

2,006

45

8

3224

3239

10.1021/ic0517422

null

1,101,180

null

has coordinates,has disorder

Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels Inorganic Chemistry 45(8) (2006) 3224-3239

176,429

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/12/1101202.cif $ #-------------------------------------------------------------------...

1,101,203

14.5794

0.0011

10.2424

0.0008

18.7815

0.0014

90

null

98.837

0.001

90

null

2,771.3

0.4

90

2

90

2

null

6

C 1 2/c 1

-C 2yc

15

- C4 H17.5 N O11.75 P2 V2 -

- C4 H12 N O11.75 P2 V2 -

- C32 H96 N8 O94 P16 V16 -

8

1

Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon

Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels

Inorganic Chemistry

2,006

45

8

3224

3239

10.1021/ic0517422

null

1,101,181

null

has coordinates,has disorder

Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels Inorganic Chemistry 45(8) (2006) 3224-3239

176,429

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/12/1101203.cif $ #-------------------------------------------------------------------...

1,101,204

15.5527

0.0007

10.0841

0.0005

18.7813

0.0008

90

null

104.423

0.001

90

null

2,852.7

0.2

90

2

90

2

null

6

C 1 2/c 1

-C 2yc

15

- C4.5 H16 N O10.5 P2 V2 -

- C4.5 H13 N O10.5 P2 V2 -

- C36 H104 N8 O84 P16 V16 -

8

1

Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon

Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels

Inorganic Chemistry

2,006

45

8

3224

3239

10.1021/ic0517422

null

1,101,182

null

has coordinates

Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels Inorganic Chemistry 45(8) (2006) 3224-3239

176,429

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/12/1101204.cif $ #-------------------------------------------------------------------...

1,101,205

15.2003

0.0011

10.2122

0.0007

18.5903

0.0013

90

null

103.53

0.001

90

null

2,805.7

0.3

90

2

90

2

null

6

C 1 2/c 1

-C 2yc

15

- C5 H16.5 N O10.25 P2 V2 -

- C5 H14 N O10.25 P2 V2 -

- C40 H112 N8 O82 P16 V16 -

8

1

Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon

Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels

Inorganic Chemistry

2,006

45

8

3224

3239

10.1021/ic0517422

null

1,101,183

null

has coordinates

Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels Inorganic Chemistry 45(8) (2006) 3224-3239

176,429

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/12/1101205.cif $ #-------------------------------------------------------------------...

1,101,206

15.712

0.001

10.03

0.001

18.656

0.002

90

null

103.328

0.002

90

null

2,861

0.5

90

2

90

2

null

6

C 1 2/c 1

-C 2yc

15

- C5.5 H16 N O9.5 P2 V2 -

- C5.5 H15 N O9.5 P2 V2 -

- C44 H120 N8 O76 P16 V16 -

8

1

Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon

Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels

Inorganic Chemistry

2,006

45

8

3224

3239

10.1021/ic0517422

null

1,101,184

null

has coordinates

Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels Inorganic Chemistry 45(8) (2006) 3224-3239

176,429

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/12/1101206.cif $ #-------------------------------------------------------------------...

1,101,207

15.6403

0.0011

10.2112

0.0007

18.6795

0.0014

90

null

105.484

0.001

90

null

2,875

0.4

90

2

90

2

null

6

C 1 2/c 1

-C 2yc

15

- C6 H16.5 N O9.25 P2 V2 -

- C6 H16 N O9.25 P2 V2 -

- C48 H128 N8 O74 P16 V16 -

8

1

Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon

Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels

Inorganic Chemistry

2,006

45

8

3224

3239

10.1021/ic0517422

null

1,101,185

null

has coordinates,has disorder

Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels Inorganic Chemistry 45(8) (2006) 3224-3239

176,429

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/12/1101207.cif $ #-------------------------------------------------------------------...

1,101,208

15.822

0.0015

10.0614

0.0009

18.6103

0.0017

90

null

104.292

0.002

90

null

2,870.9

0.5

90

2

90

2

null

6

C 1 2/c 1

-C 2yc

15

- C6.5 H17 N O9 P2 V2 -

- C52 H136 N8 O72 P16 V16 -

8

1

Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon

Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels

Inorganic Chemistry

2,006

45

8

3224

3239

10.1021/ic0517422

null

1,101,186

null

has coordinates,has disorder

Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels Inorganic Chemistry 45(8) (2006) 3224-3239

176,429

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/12/1101208.cif $ #-------------------------------------------------------------------...

1,101,209

15.2345

0.001

10.1817

0.0006

18.6968

0.0012

90

null

103.524

0.001

90

null

2,819.7

0.3

90

2

90

2

null

6

C 1 2/c 1

-C 2yc

15

- C4.5 H12.75 N O9 P2 V2 -

- C4.5 H7 N O9 P2 V2 -

- C36 H56 N8 O72 P16 V16 -

8

1

Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon

Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels

Inorganic Chemistry

2,006

45

8

3224

3239

10.1021/ic0517422

null

1,101,187

null

has coordinates,has disorder

Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels Inorganic Chemistry 45(8) (2006) 3224-3239

176,429

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/12/1101209.cif $ #-------------------------------------------------------------------...

1,101,210

15.003

0.003

10.126

0.002

18.604

0.004

90

null

101

0.03

90

null

2,774.3

1

90

2

90

2

null

6

C 1 2/c 1

-C 2yc

15

- C4 H16 N O10.5 P2 V2 -

- C4 H10 N O10.5 P2 V2 -

- C32 H80 N8 O84 P16 V16 -

8

1

Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon

Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels

Inorganic Chemistry

2,006

45

8

3224

3239

10.1021/ic0517422

null

1,101,188

null

has coordinates,has disorder

Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels Inorganic Chemistry 45(8) (2006) 3224-3239

176,429

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/12/1101210.cif $ #-------------------------------------------------------------------...

1,101,211

15.0877

0.0009

10.2027

0.0006

18.6376

0.0011

90

null

102.521

0.001

90

null

2,800.7

0.3

90

2

90

2

null

6

C 1 2/c 1

-C 2yc

15

- C5 H15 N O9.5 P2 V2 -

- C5 H14 N O9.5 P2 V2 -

- C40 H112 N8 O76 P16 V16 -

8

1

Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon

Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels

Inorganic Chemistry

2,006

45

8

3224

3239

10.1021/ic0517422

null

1,101,189

null

has coordinates,has disorder

Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels Inorganic Chemistry 45(8) (2006) 3224-3239

176,429

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/12/1101211.cif $ #-------------------------------------------------------------------...

1,101,212

15.4228

0.0009

10.2047

0.0006

18.7078

0.0011

90

null

103.835

0.001

90

null

2,858.9

0.3

90

2

90

2

null

6

C 1 2/c 1

-C 2yc

15

- C6 H17 N O9 P2 V2 -

- C48 H136 N8 O72 P16 V16 -

8

1

Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon

Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels

Inorganic Chemistry

2,006

45

8

3224

3239

10.1021/ic0517422

null

1,101,190

null

has coordinates,has disorder

Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels Inorganic Chemistry 45(8) (2006) 3224-3239

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/1/10/12/1101212.cif $ #-------------------------------------------------------------------...

1,101,213

15.2768

0.0008

10.2216

0.0006

18.6279

0.001

90

null

103.252

0.001

90

null

2,831.4

0.3

90

2

90

2

null

6

C 1 2/c 1

-C 2yc

15

- C7 H19.5 N O9 P2 V2 -

- C56 H156 N8 O72 P16 V16 -

8

1

Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon

Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels

Inorganic Chemistry

2,006

45

8

3224

3239

10.1021/ic0517422

null

1,101,191

null

has coordinates,has disorder

Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels Inorganic Chemistry 45(8) (2006) 3224-3239

176,429

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/12/1101213.cif $ #-------------------------------------------------------------------...

1,101,214

30.947

0.002

10.6168

0.0008

18.604

0.0014

90

null

90

null

90

null

6,112.5

0.8

90

2

90

2

null

6

C m c 21

C 2c -2

36

- C12 H32.75 N2 O18.75 P4 V4 -

- C12 H32 N2 O18.75 P4 V4 -

- C96 H256 N16 O150 P32 V32 -

8

1

Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon

Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels

Inorganic Chemistry

2,006

45

8

3224

3239

10.1021/ic0517422

null

1,101,192

null

has coordinates,has disorder

Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels Inorganic Chemistry 45(8) (2006) 3224-3239

175,229

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-01-28 12:58:41 +0200 (Thu, 28 Jan 2016) $ #$Revision: 175229 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/12/1101214.cif $ #-------------------------------------------------------------------...

