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

1,100,997

15.445

0.004

17.21

0.004

18.456

0.005

63.653

0.004

67.259

0.004

80.343

0.004

4,054.3

1.7

193

2

193

2

null

4

P -1

-P 1

2

- C28 Mo36 N8 O160 -

1

0.5

Kazuo Eda; Yuichi Iriki

Chemistry Letters

null

0.71073

MoKα

0.0794

0.0658

null

0.1539

0.1612

null

1.07

8,000,016

null

has coordinates,has disorder

Kazuo Eda; Yuichi Iriki Chemistry Letters ()

277,831

2022-09-14

14:31:32

#------------------------------------------------------------------------------ #$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/1/10/09/1100997.cif $ #-------------------------------------------------------------------...

1,100,998

14.407

0.004

7.529

0.0018

9.318

0.002

90

null

102.426

0.004

90

null

987.1

0.4

296

2

296

2

null

4

P 1 21/c 1

-P 2ybc

14

n-heptylurea

- C8 H18 N2 O -

- C32 H72 N8 O4 -

4

1

Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi

Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study

Journal of Molecular Structure

2,005

734

1-3

23

33

10.1016/j.molstruc.2004.08.008

0.71073

MoKα

0.1446

0.0786

null

0.1945

0.2253

null

0.897

null

has coordinates

Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study Journal of Molecular Structure 734(1-3) (2005) 23-33

301,773

2025-08-18

12:42:42

#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:40:47 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301773 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/09/1100998.cif $ #-------------------------------------------------------------------...

1,100,999

15.425

0.004

17.603

0.005

18.426

0.005

64.772

0.005

67.794

0.004

79.16

0.006

4,188

2

193

2

193

2

null

4

P -1

-P 1

2

- C32 Mo36 N8 O156 -

1

0.5

Kazuo Eda; Yuichi Iriki

Chemistry Letters

null

0.71073

MoKα

0.1342

0.0846

null

0.2081

0.2348

null

0.976

null

has coordinates

Kazuo Eda; Yuichi Iriki Chemistry Letters ()

277,831

2022-09-14

14:31:32

#------------------------------------------------------------------------------ #$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/1/10/09/1100999.cif $ #-------------------------------------------------------------------...

1,101,000

16.407

0.018

7.558

0.009

9.321

0.011

90

null

93.17

0.03

90

null

1,154

2

360

2

360

2

null

4

P 1 21/c 1

-P 2ybc

14

n-octylurea

- C9 H20 N2 O -

- C9 H15 N2 O -

- C36 H60 N8 O4 -

4

1

Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi

Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study

Journal of Molecular Structure

2,005

734

1-3

23

33

10.1016/j.molstruc.2004.08.008

0.71073

MoKα

0.2218

0.1206

null

0.2751

0.3131

null

0.781

null

has coordinates

Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study Journal of Molecular Structure 734(1-3) (2005) 23-33

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/1/10/10/1101000.cif $ #-------------------------------------------------------------------...

1,101,001

32.02

0.006

7.4123

0.0014

9.3147

0.0017

90

null

97.939

0.004

90

null

2,189.6

0.7

299

2

299

2

null

4

C 1 2/c 1

-C 2yc

15

n-octylurea

- C9 H20 N2 O -

- C72 H160 N16 O8 -

8

1

Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi

Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study

Journal of Molecular Structure

2,005

734

1-3

23

33

10.1016/j.molstruc.2004.08.008

0.71073

MoKα

0.093

0.0607

null

0.1587

0.1725

null

0.955

null

has coordinates

Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study Journal of Molecular Structure 734(1-3) (2005) 23-33

301,773

2025-08-18

12:42:42

#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:40:47 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301773 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/10/1101001.cif $ #-------------------------------------------------------------------...

1,101,002

17.774

0.004

7.4623

0.0016

9.264

0.002

90

null

103.726

0.004

90

null

1,193.7

0.5

297

2

297

2

null

4

P 1 21/c 1

-P 2ybc

14

n-nonylurea

- C10 H22 N2 O -

- C40 H88 N8 O4 -

4

1

Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi

Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study

Journal of Molecular Structure

2,005

734

1-3

23

33

10.1016/j.molstruc.2004.08.008

0.71073

MoKα

0.1056

0.0566

null

0.1357

0.1549

null

0.856

null

has coordinates

Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study Journal of Molecular Structure 734(1-3) (2005) 23-33

301,773

2025-08-18

12:42:42

#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:40:47 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301773 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/10/1101002.cif $ #-------------------------------------------------------------------...

1,101,003

19.386

0.003

14.7539

0.0018

18.465

0.002

70.538

0.002

85.632

0.003

123.229

0.002

3,934.9

0.9

193

2

193

2

null

4

P -1

-P 1

2

- C40 Mo36 N8 O142 -

1

0.5

Kazuo Eda; Yuichi Iriki

Chemistry Letters

null

0.71073

MoKα

0.1183

0.0773

null

0.1894

0.2184

null

0.968

null

has coordinates

Kazuo Eda; Yuichi Iriki Chemistry Letters ()

277,831

2022-09-14

14:31:32

#------------------------------------------------------------------------------ #$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/1/10/10/1101003.cif $ #-------------------------------------------------------------------...

1,101,004

18.336

0.004

7.5383

0.0015

9.2943

0.0019

90

null

94.584

0.004

90

null

1,280.5

0.4

296

2

296

2

null

4

P 1 21/c 1

-P 2ybc

14

n-decylurea

- C11 H24 N2 O -

- C44 H96 N8 O4 -

4

1

Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi

Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study

Journal of Molecular Structure

2,005

734

1-3

23

33

10.1016/j.molstruc.2004.08.008

0.71073

MoKα

0.131

0.0474

null

0.0968

0.1126

null

0.786

null

has coordinates

Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study Journal of Molecular Structure 734(1-3) (2005) 23-33

301,773

2025-08-18

12:42:42

#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:40:47 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301773 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/10/1101004.cif $ #-------------------------------------------------------------------...