1,101,215

12.2895

0.0015

13.4657

0.0016

6.0846

0.0007

90

null

103.401

0.002

90

null

979.5

0.2

90

2

90

2

null

6

P 1 21/c 1

-P 2ybc

14

- C4 H11 N O7 P2 V -

- C16 H44 N4 O28 P8 V4 -

4

1

Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon

Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels

Inorganic Chemistry

2,006

45

8

3224

3239

10.1021/ic0517422

null

1,101,193

null

has coordinates

Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels Inorganic Chemistry 45(8) (2006) 3224-3239

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/1/10/12/1101215.cif $ #-------------------------------------------------------------------...

1,101,216

14.6046

0.001

13.4811

0.0009

6.0678

0.0004

90

null

98.73

0.001

90

null

1,180.82

0.14

90

2

90

2

null

6

P 1 21/c 1

-P 2ybc

14

- C6 H15 N O7 P2 V -

- C24 H60 N4 O28 P8 V4 -

4

1

Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon

Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels

Inorganic Chemistry

2,006

45

8

3224

3239

10.1021/ic0517422

null

1,101,194

null

has coordinates

Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels Inorganic Chemistry 45(8) (2006) 3224-3239

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/1/10/12/1101216.cif $ #-------------------------------------------------------------------...

1,101,217

16.941

0.003

13.47

0.002

6.0553

0.001

90

null

95.026

0.004

90

null

1,376.5

0.4

90

2

90

2

null

6

P 1 21/c 1

-P 2ybc

14

- C8 H19 N O7 P2 V -

- C32 H76 N4 O28 P8 V4 -

4

1

Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon

Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels

Inorganic Chemistry

2,006

45

8

3224

3239

10.1021/ic0517422

null

1,101,195

null

has coordinates

Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels Inorganic Chemistry 45(8) (2006) 3224-3239

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/1/10/12/1101217.cif $ #-------------------------------------------------------------------...

1,101,218

16.3248

0.0015

13.3361

0.0012

10.1019

0.0009

90

null

89.994

0.002

90

null

2,199.3

0.3

90

2

90

2

null

6

P 1 21/c 1

-P 2ybc

14

- C9 H24 N2 O15 P4 V3 -

- C36 H96 N8 O60 P16 V12 -

4

1

Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon

Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels

Inorganic Chemistry

2,006

45

8

3224

3239

10.1021/ic0517422

null

1,101,196

null

has coordinates

Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels Inorganic Chemistry 45(8) (2006) 3224-3239

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/1/10/12/1101218.cif $ #-------------------------------------------------------------------...

1,101,219

29.166

null

38.497

null

37.405

null

90

null

90

null

90

null

41,998.1

null

293

2

null

7

P n a 21

P 2c -2n

33

- C258 H579 N17 O156 Si4 Ti8 W40 -

- C247.01 N17 O156 Si4 Ti8 W40 -

- C988.04 N68 O624 Si16 Ti32 W160 -

4

1

Goto, Yuya; Kamata, Keigo; Yamaguchi, Kazuya; Uehara, Kazuhiro; Hikichi, Shiro; Mizuno, Noritaka

Synthesis, Structural Characterization, and Catalytic Performance of Dititanium-Substituted γ-Keggin Silicotungstate

Inorganic Chemistry

2,006

45

5

2347

2356

10.1021/ic052179q

0.71073

MoKα

null

0.0444

null

0.1266

null

1.006

null

has coordinates

Goto, Yuya; Kamata, Keigo; Yamaguchi, Kazuya; Uehara, Kazuhiro; Hikichi, Shiro; Mizuno, Noritaka Synthesis, Structural Characterization, and Catalytic Performance of Dititanium-Substituted γ-Keggin Silicotungstate Inorganic Chemistry 45(5) (2006) 2347-2356

178,223

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-16 14:49:56 +0200 (Wed, 16 Mar 2016) $ #$Revision: 178223 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/12/1101219.cif $ #-------------------------------------------------------------------...

1,101,220

33.2107

0.0003

35.4445

0.0004

85.0187

0.0008

90

null

90

null

90

null

100,079

1.7

296.1

null

8

F d d d :2

-F 2uv 2vw

70

- C100 H212 K8 O128 S2 Si2 Ti4 W20 -

- C100 K8 O128 S2 Si2 Ti4 W20 -

- C1600 K128 O2048 S32 Si32 Ti64 W320 -

16

0.5

Goto, Yuya; Kamata, Keigo; Yamaguchi, Kazuya; Uehara, Kazuhiro; Hikichi, Shiro; Mizuno, Noritaka

Synthesis, Structural Characterization, and Catalytic Performance of Dititanium-Substituted γ-Keggin Silicotungstate

Inorganic Chemistry

2,006

45

5

2347

2356

10.1021/ic052179q

0.71069

MoKα

null

0.0546

null

0.0538

null

8.293

null

has coordinates

Goto, Yuya; Kamata, Keigo; Yamaguchi, Kazuya; Uehara, Kazuhiro; Hikichi, Shiro; Mizuno, Noritaka Synthesis, Structural Characterization, and Catalytic Performance of Dititanium-Substituted γ-Keggin Silicotungstate Inorganic Chemistry 45(5) (2006) 2347-2356

178,223

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-16 14:49:56 +0200 (Wed, 16 Mar 2016) $ #$Revision: 178223 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/12/1101220.cif $ #-------------------------------------------------------------------...

1,101,221

45.4319

0.0007

17.8884

0.0004

15.8179

0.0003

90

null

96.328

0.0008

90

null

12,776.9

0.4

296.1

null

7

C 1 2/m 1

-C 2y

12

- C98 H200 K8 O126 Si2 Ti4 W20 -

- C98 K8 O126 Si2 Ti4 W20 -

- C196 K16 O252 Si4 Ti8 W40 -

2

0.25

Goto, Yuya; Kamata, Keigo; Yamaguchi, Kazuya; Uehara, Kazuhiro; Hikichi, Shiro; Mizuno, Noritaka

Synthesis, Structural Characterization, and Catalytic Performance of Dititanium-Substituted γ-Keggin Silicotungstate

Inorganic Chemistry

2,006

45

5

2347

2356

10.1021/ic052179q

0.71069

MoKα

null

0.0602

null

0.0783

null

11.43

null

has coordinates

Goto, Yuya; Kamata, Keigo; Yamaguchi, Kazuya; Uehara, Kazuhiro; Hikichi, Shiro; Mizuno, Noritaka Synthesis, Structural Characterization, and Catalytic Performance of Dititanium-Substituted γ-Keggin Silicotungstate Inorganic Chemistry 45(5) (2006) 2347-2356

178,223

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-16 14:49:56 +0200 (Wed, 16 Mar 2016) $ #$Revision: 178223 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/12/1101221.cif $ #-------------------------------------------------------------------...

1,101,222

16.7942

0.0001

16.7942

0.0001

16.7942

0.0001

90

null

90

null

90

null

4,736.72

0.05

293

2

293

2

null

7

P -4 3 n

P -4n 2 3

218

MIL-74

- C24 H118 Al6 N16 O65 P12 Zn3 -

- C24 Al6.504 N16 O65 P12 Zn2.496 -

- C48 Al13.008 N32 O130 P24 Zn4.992 -

2

0.083333

Lionel Beitone; Clarisse Huguenard; Axel Gansmüller; Marc Henry; Francis Taulelle; Thierry Loiseau; Gérard Férey

Order-Disorder in the Super-Sodalite Zn3Al6(PO4)12, 4tren, 17H2O (MIL-74): A Combined XRD-NMR Assessment

Journal of the American Chemical Society

2,003

125

9102

9110

10.1021/ja0294818

0.71073

MoKα

0.0532

0.0404

null

0.1014

0.1091

null

1.176

null

has coordinates

Lionel Beitone; Clarisse Huguenard; Axel Gansmüller; Marc Henry; Francis Taulelle; Thierry Loiseau; Gérard Férey Order-Disorder in the Super-Sodalite Zn3Al6(PO4)12, 4tren, 17H2O (MIL-74): A Combined XRD-NMR Assessment Journal of the American Chemical Society 125 (2003) 9102-9110

277,831

2022-09-14

14:31:33

#------------------------------------------------------------------------------ #$Date: 2022-09-14 17:31:13 +0300 (Wed, 14 Sep 2022) $ #$Revision: 277831 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/12/1101222.cif $ #-------------------------------------------------------------------...

1,101,223

46.324

0.005

42.268

0.004

41.896

0.004

90

null

112.549

0.002

90

null

75,763

13

173

2

173

2

null

7

C 1 2/m 1

-C 2y

12

- H1262 K43 Mo214 Na11 O1404 S12 V34 -

- K21 Mo213.6 O1002.72 S12 V30 -

- K42 Mo427.2 O2005.44 S24 V60 -

2

0.25

Botar, Bogdan; Kögerler, Paul; Hill, Craig L.