7,015,119

20.982

0.004

14.49

0.003

22.263

0.005

90

null

96.22

0.03

90

null

6,729

2

123

2

123

2

null

6

P 1 21/c 1

-P 2ybc

14

- C20 H46.5 Cu2 Mo N16 O5.25 -

- C20 H36 Cu2 Mo N16 O5.25 -

- C160 H288 Cu16 Mo8 N128 O42 -

8

2

Zhang, Wen; Sun, Hao-Ling; Sato, Osamu

Synthesis, characterization, and photoresponsive properties of a series of Mo(IV)-Cu(II) complexes.

Dalton transactions (Cambridge, England : 2003)

2,011

40

12

2735

2743

10.1039/c0dt01213k

0.71073

MoKα

0.0516

0.044

null

0.0987

0.1033

null

1.149

null

has coordinates,has disorder

Zhang, Wen; Sun, Hao-Ling; Sato, Osamu Synthesis, characterization, and photoresponsive properties of a series of Mo(IV)-Cu(II) complexes. Dalton transactions (Cambridge, England : 2003) 40(12) (2011) 2735-2743

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/7/01/51/7015119.cif $ #-------------------------------------------------------------------...

1,101,005

18.007

0.004

7.5233

0.0015

9.2731

0.0018

90

null

96.371

0.004

90

null

1,248.5

0.4

233

2

233

2

null

4

P 1 21/c 1

-P 2ybc

14

n-decylurea

- C11 H24 N2 O -

- C44 H96 N8 O4 -

4

1

Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi

Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study

Journal of Molecular Structure

2,005

734

1-3

23

33

10.1016/j.molstruc.2004.08.008

0.71073

MoKα

0.1258

0.0517

null

0.1201

0.1425

null

0.754

null

has coordinates

Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study Journal of Molecular Structure 734(1-3) (2005) 23-33

301,773

2025-08-18

12:42:42

#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:40:47 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301773 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/10/1101005.cif $ #-------------------------------------------------------------------...

1,101,006

16.552

0.003

17.108

0.003

17.298

0.003

67.803

0.003

68.165

0.003

81.981

0.003

4,210.1

1.4

193

2

193

2

null

4

P -1

-P 1

2

- C44 Mo36 N8 O146 -

1

0.5

Kazuo Eda; Yuichi Iriki

Chemistry Letters

null

0.71073

MoKα

0.1447

0.0913

null

0.2152

0.2381

null

1.044

null

has coordinates

Kazuo Eda; Yuichi Iriki Chemistry Letters ()

277,831

2022-09-14

14:31:32

#------------------------------------------------------------------------------ #$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/1/10/10/1101006.cif $ #-------------------------------------------------------------------...

1,101,007

19.617

0.003

7.5941

0.0013

9.3394

0.0016

90

null

97.54

0.003

90

null

1,379.3

0.4

273

2

273

2

null

4

P 1 21/c 1

-P 2ybc

14

n-undecylurea

- C12 H26 N2 O -

- C48 H104 N8 O4 -

4

1

Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi

Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study

Journal of Molecular Structure

2,005

734

1-3

23

33

10.1016/j.molstruc.2004.08.008

0.71073

MoKα

0.0838

0.06

null

0.164

0.1767

null

1.021

null

has coordinates

Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study Journal of Molecular Structure 734(1-3) (2005) 23-33

301,773

2025-08-18

12:42:42

#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:40:47 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301773 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/10/1101007.cif $ #-------------------------------------------------------------------...

1,101,008

42.43

0.01

7.5982

0.0018

9.295

0.002

90

null

95.624

0.004

90

null

2,982.3

1.2

293

2

293

2

null

4

C 1 2/c 1

-C 2yc

15

n-dodecylurea

- C13 H28 N2 O -

- C104 H224 N16 O8 -

8

1

Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi

Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study

Journal of Molecular Structure

2,005

734

1-3

23

33

10.1016/j.molstruc.2004.08.008

0.71073

MoKα

0.1497

0.0563

null

0.1178

0.1392

null

0.905

null

has coordinates

Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study Journal of Molecular Structure 734(1-3) (2005) 23-33

301,773

2025-08-18

12:42:42

#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:40:47 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301773 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/10/1101008.cif $ #-------------------------------------------------------------------...

1,101,009

21.1

0.009

7.364

0.003

9.2

0.004

90

null

95.085

0.008

90

null

1,423.8

1

293

2

293

2

null

4

P 1 21/c 1

-P 2ybc

14

n-dodecylurea

- C13 H28 N2 O -

- C52 H112 N8 O4 -

4

1

Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi

Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study

Journal of Molecular Structure

2,005

734

1-3

23

33

10.1016/j.molstruc.2004.08.008

0.71073

MoKα

0.1762

0.0793

null

0.1874

0.2223

null

0.845

null

has coordinates

Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study Journal of Molecular Structure 734(1-3) (2005) 23-33

301,773

2025-08-18

12:42:42

#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:40:47 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301773 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/10/1101009.cif $ #-------------------------------------------------------------------...

1,101,010

23.124

0.008

7.542

0.002

9.299

0.003

90

null

99.751

0.007

90

null

1,598.3

0.9

314

2

314

2

null

4

P 1 21/c 1

-P 2ybc

14

n-tridecylurea

- C14 H30 N2 O -

- C56 H120 N8 O4 -

4

1

Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi

Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study

Journal of Molecular Structure

2,005

734

1-3

23

33

10.1016/j.molstruc.2004.08.008

0.71073

MoKα

0.2381

0.069

null

0.1585

0.2057

null

0.687

null

has coordinates

Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study Journal of Molecular Structure 734(1-3) (2005) 23-33

301,773

2025-08-18

12:42:42

#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:40:47 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301773 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/10/1101010.cif $ #-------------------------------------------------------------------...

1,101,011

22.936

0.005

7.4127

0.0016

9.314

0.002

90

null

99.29

0.004

90

null

1,562.8

0.6

298

2

298

2

null

4

P 1 21/c 1

-P 2ybc

14

n-tridecylurea

- C14 H30 N2 O -

- C56 H120 N8 O4 -

4

1

Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi

Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study

Journal of Molecular Structure

2,005

734

1-3

23

33

10.1016/j.molstruc.2004.08.008

0.71073

MoKα

0.1381

0.0729

null

0.1601

0.1827

null

0.883

null

has coordinates

Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study Journal of Molecular Structure 734(1-3) (2005) 23-33

301,773

2025-08-18

12:42:42

#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:40:47 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301773 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/10/1101011.cif $ #-------------------------------------------------------------------...

1,101,012

21.986

0.01

7.405

0.003

9.313

0.004

90

null

93.909

0.008

90

null

1,512.7

1.1

200

2

200

2

null

4

P 1 21/c 1

-P 2ybc

14

n-tridecylurea

- C14 H30 N2 O -

- C56 H120 N8 O4 -

4

1

Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi

Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study

Journal of Molecular Structure

2,005

734

1-3

23

33

10.1016/j.molstruc.2004.08.008

0.71073

MoKα

0.1411

0.0801

null

0.2073

0.2288

null

0.937

null

has coordinates

Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study Journal of Molecular Structure 734(1-3) (2005) 23-33

301,773

2025-08-18

12:42:42

#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:40:47 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301773 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/10/1101012.cif $ #-------------------------------------------------------------------...

1,101,013

23.601

0.007

7.639

0.002

9.326

0.003

90

null

94.882

0.006

90

null

1,675.4

0.9

303

2

303

2

null

4

P 1 21/c 1

-P 2ybc

14

n-tetradecylurea

- C15 H32 N2 O -

- C60 H128 N8 O4 -

4

1

Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi

Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study

Journal of Molecular Structure

2,005

734

1-3

23

33

10.1016/j.molstruc.2004.08.008

0.71073

MoKα

0.1789

0.0583

null

0.1353

0.166

null

0.831

null

has coordinates

Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study Journal of Molecular Structure 734(1-3) (2005) 23-33

301,773

2025-08-18

12:42:42

#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:40:47 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301773 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/10/1101013.cif $ #-------------------------------------------------------------------...

1,101,014

23.257

0.006

7.4723

0.0019

9.269

0.002

90

null

90.332

0.005

90

null

1,610.8

0.7

153

2

153

2

null

4

P 1 21/c 1

-P 2ybc

14

n-tetradecylurea

- C15 H32 N2 O -

- C60 H128 N8 O4 -

4

1

Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi

Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study

Journal of Molecular Structure

2,005

734

1-3

23

33

10.1016/j.molstruc.2004.08.008

0.71073

MoKα

0.1301

0.0602

null

0.1349

0.1587

null

0.882

null

has coordinates

Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study Journal of Molecular Structure 734(1-3) (2005) 23-33

301,773

2025-08-18

12:42:42

#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:40:47 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301773 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/10/1101014.cif $ #-------------------------------------------------------------------...

1,101,015

6.844

0.002

6.933

0.002

9.339

0.002

76.617

0.003

84.188

0.007

74.51

0.008

415.1

0.2

293

2

293

2

null

4

P -1

-P 1

2

cobalt molybdate hydrate

- Co4 H6 Mo4 O19 -

- Co4 Mo4 O19 -

1

0.5

Eda, Kazuo; Uno, Yuichi; Nagai, Noriko; Sotani, Noriyuki; Whittingham, M. Stanley

Crystal structure of cobalt molybdate hydrate CoMoO~4~·nH2O

Journal of Solid State Chemistry

2,005

178

9

2791

2797

10.1016/j.jssc.2005.06.014

0.71073

MoKα

0.0888

0.0683

null

0.1634

0.1707

null

0.984

null

has coordinates

Eda, Kazuo; Uno, Yuichi; Nagai, Noriko; Sotani, Noriyuki; Whittingham, M. Stanley Crystal structure of cobalt molybdate hydrate CoMoO~4~·nH2O Journal of Solid State Chemistry 178(9) (2005) 2791-2797

277,831

2022-09-14

14:31:32

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1,101,016

5.97469

0.00017

6.11883

0.00017

8.53249

0.00024

90

null

90

null

90

null

311.932

null

3

P b n m

-P 2c 2ab

62

- O Pr0.33 Sr0.32 -

- O Pr0.333333 Sr0.321 -

- O12 Pr4 Sr3.852 -

12

1.5

Thundathil, Mary A.; Jones, Camille Y.; Snyder, G. Jeffrey; Haile, Sossina M.

Nonstoichiometry, Structure, and Electrical Properties of "SrPrO~3~"

Chemistry of Materials

2,005

17

20

5146

5154

10.1021/cm050895k

powder diffraction

neutron

1.5398

null

0.04961

null

1.17

null

4,000,617

null

has coordinates

Thundathil, Mary A.; Jones, Camille Y.; Snyder, G. Jeffrey; Haile, Sossina M. Nonstoichiometry, Structure, and Electrical Properties of "SrPrO~3~" Chemistry of Materials 17(20) (2005) 5146-5154

178,233

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-17 13:26:19 +0200 (Thu, 17 Mar 2016) $ #$Revision: 178233 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/10/1101016.cif $ #-------------------------------------------------------------------...

1,101,017

6.3067

0.0004

7.782

0.0005

12.7658

0.0008

100.043

0.001

91.562

0.001

107.339

0.001

586.8

0.06

298

2

298

2

null

7

P -1

-P 1

2

- C8 H32 Cl2 Co2 N8 O6 S4 -

1

0.5

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

Journal of Coordination Chemistry

2,005

58

1099

1104

10.1080/00958970500138355

0.71073

MoKα

0.0203

0.0199

null

0.0537

0.0539

null

1.082

null

has coordinates

Raj Pal Sharma; Rajni Sharma; Ritu Bala; Miguel Quirós; Juan M. Salas Journal of Coordination Chemistry 58 (2005) 1099-1104

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/1/10/10/1101017.cif $ #-------------------------------------------------------------------...