A Nanoring‒Nanosphere Molecule, {Mo~214~V~30~}: Pushing the Boundaries of Controllable Inorganic Structural Organization at the Molecular Level

Journal of the American Chemical Society

2,006

128

16

5336

5337

10.1021/ja060886s

0.71073

MoKα

0.1577

0.0998

null

0.2731

0.3412

null

1.044

null

has coordinates

Botar, Bogdan; Kögerler, Paul; Hill, Craig L. A Nanoring‒Nanosphere Molecule, {Mo~214~V~30~}: Pushing the Boundaries of Controllable Inorganic Structural Organization at the Molecular Level Journal of the American Chemical Society 128(16) (2006) 5336-5337

178,224

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-16 15:05:45 +0200 (Wed, 16 Mar 2016) $ #$Revision: 178224 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/12/1101223.cif $ #-------------------------------------------------------------------...

1,101,224

7.3373

0.001

11.2668

0.0016

8.2369

0.0018

90

null

97.387

0.003

90

null

675.3

0.2

293

0.2

293

0.2

null

4

I 1 2 1

I 2y

5

Sodium molybdenum tellurium oxide

- Mo3 Na2 O16 Te3 -

- Mo6 Na4 O32 Te6 -

2

0.5

Chi, Eun Ok; Ok, Kang Min; Porter, Yetta; Halasyamani, P. Shiv

Na~2~Te~3~Mo~3~O~16~: A New Molybdenum Tellurite with Second-Harmonic Generating and Pyroelectric Properties

Chemistry of Materials

2,006

18

8

2070

2074

10.1021/cm052614e

0.71073

MoKα

0.0337

0.0331

null

0.0886

0.0891

null

1.081

null

has coordinates

Chi, Eun Ok; Ok, Kang Min; Porter, Yetta; Halasyamani, P. Shiv Na~2~Te~3~Mo~3~O~16~: A New Molybdenum Tellurite with Second-Harmonic Generating and Pyroelectric Properties Chemistry of Materials 18(8) (2006) 2070-2074

178,244

2020-10-21

18:00:00

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7,015,091

9.42

0.002

9.42

0.002

10.242

0.004

90

null

90

null

120

null

787.1

0.4

120

2

120

2

null

5

P -3

-P 3

147

Catena(octadecahydroxo-trioxalato-(mu -piperazine)-dodeca- cobalt(ii))

Catena(octadecahydroxo-trioxalato-(μ -piperazine)-dodeca- cobalt(II))

- C5 H14 Co6 N O15 -

- C4.9998 H13.9995 Co6 N O15 -

- C9.9996 H27.999 Co12 N2 O30 -

2

0.333333

Keene, Tony D.; Light, Mark E.; Hursthouse, Michael B.; Price, Daniel J.

Structure and magnetism of new hybrid cobalt hydroxide materials built from decorated brucite layers.

Dalton transactions (Cambridge, England : 2003)

2,011

40

12

2983

2994

10.1039/c0dt01007c

0.71073

MoKα

0.2156

0.1209

null

0.2786

0.3334

null

1.048

null

has coordinates

Keene, Tony D.; Light, Mark E.; Hursthouse, Michael B.; Price, Daniel J. Structure and magnetism of new hybrid cobalt hydroxide materials built from decorated brucite layers. Dalton transactions (Cambridge, England : 2003) 40(12) (2011) 2983-2994

179,854

2020-10-21

18:00:00

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1,101,225

47.177

0.003

42.46

0.003

26.4971

0.0016

90

null

90.134

0.002

90

null

53,078

6

173

2

173

2

null

7

C 1 2/c 1

-C 2yc

15

- H422 K26 Mo72 Na8 O542 S12 V31 -

- K26 Mo72.122 O471 S12 V30 -

- K104 Mo288.488 O1884 S48 V120 -

4

0.5

Botar, Bogdan; Kögerler, Paul; Hill, Craig L.

[{(Mo)Mo5O21(H2O)3(SO4)}12(VO)30(H2O)20]36-: A molecular quantum spin icosidodecahedron.

Chemical communications (Cambridge, England)

2,005

null

25

3138

3140

10.1039/b504491j

null

7,100,077

null

has coordinates

Botar, Bogdan; Kögerler, Paul; Hill, Craig L. [{(Mo)Mo5O21(H2O)3(SO4)}12(VO)30(H2O)20]36-: A molecular quantum spin icosidodecahedron. Chemical communications (Cambridge, England) (issue 25) (2005) 3138-3140

176,729

2020-10-21

18:00:00

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1,101,226

61.594

0.009

15.968

0.002

16.59

0.002

90

null

90

null

90

null

16,317

4

293

2

293

2

null

5

F d d 2

F 2 -2d

43

- C48 H33 N12 O1.5 Zn -

- C48 H30 N12 O1.5 Zn -

- C768 H480 N192 O24 Zn16 -

16

1

Qiong Ye; Yong-Hua Li; Yu-Mei Song; Xue-Feng Huang; Ren-Gen Xiong; Ziling Xue

A Second-Order Nonlinear Optical Material Prepared through In Situ Hydrothermal Ligand Synthesis

Inorganic Chemistry

2,005

44

3618

3625

10.1021/ic0500098

0.71073

MoKα

0.136

0.0636

null

0.1402

0.1693

null

0.795

null

has coordinates

Qiong Ye; Yong-Hua Li; Yu-Mei Song; Xue-Feng Huang; Ren-Gen Xiong; Ziling Xue A Second-Order Nonlinear Optical Material Prepared through In Situ Hydrothermal Ligand Synthesis Inorganic Chemistry 44 (2005) 3618-3625

176,435

2020-10-21

18:00:00

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1,200,000

19.773

0.004

7.531

0.0015

13.726

0.003

90

null

117.31

0.03

90

null

1,816.1

0.6

293

2

293

2

null

5

C 1 c 1

C -2yc

9

cis-dichlorobis(triethylphosphine)platinum(II)

- C12 H30 Cl2 P2 Pt -

- C48 H120 Cl8 P8 Pt4 -

4

1

Otto, Stefanus; Muller, Alfred Johannes

cis-Dichlorobis(triethylarsine)platinum(II) and cis-dichlorobis(triethylphosphine)platinum(II)

Acta Crystallographica, Section C: Crystal Structure Communications

2,001

57

12

1405

1407

10.1107/S0108270101016043

0.71073

MoKα

0.0363

0.0341

null

0.0906

0.0921

null

1.02

2,012,395

null

has coordinates

Otto, Stefanus; Muller, Alfred Johannes cis-Dichlorobis(triethylarsine)platinum(II) and cis-dichlorobis(triethylphosphine)platinum(II) Acta Crystallographica, Section C: Crystal Structure Communications 57(12) (2001) 1405-1407

209,639

2020-10-21

18:00:00

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1,200,001

15.9407

0.0015

9.1737

0.001

19.015

0.002

90

null

90

null

90

null

2,780.7

0.5

293

2

293

2

null

5

P b c a

-P 2ac 2ab

61

8,9-Dimethoxy-10b-methyl-1-oxo-6,10b-dihydro-5H- thiazolo[2,3-a]isoquinolin-3-one

- C14 H17 N O4 S -

- C112 H136 N8 O32 S8 -

8

1

Gzella, Andrzej; Rozwadowska, Maria D.; Sulima, Agnieszka

Two dihydro-5H-thiazolinono[2,3-a]isoquinoline S-oxides

Acta Crystallographica, Section C

2,001

57

12

1454

1456

10.1107/S0108270101016638

1.54178

CuKα

0.0404

0.0327

null

0.0939

0.098

null

1.064

null

has coordinates

Gzella, Andrzej; Rozwadowska, Maria D.; Sulima, Agnieszka Two dihydro-5H-thiazolinono[2,3-a]isoquinoline S-oxides Acta Crystallographica, Section C 57(12) (2001) 1454-1456

130,149

2020-10-21

18:00:00

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1,200,002

4.85642

null

5.29074

null

6.18724

null

72.3626

null

86.9965

null

68.5473

null

140.7

null

3

P -1

-P 1

2

- Cu3 O8 P2 -

null

powder diffraction

null

has coordinates

()

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/1/20/00/1200002.cif $ #-------------------------------------------------------------------...

1,200,003

6.85128

null

8.11775

null

9.15352

null

90

null

109.3

null

90

null

480.481

null

3

C 1 2/c 1

-C 2yc

15

- Cu2 O7 P2 -

- Cu8 O28 P8 -

null

powder diffraction

null

has coordinates

()

198,387

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-07-04 18:48:19 +0300 (Tue, 04 Jul 2017) $ #$Revision: 198387 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/20/00/1200003.cif $ #-------------------------------------------------------------------...

1,200,004

4.742

null

8.575

null

6.699

null

90

null

90

null

90

null

272.4

null

3

P b n m

-P 2c 2ab

62

Magnesium sulfate - β

- Mg O4 S -

- Mg4 O16 S4 -

4

0.5

Coing-Boyat, J.

Structure de la forme hautes temperatures du sulfate anhydre de magnesium, β-MgSO~4~

Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences

1,962

255

1962

1964

null

0.144

null

1,100,076

null

has coordinates

Coing-Boyat, J. Structure de la forme hautes temperatures du sulfate anhydre de magnesium, β-MgSO~4~ Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 255 (1962) 1962-1964

200,088

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-09-02 00:54:18 +0300 (Sat, 02 Sep 2017) $ #$Revision: 200088 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/20/00/1200004.cif $ #-------------------------------------------------------------------...

7,015,090

13.814

0.0002

13.814

0.0002

19.9012

0.0002

90

null

90

null

120

null

3,288.89

0.08

120

2

120

2

null

6

P 3 1 c

P 3 -2c

159

- C12 H47.88 Br1.96 Co28.18 K O69.65 -

- C12 H43 Br1.953 Co28.18 K O69.6504 -

- C24 H86 Br3.906 Co56.36 K2 O139.301 -

2

0.333333

Keene, Tony D.; Light, Mark E.; Hursthouse, Michael B.; Price, Daniel J.

Structure and magnetism of new hybrid cobalt hydroxide materials built from decorated brucite layers.

Dalton transactions (Cambridge, England : 2003)

2,011

40

12

2983

2994

10.1039/c0dt01007c

0.71073

MoKα

0.042

0.0405

null

0.099

0.1003

null

1.052

null

has coordinates,has disorder

Keene, Tony D.; Light, Mark E.; Hursthouse, Michael B.; Price, Daniel J. Structure and magnetism of new hybrid cobalt hydroxide materials built from decorated brucite layers. Dalton transactions (Cambridge, England : 2003) 40(12) (2011) 2983-2994

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/7/01/50/7015090.cif $ #-------------------------------------------------------------------...

1,200,005

11.795

0.005

2.91

0.01

5.621

0.007

90

null

103.79

null

90

null

187.4

null

2

C 1 2/m 1

-C 2y

12

Aluminium oxide - $-theta

- Al2 O3 -

- Al8 O12 -

4

0.5

Husson, E; Repelin, Y

Structural studies of transition aluminas. Theta alumina

European Journal of Solid State Inorganic Chemistry

1,996

33

1223

1231

null

0.06

null

has coordinates

Husson, E; Repelin, Y Structural studies of transition aluminas. Theta alumina European Journal of Solid State Inorganic Chemistry 33 (1996) 1223-1231

201,954

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-10-13 02:32:00 +0300 (Fri, 13 Oct 2017) $ #$Revision: 201954 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/20/00/1200005.cif $ #-------------------------------------------------------------------...

1,200,006

9.794

0.005

8.906

0.005

5.319

0.003

90

null

105.9

0.03

90

null

446.2

null

from Hessereau Hill, Oka, Quebec

6

C 1 2/c 1

-C 2yc

15

Magnesium iron calcium aluminium silicate *

Augite

- Al0.7 Ca Fe0.2 Mg0.6 O6 Si1.5 -

- Al2.8 Ca4 Fe0.8 Mg2.4 O24 Si6 -

4

0.5

Peacor, D R

Refinement of the Crystal Structure of a Pyroxene of Formula M1 M2 (Si1.5 Al.5) O6

American Mineralogist

1,967

52

31

41

null

0.064

null

has coordinates

Peacor, D R Refinement of the Crystal Structure of a Pyroxene of Formula M1 M2 (Si1.5 Al.5) O6 American Mineralogist 52 (1967) 31-41

176,435

2020-10-21

18:00:00

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1,200,007

5.583

0.005

14.58

0.02

5.374

0.005

90

null

90

null

90

null

437.4

null

4

I b m 2

I 2 -2b

46

Calcium iron aluminium oxide (2/1.3/0.7/5)

- Al0.72 Ca2 Fe1.28 O5 -

- Al2.88 Ca8 Fe5.12 O20 -

4

0.5

Colville, A A; Geller, S

Crystal structures of Ca~2~ Fe~1.43~ Al~0.57~ O~5~ and Ca~2~ Fe~1.28~ Al~0.72~ O~5~

Acta Crystallographica B (24,1968-38,1982)

1,972

28

3196

3200

10.1107/S0567740872007733

null

0.032

null

has coordinates

Colville, A A; Geller, S Crystal structures of Ca~2~ Fe~1.43~ Al~0.57~ O~5~ and Ca~2~ Fe~1.28~ Al~0.72~ O~5~ Acta Crystallographica B (24,1968-38,1982) 28 (1972) 3196-3200

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/1/20/00/1200007.cif $ #-------------------------------------------------------------------...

1,200,008

5.58

null

14.5

null

5.34

null

90

null

90

null

90

null

432.1

null

4

P c m n

-P 2n 2ac

62

Diiron(III) dialuminium tetracalcium oxide

- Al2 Ca4 Fe2 O10 -

- Al4 Ca8 Fe4 O20 -

2

0.25

Bertaut, E F; Blum, P; Sagnieres, A

Structure du Ferrite Bicalcique et de la Brownmillerite

Acta Crystallographica (1,1948-23,1967)

1,959

12

149

159

10.1107/S0365110X59000433

null

1,008,124

null

has coordinates

Bertaut, E F; Blum, P; Sagnieres, A Structure du Ferrite Bicalcique et de la Brownmillerite Acta Crystallographica (1,1948-23,1967) 12 (1959) 149-159

130,149

2020-10-21

18:00:00

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1,200,009

5.584

0.005

14.6

0.01

5.374

0.005

90

null

90

null

90

null

438.1

null

4

I b m 2

I 2 -2b

46

Calcium iron(III) aluminium oxide (2/1.5/0.5/5)

Brownmillerite

- Al Ca2 Fe O5 -

- Al4 Ca8 Fe4 O20 -

4

0.5

Colville, A A; Geller, S

The Crystal Structure of Brownmillerite, Ca2 Fe Al O5

Acta Crystallographica B (24,1968-38,1982)

1,971

27

2311

2315

10.1107/S056774087100579X

null

0.027

null

has coordinates

Colville, A A; Geller, S The Crystal Structure of Brownmillerite, Ca2 Fe Al O5 Acta Crystallographica B (24,1968-38,1982) 27 (1971) 2311-2315

130,149

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/20/00/1200009.cif $ #-------------------------------------------------------------------...

1,200,010

5.58

null

14.5

null

5.34

null

90

null

90

null

90

null

432.1

null

4

P c m n

-P 2n 2ac

62

Iron(III) aluminium oxide bis(calcium oxide) *

Brownmillerite

- Al Ca2 Fe O5 -

- Al4 Ca8 Fe4 O20 -

4

0.5

Bertaut, F; Blum, P; Sagnieres, A

La structure du ferrite dicalcique et de la Brownmillerite.

Acta Crystallographica (1,1948-23,1967)

1,959

12

149

159

10.1107/S0365110X59000433

null

1,008,724

null

has coordinates

Bertaut, F; Blum, P; Sagnieres, A La structure du ferrite dicalcique et de la Brownmillerite. Acta Crystallographica (1,1948-23,1967) 12 (1959) 149-159

130,149

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/20/00/1200010.cif $ #-------------------------------------------------------------------...

1,200,011

7.456

0.006

10.08

0.01

5.776

0.005

90

null

90

null

90

null

434.1

null

3

P n a m

-P 2c 2n

62

Potassium sulfate - $-beta

- K2 O4 S -

- K8 O16 S4 -

4

0.5

Robinson, Mark T.

The crystal structures of β-K~2~SO~4~ and of β-K~2~PO~3~F

Journal of Physical Chemistry

1,958

62

8

925

928

10.1021/j150566a007

null

0.095

null

has coordinates

Robinson, Mark T. The crystal structures of β-K~2~SO~4~ and of β-K~2~PO~3~F Journal of Physical Chemistry 62(8) (1958) 925-928

301,774

2025-08-18

12:44:28

#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:44:20 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301774 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/20/00/1200011.cif $ #-------------------------------------------------------------------...