1,101,018

6.027318

0.000029

6.027318

0.000029

4.82861

0.00013

90

null

90

null

120

null

151.92

null

annealed at 330 C

3

R -3 m :H

-R 3 2"

166

- C Cu N -

- C3 Cu3 N3 -

null

Reckeweg, Olaf; Lind, Cora; Simon, Arndt; Salvo, J.

Synthesis, Thermal and X-Ray Investigations of the High-Temperature Phase of Copper(I) Cyanide

Zeitschrift für Naturforschung B

2,003

58

1

155

158

powder diffraction

x-ray

1.54059

Kα~1~

null

1,519.54

null

1,100,000

null

has coordinates

Reckeweg, Olaf; Lind, Cora; Simon, Arndt; Salvo, J. Synthesis, Thermal and X-Ray Investigations of the High-Temperature Phase of Copper(I) Cyanide Zeitschrift für Naturforschung B 58(1) (2003) 155-158

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/1/10/10/1101018.cif $ #-------------------------------------------------------------------...

1,101,019

3.9196

null

3.9196

null

3.9196

null

90

null

90

null

90

null

60.22

null

1

Fm-3m

null

- Pt -

- Pt4 -

null

powder diffraction

null

has coordinates

()

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/1/10/10/1101019.cif $ #-------------------------------------------------------------------...

1,101,020

2.46

null

2.46

null

33.45

null

90

null

90

null

120

null

175.3

null

4

R -3 m :H

-R 3 2"

166

Carbon

Graphite nitrate

- C H N O3 -

- C -

- C12 -

12

0.333333

Nixon, D. E.; Parry, G. S.; Ubbelohde, A. R.

Order-disorder transformations in graphite nitrates

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

1,966

291

1426

324

339

10.1098/rspa.1966.0098

null

1,000,065

null

has coordinates

Nixon, D. E.; Parry, G. S.; Ubbelohde, A. R. Order-disorder transformations in graphite nitrates Proceedings of the Royal Society of London, Series A: Mathematical and Physical Sciences 291(1426) (1966) 324-339

297,742

2025-02-14

14:18:17

#------------------------------------------------------------------------------ #$Date: 2025-02-14 16:18:12 +0200 (Fri, 14 Feb 2025) $ #$Revision: 297742 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/10/1101020.cif $ #-------------------------------------------------------------------...

1,101,021

3.635

null

3.635

null

3.635

null

39.49

null

39.49

null

39.49

null

17.5

null

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

1,200,018

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

282,478

2023-04-06

12:32:03

#------------------------------------------------------------------------------ #$Date: 2023-04-06 15:31:51 +0300 (Thu, 06 Apr 2023) $ #$Revision: 282478 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/10/1101021.cif $ #-------------------------------------------------------------------...

1,101,022

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

1,992

46

10086

10097

10.1103/PhysRevB.46.10086

null

1,200,019

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 46 (1992) 10086-10097

211,498

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2018-10-17 14:27:16 +0300 (Wed, 17 Oct 2018) $ #$Revision: 211498 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/10/1101022.cif $ #-------------------------------------------------------------------...

1,101,023

4.157

0.0001

4.157

0.0001

4.157

0.0001

90

null

90

null

90

null

71.8

null

2

P m -3 m

-P 4 2 3

221

Lanthanum boride (1/6)

- B6 La -

1

0.020833

Eliseev, A A; Efremmov, V A; Kuz'micheva, G M; Konovalova, E S; Lazorenko, V I; Paderno, Y B; Khlyustova, S Y

X-ray structural investigation of single crystals of lanthanum, cerium, and samarium hexaborides

Kristallografiya

1,986

31

803

805

null

1,000,057

null

has coordinates

Eliseev, A A; Efremmov, V A; Kuz'micheva, G M; Konovalova, E S; Lazorenko, V I; Paderno, Y B; Khlyustova, S Y X-ray structural investigation of single crystals of lanthanum, cerium, and samarium hexaborides Kristallografiya 31 (1986) 803-805

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/1/10/10/1101023.cif $ #-------------------------------------------------------------------...

7,015,118

14.799

0.003

11.888

0.002

18.13

0.003

90

null

111.842

0.003

90

null

2,960.6

0.9

298

2

298

2

null

7

P 1 21/c 1

-P 2ybc

14

- C32 H64 Cl2 N8 O19 W6 Zn2 -

- C64 H128 Cl4 N16 O38 W12 Zn4 -

2

0.5

Sarma, Monima; Chatterjee, Tanmay; Das, Samar K.

Bringing an important macrocycle into a polyoxometalate matrix: synthesis, crystal structure, spectroscopy and electrochemistry of [Co(III)(transdiene)(Cl)2]2[Mo6O19], [Ni(II)(transdiene)][W6O19]·DMSO·DCM and [Zn(II)(transdsiene)(Cl)]2[W6O19].

Dalton transactions (Cambridge, England : 2003)

2,011

40

12

2954

2966

10.1039/c0dt01208d

0.71073

MoKα

0.0417

0.0327

null

0.0653

0.0686

null

1.07

null

has coordinates

Sarma, Monima; Chatterjee, Tanmay; Das, Samar K. Bringing an important macrocycle into a polyoxometalate matrix: synthesis, crystal structure, spectroscopy and electrochemistry of [Co(III)(transdiene)(Cl)2]2[Mo6O19], [Ni(II)(transdiene)][W6O19]·DMSO·DCM and [Zn(II)(transdsiene)(Cl)]2[W6O19]. Dalton transactions (Cambri...

179,855

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-25 13:38:46 +0200 (Fri, 25 Mar 2016) $ #$Revision: 179855 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/51/7015118.cif $ #-------------------------------------------------------------------...

1,101,024

9.172

0.002

9.172

0.002

33.51

0.01

90

null

90

null

120

null

2,441.4

null

the Emile Baudot bank, western Mediterranean

6

R -3 m :H

-R 3 2"

166

Magnesium aluminium sodium hydroxide sulfate carbonate hydrate (5.6/3.4/.6/18/1.3/.7/12)

Motukoreaite

- Al3.4 H42 Mg5.6 Na0.6 O37.3 S1.3 -

- C0.672 H79.92 Al3 Mg6 Na0.66 O33.24 S1.32 -

- C2.016 H239.76 Al9 Mg18 Na1.98 O99.72 S3.96 -

3

0.083333

Rius, J.; Plana, F.