1,200,012

5.7704

0.0003

10.0712

0.0009

7.4776

0.0004

90

null

90

null

90

null

434.6

null

296

null

296

null

3

P m c n

-P 2n 2a

62

Dipotassium sulfate

- K2 O4 S -

- K8 O16 S4 -

4

0.5

Ojima, K.; Nishihata, Y.; Sawada, A.

Structure of potassium sulfate at temperatures from 296 K down to 15 K

Acta Crystallographica, Section B: Structural Science

1,995

51

3

287

293

10.1107/S0108768194013327

0.70926

Mo

0.036

null

2,101,318

null

has coordinates

Ojima, K.; Nishihata, Y.; Sawada, A. Structure of potassium sulfate at temperatures from 296 K down to 15 K Acta Crystallographica, Section B: Structural Science 51(3) (1995) 287-293

209,648

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2018-08-13 06:59:52 +0300 (Mon, 13 Aug 2018) $ #$Revision: 209648 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/20/00/1200012.cif $ #-------------------------------------------------------------------...

1,200,013

5.425

0.001

5.425

0.001

9.836

0.004

90

null

90

null

120

null

250.7

null

3

R -3 m :H

-R 3 2"

166

Potasium nitrate - β

- K N O3 -

- K3 N3 O9 -

3

0.083333

Nimmo, J. K.; Lucas, B. W.

The crystal structures of γ- and β-KNO~3~ and the α ←γ ←β phase transformations

Acta Crystallographica B (24,1968-38,1982)

1,976

32

7

1968

1971

10.1107/S0567740876006894

null

0.13

null

has coordinates

Nimmo, J. K.; Lucas, B. W. The crystal structures of γ- and β-KNO~3~ and the α ←γ ←β phase transformations Acta Crystallographica B (24,1968-38,1982) 32(7) (1976) 1968-1971

189,448

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-12-27 16:31:08 +0200 (Tue, 27 Dec 2016) $ #$Revision: 189448 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/20/00/1200013.cif $ #-------------------------------------------------------------------...

7,015,089

16.004

0.003

15.268

0.003

15.745

0.003

90

null

90

null

90

null

3,847.3

1.3

150

2

150

2

null

6

P n n m

-P 2 2n

58

- C35 H37 Cl2 N6 Ni3 O9.5 -

- C35 H34 Cl2 N6 Ni3 O9.5 -

- C140 H136 Cl8 N24 Ni12 O38 -

4

0.5

Naiya, Subrata; Wang, Hui-Sheng; Drew, Michael G. B.; Song, You; Ghosh, Ashutosh

Structural and magnetic studies of Schiff base complexes of nickel(II) nitrite: change in crystalline state, ligand rearrangement and a very rare μ-nitrito-1κO:2κN:3κO' bridging mode.

Dalton transactions (Cambridge, England : 2003)

2,011

40

12

2744

2756

10.1039/c0dt00978d

0.71073

MoKα

0.0975

0.0721

null

0.1995

0.2122

null

0.997

null

has coordinates

Naiya, Subrata; Wang, Hui-Sheng; Drew, Michael G. B.; Song, You; Ghosh, Ashutosh Structural and magnetic studies of Schiff base complexes of nickel(II) nitrite: change in crystalline state, ligand rearrangement and a very rare μ-nitrito-1κO:2κN:3κO' bridging mode. Dalton transactions (Cambridge, England : 2003) 40(12) ...

176,453

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $ #$Revision: 176453 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/50/7015089.cif $ #-------------------------------------------------------------------...

1,200,014

4.812

0.001

4.812

0.001

16.02

0.003

90

null

90

null

120

null

321.3

null

from Oberdorf, Styria, Austria

4

R -3 :H

-R 3

148

Calcium magnesium carbonate

Dolomite

- C2 Ca Mg O6 -

- C6 Ca3 Mg3 O18 -

3

0.166667

Beran, A.; Zemann, J.

Refinement and comparison of the crystal structures of a dolomite and of an Fe-rich ankerite

TMPM, Tschermaks Mineralogische und Petrographische Mitteilungen

1,977

24

4

279

286

10.1007/BF01081130

null

0.029

null

has coordinates

Beran, A.; Zemann, J. Refinement and comparison of the crystal structures of a dolomite and of an Fe-rich ankerite TMPM, Tschermaks Mineralogische und Petrographische Mitteilungen 24(4) (1977) 279-286

303,120

2025-10-31

16:25:08

#------------------------------------------------------------------------------ #$Date: 2025-10-31 18:24:25 +0200 (Fri, 31 Oct 2025) $ #$Revision: 303120 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/20/00/1200014.cif $ #-------------------------------------------------------------------...

1,200,015

7.906

null

7.906

null

7.906

null

90

null

90

null

90

null

494.2

null

2

F d -3 m :1

F 4d 2 3 -1d

227

Aluminium oxide - η

- Al2.66 O4 -

- Al2.669 O4 -

- Al21.352 O32 -

8

0.041667

Shirasuka, K.; Yanagida, H.; Yamaguchi, G.

The Preparation of η Alumina and its Structure

Journal of the Ceramic Association, Japan

1,976

84

976

610

613

10.2109/jcersj1950.84.976_610

null

0.06

null

has coordinates

Shirasuka, K.; Yanagida, H.; Yamaguchi, G. The Preparation of η Alumina and its Structure Journal of the Ceramic Association, Japan 84(976) (1976) 610-613

201,954

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-10-13 02:32:00 +0300 (Fri, 13 Oct 2017) $ #$Revision: 201954 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/20/00/1200015.cif $ #-------------------------------------------------------------------...

1,200,016

8.684

0.001

5.078

0.001

9.736

0.002

90

null

94.54

0.01

90

null

428

null

Langesundfjord, Norway

3

P 1 21/n 1

-P 2yn

14

Aluminium hydroxide

Gibbsite

- Al H3 O3 -

- Al8 H24 O24 -

8

2

Saalfeld, H; Wedde, M

Refinement of the crystal structure of gibbsite, Al (O H)3

Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)

1,974

139

129

135

null

0.032

null

has coordinates

Saalfeld, H; Wedde, M Refinement of the crystal structure of gibbsite, Al (O H)3 Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 139 (1974) 129-135

282,068

2023-03-26

10:11:44

#------------------------------------------------------------------------------ #$Date: 2023-03-26 11:09:57 +0300 (Sun, 26 Mar 2023) $ #$Revision: 282068 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/20/00/1200016.cif $ #-------------------------------------------------------------------...

1,200,017

2.47

null

2.47

null

6.79

null

90

null

90

null

120

null

35.9

null

from Kropfm}hl, Bavaria

1

P 63 m c

P 6c -2c

186

Carbon

Graphite 2H

- C -

- C4 -

4

0.333333

Hassel, O

Ueber die Kristallstruktur des Graphits

Zeitschrift fuer Physik

1,924

25

317

337

10.1007/BF01327534

null

has coordinates

Hassel, O Ueber die Kristallstruktur des Graphits Zeitschrift fuer Physik 25 (1924) 317-337

202,022

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-10-15 03:23:08 +0300 (Sun, 15 Oct 2017) $ #$Revision: 202022 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/20/00/1200017.cif $ #-------------------------------------------------------------------...

1,200,018

3.635

null

3.635

null

3.635

null

39.49

null

39.49

null

39.49

null

17.5

null

Ceylon, Bavaria

1

R -3 m :R

-P 3* 2

166

Carbon

Graphite 3R

- C -

- C2 -

2

0.166667

Lipson, H.; Stokes, A. R.

The Structure of Graphite

Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences

1,942

181

984

101

105

10.1098/rspa.1942.0063

null

has coordinates

Lipson, H.; Stokes, A. R. The Structure of Graphite Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences 181(984) (1942) 101-105

303,120

2025-10-31

16:25:08

#------------------------------------------------------------------------------ #$Date: 2025-10-31 18:24:25 +0200 (Fri, 31 Oct 2025) $ #$Revision: 303120 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/20/00/1200018.cif $ #-------------------------------------------------------------------...

1,200,019

2.49

null

2.49

null

4.144

null

90

null

90

null

120

null

22.3

null

1

P 63 m c

P 6c -2c

186

Carbon

Lonsdaleite

- C -

- C4 -

4

0.333333

Yeh, C; Lu, Z W; Froyen, S; Zunger, A

Zinc-blende-Wurtzite polytypism in semiconductors

Physical Review, Serie 3. B - Condensed Matter (18,1978-)

1,992

46

16

10086

10097

10.1103/PhysRevB.46.10086

null

has coordinates

Yeh, C; Lu, Z W; Froyen, S; Zunger, A Zinc-blende-Wurtzite polytypism in semiconductors Physical Review, Serie 3. B - Condensed Matter (18,1978-) 46(16) (1992) 10086-10097

130,149

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/20/00/1200019.cif $ #-------------------------------------------------------------------...