Contribution to the superstructure resolution of the double layer mineral motukoreaite

Neues Jahrbuch fuer Mineralogie. Monatshefte

1,986

263

272

null

1,100,006

null

has coordinates

Rius, J.; Plana, F. Contribution to the superstructure resolution of the double layer mineral motukoreaite Neues Jahrbuch fuer Mineralogie. Monatshefte 1986 (1986) 263-272

205,566

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2018-01-24 18:17:58 +0200 (Wed, 24 Jan 2018) $ #$Revision: 205566 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/10/1101024.cif $ #-------------------------------------------------------------------...

1,101,025

5.18

0.004

8.993

0.006

20.06898

0.013

90

null

95.69

0.06

90

null

930.3

null

6

C 1 2/c 1

-C 2yc

15

Potassium aluminium phyllo-alumosilicate hydroxide fluoride *

Muscovite 2M1

- Al2.873 F0.256 H1.744 K0.894 O11.744 Si2.829 -

- Al2.873 F0.256 H2.616 K0.894 O11.744 Si2.829 -

- Al11.492 F1.024 H10.464 K3.576 O46.976 Si11.316 -

4

0.5

Liang, J-J; Hawthorne, F C

Rietveld refinement of micaceous materials: muscovite-2M1, a comparison with single-crystal structure refinement

Canadian Mineralogist

1,996

34

115

122

null

0.041

null

1,100,007

null

has coordinates

Liang, J-J; Hawthorne, F C Rietveld refinement of micaceous materials: muscovite-2M1, a comparison with single-crystal structure refinement Canadian Mineralogist 34 (1996) 115-122

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/1/10/10/1101025.cif $ #-------------------------------------------------------------------...

1,101,026

5.1765

0.0004

8.9872

0.0006

20.07199

0.001

90

null

95.756

0.006

90

null

929.1

null

6

C 1 2/c 1

-C 2yc

15

Potassium aluminium phyllo-alumosilicate hydroxide fluoride *

Muscovite 2M1

- Al2.905 F0.256 H1.744 K0.86 O11.744 Si2.895 -

- Al2.905 F0.256 H2.616 K0.86 O11.744 Si2.895 -

- Al11.62 F1.024 H10.464 K3.44 O46.976 Si11.58 -

4

0.5

Liang, J-J; Hawthorne, F C

Rietveld refinement of micaceous materials: muscovite-2M1, a comparison with single-crystal structure refinement

Canadian Mineralogist

1,996

34

115

122

null

0.023

null

1,100,008

null

has coordinates

Liang, J-J; Hawthorne, F C Rietveld refinement of micaceous materials: muscovite-2M1, a comparison with single-crystal structure refinement Canadian Mineralogist 34 (1996) 115-122

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/1/10/10/1101026.cif $ #-------------------------------------------------------------------...

1,101,027

5.1805

0.0007

8.994

0.001

20.086

0.002

90

null

95.74

0.007

90

null

931.2

null

6

C 1 2/c 1

-C 2yc

15

Potassium aluminium phyllo-alumosilicate hydroxide fluoride *

Muscovite 2M1

- Al2.91 F0.256 H1.744 K0.94 O11.744 Si2.85 -

- Al2.91 F0.256 H2.616 K0.94 O11.744 Si2.85 -

- Al11.64 F1.024 H10.464 K3.76 O46.976 Si11.4 -

4

0.5

Liang, J-J; Hawthorne, F C

Rietveld refinement of micaceous materials: muscovite-2M1, a comparison with single-crystal structure refinement

Canadian Mineralogist

1,996

34

115

122

null

0.025

null

1,100,009

null

has coordinates

Liang, J-J; Hawthorne, F C Rietveld refinement of micaceous materials: muscovite-2M1, a comparison with single-crystal structure refinement Canadian Mineralogist 34 (1996) 115-122

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/1/10/10/1101027.cif $ #-------------------------------------------------------------------...

1,101,028

5.194

null

8.996

0.006

20.09599

0.002

90

null

95.18

null

90

null

935.2

null

6

C 1 2/c 1

-C 2yc

15

Potassium alumosilicate hydrate *

Muscovite 2M1

- Al2.88 Fe0.12 H2 K O12 Si3 -

- Al2.88 Fe0.12 H3 K O12 Si3 -

- Al11.52 Fe0.48 H12 K4 O48 Si12 -

4

0.5

Birle, J D; Tettenhorst, R

Refined Muscovite structure

Mineralogical Magazine and Journal of the Mineralogical Society

1,968

36

883

886

10.1180/minmag.1968.036.282.24

null

0.12

null

1,100,010

null

has coordinates

Birle, J D; Tettenhorst, R Refined Muscovite structure Mineralogical Magazine and Journal of the Mineralogical Society 36 (1968) 883-886

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/1/10/10/1101028.cif $ #-------------------------------------------------------------------...

1,101,029

5.1998

0.0021

9.0266

0.0019

20.10579

0.0044

90

null

95.782

0.039

90

null

938.9

null

5

C 1 2/c 1

-C 2yc

15

Potassium aluminium silicate hydrate *

Muscovite 2M1

- Al3 H2 K O12 Si3 -

- Al3 H3 K O12 Si3 -

- Al12 H12 K4 O48 Si12 -

4

0.5

Richardson, S M; Richardson, J W jr.

Crystal structure of a pink Muskovite from Archer's post, Kenya: implications for reverse pleochroism in dioctahedral micas

American Mineralogist

1,982

67

69

75

null

0.099

null

1,100,011

null

has coordinates

Richardson, S M; Richardson, J W jr. Crystal structure of a pink Muskovite from Archer's post, Kenya: implications for reverse pleochroism in dioctahedral micas American Mineralogist 67 (1982) 69-75

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/1/10/10/1101029.cif $ #-------------------------------------------------------------------...

7,015,117

18.1285

0.0013

16.4933

0.0012

12.8503

0.0009

90

null

96.554

0.001

90

null

3,817.1

0.5

298

2

298

2

null

8

P 1 21/c 1

-P 2ybc

14

- C19 H38 Cl2 N4 Ni O20 S W6 -

- C76 H152 Cl8 N16 Ni4 O80 S4 W24 -

4

1

Sarma, Monima; Chatterjee, Tanmay; Das, Samar K.

Bringing an important macrocycle into a polyoxometalate matrix: synthesis, crystal structure, spectroscopy and electrochemistry of [Co(III)(transdiene)(Cl)2]2[Mo6O19], [Ni(II)(transdiene)][W6O19]·DMSO·DCM and [Zn(II)(transdsiene)(Cl)]2[W6O19].

Dalton transactions (Cambridge, England : 2003)

2,011

40

12

2954

2966

10.1039/c0dt01208d

0.71073

MoKα

0.038

0.0337

null

0.0607

0.0621

null

1.184

null

has coordinates

Sarma, Monima; Chatterjee, Tanmay; Das, Samar K. Bringing an important macrocycle into a polyoxometalate matrix: synthesis, crystal structure, spectroscopy and electrochemistry of [Co(III)(transdiene)(Cl)2]2[Mo6O19], [Ni(II)(transdiene)][W6O19]·DMSO·DCM and [Zn(II)(transdsiene)(Cl)]2[W6O19]. Dalton transactions (Cambri...

179,855

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-25 13:38:46 +0200 (Fri, 25 Mar 2016) $ #$Revision: 179855 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/51/7015117.cif $ #-------------------------------------------------------------------...

1,101,030

5.189

0.01

8.996

0.006

20.096

0.02

90

null

95.18

0.08

90

null

934.3

null

5

C 1 2/c 1

-C 2yc

15

Potassium alumosilicate hydrate *

Muscovite 2M1

- Al3 H2 K O12 Si3 -

- Al3 H3 K O12 Si3 -

- Al12 H12 K4 O48 Si12 -

4

0.5

Radoslovich, E. W.

The Structure of Muscovite, KAl~2~(Si~3~Al)O~10~(OH)~2~

Acta Crystallographica

1,960

13

11

919

932

10.1107/s0365110x60002259

null

0.125

null

has coordinates

Radoslovich, E. W. The Structure of Muscovite, KAl~2~(Si~3~Al)O~10~(OH)~2~ Acta Crystallographica 13(11) (1960) 919-932

200,780

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-09-12 13:10:21 +0300 (Tue, 12 Sep 2017) $ #$Revision: 200780 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/10/1101030.cif $ #-------------------------------------------------------------------...

1,101,031

5.1963

0.0004

5.1963

0.0004

29.97049

0.0016

90

null

90

null

120

null

700.84

0.013

null

5

P 31 1 2

P 31 2 (0 0 4)

151

Potassium alumosilicate hydroxide *

Muscovite 3T

- Al3 H2 K O12 Si3 -

- Al3 H3 K O12 Si3 -

- Al9 H9 K3 O36 Si9 -

3

0.5

Güven, N.; Burnham, C. W.

The Crystal Structure of 3T Muscovite

Carnegie Institution of Washington: Yearbook

1,966

65

290

293

null

0.073

null

1,100,014

null

has coordinates

Güven, N.; Burnham, C. W. The Crystal Structure of 3T Muscovite Carnegie Institution of Washington: Yearbook 65 (1966) 290-293

282,478

2023-04-06

12:32:03

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1,101,032

5.1963

0.0004

5.1963

0.0004

29.97049

0.0016

90

null

90

null

120

null

700.8

null

In granodiorite near Sunrise Copper Prospect, Sultan Basin, Snohomish County, Washington, USA

6

P 31 1 2

P 31 2 (0 0 4)

151

Potassium aluminium silicate hydroxide *

Muscovite 3T

- Al2.91 Fe0.09 H2 K O12 Si3 -

- Al2.91 Fe0.09 H3 K O12 Si3 -

- Al8.73 Fe0.27 H9 K3 O36 Si9 -

3

0.5

Güven, N.; Burnham, C. W.

The Crystal Structure of 3T Muscovite

Zeitschrift für Kristallographie

1,967

125

163

183

10.1524/zkri.1967.125.125.163

null

0.024

null

1,100,015

null

has coordinates

Güven, N.; Burnham, C. W. The Crystal Structure of 3T Muscovite Zeitschrift für Kristallographie 125 (1967) 163-183

176,429

2020-10-21

18:00:00

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1,101,033

5.21379

0.00002

5.21379

0.00002

29.73819

0.0002

90

null

90

null

120

null

700.1

null

6

P 31 1 2

P 31 2 (0 0 4)

151

Potassium magnesium aluminium silicon oxide hydroxide *

Phengite 3T

- Al1.788 H2 K Mg0.64 O12 Si3.572 -

- Al1.788 H4 K Mg0.64 O12 Si3.572 -

- Al5.364 H12 K3 Mg1.92 O36 Si10.716 -

3

0.5

Pavese, A; Ferraris, G; Prencipe, M; Ibberson, R

Cation site ordering in phengite 3T from the Dora-Maira massif (western Alps): a variable-temperature neutron powder diffraction study

European Journal of Mineralogy

1,997

9

1183

1190

null

0.06

null

1,100,016

null

has coordinates

Pavese, A; Ferraris, G; Prencipe, M; Ibberson, R Cation site ordering in phengite 3T from the Dora-Maira massif (western Alps): a variable-temperature neutron powder diffraction study European Journal of Mineralogy 9 (1997) 1183-1190

287,519

2023-11-10

19:29:20

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1,101,034

5.23169

0.00002

5.23169

0.00002

30.1227

0.0002

90

null

90

null

120

null

714

null

6

P 31 1 2

P 31 2 (0 0 4)