1,200,020

3.7021

0.0005

3.7021

0.0005

18.593

0.004

90

null

90

null

90

null

254.83

0.07

293

2

293

2

null

3

I 4/m m m

-I 4 2

139

Nickel Antimonide Selenide

- Ni5.72 Sb Se2 -

- Ni5.718 Sb Se2 -

- Ni11.436 Sb2 Se4 -

2

0.0625

Thomas K. Reynolds; Joshua G. Bales; Francis J. DiSalvo

Synthesis and Properties of a New Metal-Rich Nickel Antimonide Telluride or Selenide: Ni7-SbX2 ( δ ≈ 1.3; X = Se or Te)

Chemistry of Materials

2,002

14

11

4746

4751

10.1021/cm020585r

0.71073

MoKα

0.0534

null

0.1199

null

1.279

null

has coordinates

Thomas K. Reynolds; Joshua G. Bales; Francis J. DiSalvo Synthesis and Properties of a New Metal-Rich Nickel Antimonide Telluride or Selenide: Ni7-SbX2 ( δ ≈ 1.3; X = Se or Te) Chemistry of Materials 14(11) (2002) 4746-4751

176,729

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/20/00/1200020.cif $ #-------------------------------------------------------------------...

7,015,088

9.6826

0.0017

33.861

0.01

10.8615

0.0008

90

null

110.332

0.013

90

null

3,339.2

1.2

150

2

150

2

null

6

P 1 21/n 1

-P 2yn

14

- C26 H40 Cl N7 Ni2 O10 -

- C104 H160 Cl4 N28 Ni8 O40 -

4

1

Naiya, Subrata; Wang, Hui-Sheng; Drew, Michael G. B.; Song, You; Ghosh, Ashutosh

Structural and magnetic studies of Schiff base complexes of nickel(II) nitrite: change in crystalline state, ligand rearrangement and a very rare μ-nitrito-1κO:2κN:3κO' bridging mode.

Dalton transactions (Cambridge, England : 2003)

2,011

40

12

2744

2756

10.1039/c0dt00978d

0.71073

MoKα

0.1118

0.0778

null

0.14

0.1491

null

1.101

null

has coordinates

Naiya, Subrata; Wang, Hui-Sheng; Drew, Michael G. B.; Song, You; Ghosh, Ashutosh Structural and magnetic studies of Schiff base complexes of nickel(II) nitrite: change in crystalline state, ligand rearrangement and a very rare μ-nitrito-1κO:2κN:3κO' bridging mode. Dalton transactions (Cambridge, England : 2003) 40(12) ...

301,847

2025-08-21

11:39:33

#------------------------------------------------------------------------------ #$Date: 2025-08-21 14:21:36 +0300 (Thu, 21 Aug 2025) $ #$Revision: 301847 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/50/7015088.cif $ #-------------------------------------------------------------------...

1,200,021

12.4556

0.0004

11.41

0.0007

9.8681

0.0007

90

null

101.318

0.004

90

null

1,375.2

0.1

297

null

3

P 1 21/a 1

-P 2yab

14

- C16 H12 O7 -

- C64 H48 O28 -

4

1

Fujii, Isao; Hirayama, Noriaki

Structure of Capillarisin

Analytical Sciences: X-ray Structure Analysis Online

2,003

19

X63

X64

10.2116/analscix.19.x63

1.5418

CuKα

null

0.04

null

0.148

null

1.21

null

has coordinates

Fujii, Isao; Hirayama, Noriaki Structure of Capillarisin Analytical Sciences: X-ray Structure Analysis Online 19 (2003) X63-X64

301,774

2025-08-18

12:44:28

#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:44:20 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301774 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/20/00/1200021.cif $ #-------------------------------------------------------------------...

1,500,001

10.303

null

10.303

null

10.303

null

90

null

90

null

90

null

1,093.68

null

2

F d -3 m :2

-F 4vw 2vw 3

227

Antimony Oxide (6/13)

- O13 Sb6 -

- O52 Sb24 -

4

0.020833

David J. Steward; Osvald Knop; Conrad Ayasse; F. W. D. Woodhams

Pyrochlores. VII. The oxides of antimony: an X-ray and Moessbauer study

Canadian Journal of Chemistry

1,972

50

690

700

10.1139/v72-106

null

has coordinates

David J. Steward; Osvald Knop; Conrad Ayasse; F. W. D. Woodhams Pyrochlores. VII. The oxides of antimony: an X-ray and Moessbauer study Canadian Journal of Chemistry 50 (1972) 690-700

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/1/50/00/1500001.cif $ #-------------------------------------------------------------------...

1,500,002

13.786

0.0007

9.4013

0.0005

17.6679

0.0009

90

null

98.672

0.001

90

null

2,263.7

0.2

298

2

298

2

null

6

C 1 2/c 1

-C 2yc

15

- C14 H22 Cd Cl4 N8 O2 -

- C56 H88 Cd4 Cl16 N32 O8 -

4

0.5

Carmen R. Maldonado; Miguel Quirós; Juan M. Salas

Chlorocadmate(II) salts of two 1,2,4-triazolo[1,5-a]pyrimidine derivatives

Journal of Molecular Structure

2,008

882

30

34

10.1016/j.molstruc.2007.09.004

0.71073

MoKα

0.0236

0.0222

null

0.058

0.059

null

1.061

null

has coordinates

Carmen R. Maldonado; Miguel Quirós; Juan M. Salas Chlorocadmate(II) salts of two 1,2,4-triazolo[1,5-a]pyrimidine derivatives Journal of Molecular Structure 882 (2008) 30-34

176,729

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/50/00/1500002.cif $ #-------------------------------------------------------------------...

1,500,003

12.8903

0.0006

13.1999

0.0007

14.7455

0.0007

90

null

117.673

0.001

90

null

2,221.96

0.19

293

2

293

2

null

6

P 1 21/c 1

-P 2ybc

14

- C14 H21 Cd N9 O9 S -

- C56 H84 Cd4 N36 O36 S4 -

4

1

Sonia B. Jiménez-Pulido; Fátima M. Linares-Ordoñez; Miguel N. Moreno-Carretero; Miguel Quirós

Versatile Coordinative Abilities of a New Hybrid Pteridine-Thiosemicarbazone Ligand: Crystal Structure, Spectroscopic Characterization, and Luminescent Properties

Inorganic Chemistry

2,008

47

1096

1106

10.1021/ic701994s

0.71073

MoKα

0.0521

0.0485

null

0.1437

0.1473

null

0.997

null

has coordinates

Sonia B. Jiménez-Pulido; Fátima M. Linares-Ordoñez; Miguel N. Moreno-Carretero; Miguel Quirós Versatile Coordinative Abilities of a New Hybrid Pteridine-Thiosemicarbazone Ligand: Crystal Structure, Spectroscopic Characterization, and Luminescent Properties Inorganic Chemistry 47 (2008) 1096-1106

176,729

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/50/00/1500003.cif $ #-------------------------------------------------------------------...

1,500,004

11.7543

0.0007

12.6823

0.0007

6.6836

0.0004

90

null

96.71

0.001

90

null

989.51

0.1

298

2

298

2

null

5

P 1 21/c 1

-P 2ybc

14

- C5 H5 Cd Cl3 N4 -

- C20 H20 Cd4 Cl12 N16 -

4

1

Carmen R. Maldonado; Miguel Quirós; Juan M. Salas

Chlorocadmate(II) salts of two 1,2,4-triazolo[1,5-a]pyrimidine derivatives

Journal of Molecular Structure

2,008

882

30

34

10.1016/j.molstruc.2007.09.004

0.71073

MoKα

0.0229

0.0214

null

0.055

0.0559

null

1.044

null

has coordinates

Carmen R. Maldonado; Miguel Quirós; Juan M. Salas Chlorocadmate(II) salts of two 1,2,4-triazolo[1,5-a]pyrimidine derivatives Journal of Molecular Structure 882 (2008) 30-34

176,729

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/50/00/1500004.cif $ #-------------------------------------------------------------------...