151

Potassium magnesium aluminium silicon oxide hydroxide *

Phengite 3T

- Al1.848 H2 K Mg0.58 O12 Si3.572 -

- Al1.848 H4 K Mg0.58 O11 Si3.572 -

- Al5.544 H12 K3 Mg1.74 O33 Si10.716 -

3

0.5

Pavese, A; Ferraris, G; Prencipe, M; Ibberson, R

Cation site ordering in phengite 3T from the Dora-Maira massif (western Alps): a variable-temperature neutron powder diffraction study

European Journal of Mineralogy

1,997

9

1183

1190

null

0.05

null

1,100,017

null

has coordinates

Pavese, A; Ferraris, G; Prencipe, M; Ibberson, R Cation site ordering in phengite 3T from the Dora-Maira massif (western Alps): a variable-temperature neutron powder diffraction study European Journal of Mineralogy 9 (1997) 1183-1190

287,519

2023-11-10

19:29:20

#------------------------------------------------------------------------------ #$Date: 2023-11-10 21:21:08 +0200 (Fri, 10 Nov 2023) $ #$Revision: 287519 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/10/1101034.cif $ #-------------------------------------------------------------------...

1,101,035

5

0.01

5.72

0.01

11.12

0.02

90

null

90

null

90

null

318

null

2

C m c 21

C 2c -2

36

Tin (II) oxide - red modification

- O Sn -

- O8 Sn8 -

8

1

Donaldson, J. D.; Moser, W.; Simpson, W. B.

178. Red tin(II) oxide

Journal of the Chemical Society

1,961

null

839

841

10.1039/jr9610000839

null

has coordinates

Donaldson, J. D.; Moser, W.; Simpson, W. B. 178. Red tin(II) oxide Journal of the Chemical Society (1961) 839-841

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/1/10/10/1101035.cif $ #-------------------------------------------------------------------...

1,101,036

20.871

0.002

9.496

0.001

5.6

0.001

90

null

90

null

90

null

1,109.9

null

4

P n a 21

P 2c -2n

33

CALCIUM STRONTIUM SILICATE

- Ca O4 Si Sr -

- Ca12 O48 Si12 Sr12 -

12

3

Il'inets, A. M.; Nevskii, N. N.; Ilyukhin, V. V.; Bikbau, M. Y.; Belov, N. V.

The crystal structure of α'-modification of dicalcium silicate Ca(Ca, Sr)SiO~4~

Doklady Akademii Nauk SSSR

1,982

267

641

644

null

0.07

null

1,100,022

null

has coordinates

Il'inets, A. M.; Nevskii, N. N.; Ilyukhin, V. V.; Bikbau, M. Y.; Belov, N. V. The crystal structure of α'-modification of dicalcium silicate Ca(Ca, Sr)SiO~4~ Doklady Akademii Nauk SSSR 267 (1982) 641-644

282,478

2023-04-06

12:32:03

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1,101,037

5.647

0.001

7.037

0.001

9.644

0.002

90

null

90

null

90

null

383.2

null

4

P m n b

-P 2bc 2a

62

Calcium strontium silicate (1.5/.5/1)

- Ca1.5 O4 Si Sr0.5 -

- Ca6 O16 Si4 Sr2 -

4

0.5

Catti, M.; Gazzoni, G.; Ivaldi, G.

Order-disorder in the α'-(Ca,Sr)~2~SiO~4~ solid solution: a structural and statistical-thermodynamic analysis

Acta Crystallographica, Section B: Structural Science

1,984

40

6

537

544

10.1107/s0108768184002652

null

0.049

null

1,100,023

null

has coordinates

Catti, M.; Gazzoni, G.; Ivaldi, G. Order-disorder in the α'-(Ca,Sr)~2~SiO~4~ solid solution: a structural and statistical-thermodynamic analysis Acta Crystallographica, Section B: Structural Science 40(6) (1984) 537-544

199,948

2020-10-21

18:00:00

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1,101,038

5.647

0.001

7.037

0.001

9.644

0.002

90

null

90

null

90

null

383.2

null

4

P m n b

-P 2bc 2a

62

Calcium strontium silicate (1.8/.2/1)

- Ca1.8 O4 Si Sr0.2 -

- Ca7.2 O16 Si4 Sr0.8 -

4

0.5

Catti, M.; Gazzoni, G.; Ivaldi, G.

Order-disorder in the α'-(Ca,Sr)~2~SiO~4~ solid solution: a structural and statistical-thermodynamic analysis

Acta Crystallographica, Section B: Structural Science

1,984

40

6

537

544

10.1107/s0108768184002652

null

0.03

null

1,100,024

null

has coordinates

Catti, M.; Gazzoni, G.; Ivaldi, G. Order-disorder in the α'-(Ca,Sr)~2~SiO~4~ solid solution: a structural and statistical-thermodynamic analysis Acta Crystallographica, Section B: Structural Science 40(6) (1984) 537-544

199,948

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-08-25 16:19:04 +0300 (Fri, 25 Aug 2017) $ #$Revision: 199948 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/10/1101038.cif $ #-------------------------------------------------------------------...

7,015,116

10.7302

0.0008

11.3642

0.0008

11.7568

0.0009

107.918

0.001

101.754

0.001

95.45

0.001

1,316.23

0.17

298

2

298

2

null

7

P -1

-P 1

2

- C32 H64 Cl4 Co2 Mo6 N8 O19 -

1

0.5

Sarma, Monima; Chatterjee, Tanmay; Das, Samar K.

Bringing an important macrocycle into a polyoxometalate matrix: synthesis, crystal structure, spectroscopy and electrochemistry of [Co(III)(transdiene)(Cl)2]2[Mo6O19], [Ni(II)(transdiene)][W6O19]·DMSO·DCM and [Zn(II)(transdsiene)(Cl)]2[W6O19].