1,500,005

27.4534

0.0016

13.1997

0.0008

14.468

0.0008

90

null

90

null

90

null

5,242.9

0.5

298

2

298

2

null

5

P c c n

-P 2ab 2ac

56

Hexaammine cobalt(III) hydrogenarseniate tetrahydrate

- As3 Co2 H47 N12 O16 -

- As24 Co16 H376 N96 O128 -

8

1

Ritu Bala; Raj Pal Sharma; Rajni Sharma; Juan M. Salas; Miguel Quirós; William T.A. Harrison

Cationic cobaltammines as anion receptors: Synthesis, characterization an X-ray structure of bis-(hexaamminecobalt(III)) tris-(hydrogenarsenate) tetrahydrate

Journal of Molecular Structure

2,007

828

174

180

10.1016/j.molstruc.2006.05.047

0.71073

MoKα

0.0335

0.0264

null

0.06

0.0622

null

1.071

null

has coordinates

Ritu Bala; Raj Pal Sharma; Rajni Sharma; Juan M. Salas; Miguel Quirós; William T.A. Harrison Cationic cobaltammines as anion receptors: Synthesis, characterization an X-ray structure of bis-(hexaamminecobalt(III)) tris-(hydrogenarsenate) tetrahydrate Journal of Molecular Structure 828 (2007) 174-180

301,775

2025-08-18

14:01:15

#------------------------------------------------------------------------------ #$Date: 2025-08-18 16:30:32 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301775 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/50/00/1500005.cif $ #-------------------------------------------------------------------...

7,015,087

9.632

0.005

12.447

0.007

15.37

0.009

87.403

0.017

85.004

0.019

81.392

0.018

1,814

1.8

296

2

296

2

null

6

P -1

-P 1

2

- C29 H47 Cl N8 Ni2 O11 -

- C58 H94 Cl2 N16 Ni4 O22 -

2

1

Naiya, Subrata; Wang, Hui-Sheng; Drew, Michael G. B.; Song, You; Ghosh, Ashutosh

Structural and magnetic studies of Schiff base complexes of nickel(II) nitrite: change in crystalline state, ligand rearrangement and a very rare μ-nitrito-1κO:2κN:3κO' bridging mode.

Dalton transactions (Cambridge, England : 2003)

2,011

40

12

2744

2756

10.1039/c0dt00978d

0.71073

MoKα

0.0896

0.0498

null

0.1009

0.1159

null

1.011

null

has coordinates

Naiya, Subrata; Wang, Hui-Sheng; Drew, Michael G. B.; Song, You; Ghosh, Ashutosh Structural and magnetic studies of Schiff base complexes of nickel(II) nitrite: change in crystalline state, ligand rearrangement and a very rare μ-nitrito-1κO:2κN:3κO' bridging mode. Dalton transactions (Cambridge, England : 2003) 40(12) ...

301,847

2025-08-21

11:39:33

#------------------------------------------------------------------------------ #$Date: 2025-08-21 14:21:36 +0300 (Thu, 21 Aug 2025) $ #$Revision: 301847 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/50/7015087.cif $ #-------------------------------------------------------------------...

1,500,006

21.9843

0.0018

8.7959

0.0007

23.0121

0.0018

90

null

116.426

0.001

90

null

3,984.9

0.6

298

2

298

2

null

6

C 1 2/c 1

-C 2yc

15

- C11 H21.5 Cl Co N11 O5.25 -

- C88 H172 Cl8 Co8 N88 O42 -

8

1

Rajni Sharma; Raj Pal Sharma; Paloth Venugopalan; Miguel Quirós; Juan M. Salas; J. Yu; Y. Du

Capture of aromatic carboxylate anion through second sphere coordination: Topological complementarity of [cis-Co(en)~2~(N~3~)~2~]^+^ and C~7~H~3~ClNO~4~^-^ ions

Journal of Molecular Structure

2,008

885

7

14

10.1016/j.molstruc.2007.10.010

0.71073

MoKα

0.0433

0.0369

null

0.0923

0.0954

null

1.061

null

has coordinates

Rajni Sharma; Raj Pal Sharma; Paloth Venugopalan; Miguel Quirós; Juan M. Salas; J. Yu; Y. Du Capture of aromatic carboxylate anion through second sphere coordination: Topological complementarity of [cis-Co(en)~2~(N~3~)~2~]^+^ and C~7~H~3~ClNO~4~^-^ ions Journal of Molecular Structure 885 (2008) 7-14

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/1/50/00/1500006.cif $ #-------------------------------------------------------------------...

1,500,007

18.6201

0.001

12.0872

0.0006

24.0877

0.0012

90

null

90

null

90

null

5,421.3

0.5

298

2

298

2

null

7

P b c a

-P 2ac 2ab

61

- C8 H32 Br4 Cd Cl4 Co2 N8 -

- C64 H256 Br32 Cd8 Cl32 Co16 N64 -

8

1

Raj Pal Sharma; Rajni Sharma; Ritu Bala; Juan M. Salas; Miguel Quirós

Second sphere coordination complexes via hydrogen bonding: Synthesis, spectroscopic characterisation of [trans-Co(en)~2~Cl~2~]CdX~4~ (X = Br or I) and single crystal X-ray structure determination of [trans-Co(en)~2~Cl~2~]CdBr~4~

Journal of Molecular Structure

2,006

794

341

347

10.1016/j.molstruc.2006.02.053

0.71073

MoKα

0.0973

0.0727

null

0.2214

0.2409

null

1.055

null

has coordinates

Raj Pal Sharma; Rajni Sharma; Ritu Bala; Juan M. Salas; Miguel Quirós Second sphere coordination complexes via hydrogen bonding: Synthesis, spectroscopic characterisation of [trans-Co(en)~2~Cl~2~]CdX~4~ (X = Br or I) and single crystal X-ray structure determination of [trans-Co(en)~2~Cl~2~]CdBr~4~ Journal of Molecular ...

176,729

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/50/00/1500007.cif $ #-------------------------------------------------------------------...

1,500,008

12.8349

0.0009

18.7451

0.0013

16.002

0.0011

90

null

109.23

0.001

90

null

3,635.1

0.4

298

2

298

2

null

7

P 1 21 1

P 2yb

4

- C24 H112 Cl7 Co6 N24 O26 P5 -

- C24 H96 Cl7 Co6 N24 O26 P5 -

- C48 H192 Cl14 Co12 N48 O52 P10 -

2

1

Rajni Sharma; Raj Pal Sharma; Ritu Bala; Miguel Quirós; Juan M. Salas

A trinuclear cobalt(III) phosphate complex with a novel molecular structure: Synthesis and crystal structure of {[Co(en)~2~]~3~(PO~4~)(HPO~4~)}~2~(H~2~PO~4~)Cl~7~.6H~2~O

Inorganic Chemistry Communications

2,006

9

782

784

10.1016/j.inoche.2006.04.001

0.71073

MoKα

0.0457

0.0406

null

0.095

0.0975

null

1.038

null

has coordinates

Rajni Sharma; Raj Pal Sharma; Ritu Bala; Miguel Quirós; Juan M. Salas A trinuclear cobalt(III) phosphate complex with a novel molecular structure: Synthesis and crystal structure of {[Co(en)~2~]~3~(PO~4~)(HPO~4~)}~2~(H~2~PO~4~)Cl~7~.6H~2~O Inorganic Chemistry Communications 9 (2006) 782-784

176,729

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/50/00/1500008.cif $ #-------------------------------------------------------------------...

7,015,086

19.404

0.004

16.111

0.003

7.3647

0.0011

90

null

90.17

0.02

90

null

2,302.3

0.7

150

2

150

2

null

6

P 1 21/c 1

-P 2ybc

14

- C23 H38 Cl2 N6 Ni2 O9 -

- C23 H34 Cl2 N6 Ni2 O9 -

- C46 H68 Cl4 N12 Ni4 O18 -

2

0.5

Naiya, Subrata; Wang, Hui-Sheng; Drew, Michael G. B.; Song, You; Ghosh, Ashutosh

Structural and magnetic studies of Schiff base complexes of nickel(II) nitrite: change in crystalline state, ligand rearrangement and a very rare μ-nitrito-1κO:2κN:3κO' bridging mode.

Dalton transactions (Cambridge, England : 2003)

2,011

40

12

2744

2756

10.1039/c0dt00978d

0.71073

MoKα

0.1878

0.087

null

0.2072

0.2305

null

0.804

null

has coordinates,has disorder

Naiya, Subrata; Wang, Hui-Sheng; Drew, Michael G. B.; Song, You; Ghosh, Ashutosh Structural and magnetic studies of Schiff base complexes of nickel(II) nitrite: change in crystalline state, ligand rearrangement and a very rare μ-nitrito-1κO:2κN:3κO' bridging mode. Dalton transactions (Cambridge, England : 2003) 40(12) ...

179,854

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-25 13:37:44 +0200 (Fri, 25 Mar 2016) $ #$Revision: 179854 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/50/7015086.cif $ #-------------------------------------------------------------------...

1,500,009

10.2635

0.0018

9.048

0.0015

9.752

0.002

90

null

104.493

0.012

90

null

876.8

0.3

293

2

293

2

null

5

P 1 21/c 1

-P 2ybc

14

- C8 H26 Co N7 O8 -

- C16 H52 Co2 N14 O16 -

2

0.5

Raj Pal Sharma; Bal Krishan Vermani; Rajni Sharma; Ritu Bala; Dip Singh Gill; Juan M. Salas; Miguel Quirós

Synthesis, spectroscopic characterization and X-ray structure determinations and packing of tetralkylammonium trans-diamminetetranitrocobaltate(III) complex salts where alkyl = methyl or ehtyl

Journal of Molecular Structure

2,006

784

222

227

10.1016/j.molstruc.2005.09.008

0.71073

MoKα

0.0512

0.0408

null

0.1096

0.1184

null

1.05

null

has coordinates

Raj Pal Sharma; Bal Krishan Vermani; Rajni Sharma; Ritu Bala; Dip Singh Gill; Juan M. Salas; Miguel Quirós Synthesis, spectroscopic characterization and X-ray structure determinations and packing of tetralkylammonium trans-diamminetetranitrocobaltate(III) complex salts where alkyl = methyl or ehtyl Journal of Molecular...

176,729

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/50/00/1500009.cif $ #-------------------------------------------------------------------...

1,500,010

6.1926

0.0007

18.248

0.003

6.2335

0.0006

90

null

90.078

0.007

90

null

704.41

0.16

293

2

293

2

null

5

P 1 21/m 1

-P 2yb

11

- C4 H18 Co N7 O8 -

- C8 H36 Co2 N14 O16 -

2

0.5

Raj Pal Sharma; Bal Krishan Vermani; Rajni Sharma; Ritu Bala; Dip Singh Gill; Juan M. Salas; Miguel Quirós

Synthesis, spectroscopic characterization and X-ray structure determinations and packing of tetralkylammonium trans-diamminetetranitrocobaltate(III) complex salts where alkyl = methyl or ehtyl

Journal of Molecular Structure

2,006

784

222

227

10.1016/j.molstruc.2005.09.008

0.71073

MoKα

0.0999

0.0868

null

0.2891

0.2981

null

1.236

null

has coordinates

Raj Pal Sharma; Bal Krishan Vermani; Rajni Sharma; Ritu Bala; Dip Singh Gill; Juan M. Salas; Miguel Quirós Synthesis, spectroscopic characterization and X-ray structure determinations and packing of tetralkylammonium trans-diamminetetranitrocobaltate(III) complex salts where alkyl = methyl or ehtyl Journal of Molecular...

301,775

2025-08-18

14:01:15

#------------------------------------------------------------------------------ #$Date: 2025-08-18 16:30:32 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301775 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/50/00/1500010.cif $ #-------------------------------------------------------------------...

1,500,011

14.9599

0.0007

19.0064

0.0009

23.4883

0.0011

90

null

90

null

90

null

6,678.5

0.5

298

2

298

2

null

6

P b c a

-P 2ac 2ab

61

- C24 H29 Cl2 Co N9 O12 -

- C24 H18 Cl2 Co N9 O12 -

- C192 H144 Cl16 Co8 N72 O96 -

8

1

Sonia B. Jiménez-Pulido; Fátima M. Linares-Ordoñez; José M. Martínez-Martos; Miguel N. Moreno-Carretero; Miguel Quirós; María J. Ramírez-Expósito

Metal complexes with the ligand derived from 6-acetyl-1,3,7-trimethyllumazine and benzohydrazide. Molecular structures of two new Co(II) and Rh(III) complexes and analysis of in vitro antitumor activity

Journal of Inorganic Biochemistry

2,008

102

1677

1683

10.1016/j.jinorgbio.2008.04.004

0.71073

MoKα

0.1015

0.0713

null

0.2027

0.2247

null

1.052

null

has coordinates

Sonia B. Jiménez-Pulido; Fátima M. Linares-Ordoñez; José M. Martínez-Martos; Miguel N. Moreno-Carretero; Miguel Quirós; María J. Ramírez-Expósito Metal complexes with the ligand derived from 6-acetyl-1,3,7-trimethyllumazine and benzohydrazide. Molecular structures of two new Co(II) and Rh(III) complexes and analysis of...

176,729

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/50/00/1500011.cif $ #-------------------------------------------------------------------...

7,015,085

12.193

0.002

13.033

0.002

16.319

0.003

113.015

0.003

103.473

0.003

99.218

0.003

2,227.8

0.7

100

2

100

2

null

7

P -1

-P 1

2

- C41 H43 Cl2 F6 N10 P Ru2 -

- C82 H86 Cl4 F12 N20 P2 Ru4 -

2

1

Mola, Joaquim; Dinoi, Chiara; Sala, Xavier; Rodríguez, Montserrat; Romero, Isabel; Parella, Teodor; Fontrodona, Xavier; Llobet, Antoni

A new dinuclear Ru-Hbpp based water oxidation catalyst with a trans-disposition of the Ru-OH.

Dalton transactions (Cambridge, England : 2003)

2,011

40

14

3640

3646

10.1039/c0dt00964d

0.71073

MoKα

0.138

0.0744

null

0.1796

0.2099

null

1.036

null

has coordinates

Mola, Joaquim; Dinoi, Chiara; Sala, Xavier; Rodríguez, Montserrat; Romero, Isabel; Parella, Teodor; Fontrodona, Xavier; Llobet, Antoni A new dinuclear Ru-Hbpp based water oxidation catalyst with a trans-disposition of the Ru-OH. Dalton transactions (Cambridge, England : 2003) 40(14) (2011) 3640-3646

179,854

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-25 13:37:44 +0200 (Fri, 25 Mar 2016) $ #$Revision: 179854 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/50/7015085.cif $ #-------------------------------------------------------------------...

1,500,012

24.778

0.002

30.457

0.002

6.5364

0.0005

90

null

90

null

90

null

4,932.8

0.7

298

2

298

2

null

6

F d d 2

F 2 -2d

43

- C8 H32 Co2 Cr2 N12 O15 -

- C64 H256 Co16 Cr16 N96 O120 -

8

0.5

Raj Pal Sharma; Rajni Sharma; Ritu Bala; Juan M. Salas; Miguel Quirós

Synthesis, spectroscopic characterisation and X-ray structure of [trans-Co(en)~2~(NO~2~)~2~]~2~(Cr~2~O~7~)

Journal of Chemical Crystallography

2,005

35

10

769

775

10.1007/s10870-005-3886-9

0.71073

MoKα

0.066

0.0617

null

0.1518

0.155

null

1.094

null

has coordinates

Raj Pal Sharma; Rajni Sharma; Ritu Bala; Juan M. Salas; Miguel Quirós Synthesis, spectroscopic characterisation and X-ray structure of [trans-Co(en)~2~(NO~2~)~2~]~2~(Cr~2~O~7~) Journal of Chemical Crystallography 35(10) (2005) 769-775

174,896

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-01-24 04:15:28 +0200 (Sun, 24 Jan 2016) $ #$Revision: 174896 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/50/00/1500012.cif $ #-------------------------------------------------------------------...

1,500,013

9.5677

0.0005

12.4114

0.0006

13.3517

0.0006

75.465

0.001

71.674

0.001

78.059

0.001

1,442.71

0.12

100

2

100

2

null

6

P -1

-P 1

2

- C22 H20 Cl2 Cu N10 O10 -

- C44 H40 Cl4 Cu2 N20 O20 -

2

1

Carmen R. Maldonado; Miguel Quirós; Juan M. Salas

Copper(II) complexes with 1,2,4-triazolo[1,5-a]pyrimidine and its 5,7-dimethyl derivative

Polyhedron

2,008

27

2779

2784

10.1016/j.poly.2008.06.001

0.71073

MoKα

0.0321

0.0306

null

0.0817

0.0826

null

1.051

null

has coordinates

Carmen R. Maldonado; Miguel Quirós; Juan M. Salas Copper(II) complexes with 1,2,4-triazolo[1,5-a]pyrimidine and its 5,7-dimethyl derivative Polyhedron 27 (2008) 2779-2784

301,775

2025-08-18

14:01:15

#------------------------------------------------------------------------------ #$Date: 2025-08-18 16:30:32 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301775 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/50/00/1500013.cif $ #-------------------------------------------------------------------...