Dalton transactions (Cambridge, England : 2003)

2,011

40

12

2954

2966

10.1039/c0dt01208d

0.71073

MoKα

0.04

0.0326

null

0.0763

0.0795

null

1.045

null

has coordinates

Sarma, Monima; Chatterjee, Tanmay; Das, Samar K. Bringing an important macrocycle into a polyoxometalate matrix: synthesis, crystal structure, spectroscopy and electrochemistry of [Co(III)(transdiene)(Cl)2]2[Mo6O19], [Ni(II)(transdiene)][W6O19]·DMSO·DCM and [Zn(II)(transdsiene)(Cl)]2[W6O19]. Dalton transactions (Cambri...

179,855

2020-10-21

18:00:00

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1,101,039

3.55

null

3.55

null

6.55

null

90

null

90

null

90

null

82.5

null

2

I 4/m m m

-I 4 2

139

Strontium peroxide

- O2 Sr -

- O4 Sr2 -

2

0.0625

Bernal, J. D.; Djatlowa, E.; Kasarnowsky, I.; Reichstein, S.; Ward, A. G.

The Structure of Strontium and Barium Peroxides, Sr O~2~ and Ba O~2~

Zeitschrift für Kristallographie

1,935

92

344

354

null

1,010,114

null

has coordinates

Bernal, J. D.; Djatlowa, E.; Kasarnowsky, I.; Reichstein, S.; Ward, A. G. The Structure of Strontium and Barium Peroxides, Sr O~2~ and Ba O~2~ Zeitschrift für Kristallographie 92 (1935) 344-354

287,519

2023-11-10

19:29:20

#------------------------------------------------------------------------------ #$Date: 2023-11-10 21:21:08 +0200 (Fri, 10 Nov 2023) $ #$Revision: 287519 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/10/1101039.cif $ #-------------------------------------------------------------------...

1,101,040

5.1396

null

5.1396

null

5.1396

null

90

null

90

null

90

null

135.8

null

2

F m -3 m

-F 4 2 3

225

Strontium oxide

- O Sr -

- O4 Sr4 -

4

0.020833

Primak, W; Kaufman, H; Ward, R

X-Ray Diffraction Studies of Systems Involved in the Preparation of Alkaline Earth Sulfide and Selenide Phosphors

Journal of the American Chemical Society

1,948

70

2043

2046

10.1021/ja01186a018

null

1,100,027

null

has coordinates

Primak, W; Kaufman, H; Ward, R X-Ray Diffraction Studies of Systems Involved in the Preparation of Alkaline Earth Sulfide and Selenide Phosphors Journal of the American Chemical Society 70 (1948) 2043-2046

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/1/10/10/1101040.cif $ #-------------------------------------------------------------------...

1,101,041

4.14

0.002

4.14

0.002

8.805

0.005

90

null

90

null

90

null

150.9

null

2

I 41/a m d :2

-I 4bd 2

141

Titanium nitride (2/1) - $-alpha

- N Ti2 -

- N4 Ti8 -

4

0.125

Lobier, G.; Marcon, J. P.

Etude et structure d'une nouvelle phase du sous-nitrure de titane Ti~2~N

Comptes rendus hebdomadaires des séances de l'Académie des sciences. Série C, Sciences chimiques

1,969

268

1132

1135

null

0.049

null

1,100,029

null

has coordinates

Lobier, G.; Marcon, J. P. Etude et structure d'une nouvelle phase du sous-nitrure de titane Ti~2~N Comptes rendus hebdomadaires des séances de l'Académie des sciences. Série C, Sciences chimiques 268 (1969) 1132-1135

287,519

2023-11-10

19:29:20

#------------------------------------------------------------------------------ #$Date: 2023-11-10 21:21:08 +0200 (Fri, 10 Nov 2023) $ #$Revision: 287519 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/10/1101041.cif $ #-------------------------------------------------------------------...

1,101,042

4.1493

0.0002

4.1493

null

8.7858

0.0005

90

null

90

null

90

null

151.3

null

2

I 41/a m d :2

-I 4bd 2

141

Titanium nitride - δ'

- N Ti2 -

- N4 Ti8 -

4

0.125

Christensen, A. N.; Alamo, A.; Landesman, J. P.

Structure of vacancy-ordered titanium heminitride δ'-Ti~2~N by powder neutron diffraction

Acta Crystallographica, Section C: Crystal Structure Communications

1,985

41

7

1009

1011

10.1107/s0108270185006370

null

0.061

null

1,100,030

null

has coordinates

Christensen, A. N.; Alamo, A.; Landesman, J. P. Structure of vacancy-ordered titanium heminitride δ'-Ti~2~N by powder neutron diffraction Acta Crystallographica, Section C: Crystal Structure Communications 41(7) (1985) 1009-1011

200,073

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-09-01 19:48:38 +0300 (Fri, 01 Sep 2017) $ #$Revision: 200073 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/10/1101042.cif $ #-------------------------------------------------------------------...

1,101,043

4.9452

null

4.9452

null

3.0342

null

90

null

90

null

90

null

74.2

null

2

P 42/m n m

-P 4n 2n

136

Titanium nitride (2/1)

- N Ti2 -

- N2 Ti4 -

2

0.125

Holmberg, B

Structural Studies on the Titanium-Nitrogen System

Acta Chemica Scandinavica

1,962

16

1255

1261

null

0.094

null

1,100,031

null

has coordinates

Holmberg, B Structural Studies on the Titanium-Nitrogen System Acta Chemica Scandinavica 16 (1962) 1255-1261

287,519

2023-11-10

19:29:20

#------------------------------------------------------------------------------ #$Date: 2023-11-10 21:21:08 +0200 (Fri, 10 Nov 2023) $ #$Revision: 287519 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/10/1101043.cif $ #-------------------------------------------------------------------...

1,101,044

2.9809

0.0004

2.9809

0.0004

21.6642

0.0085

90

null

90

null

120

null

170.5

null

2

R -3 m :H

-R 3 2"

166

Titanium nitride (3/1.29) - η

- N1.29 Ti3 -

- N3.87 Ti9 -

3

0.083333

Lengauer, Walter

The crystal structure of η-Ti~3~N~2-x~: An additonal new phase in the Ti-N system

Journal of the Less-Common Metals

1,986

125

127

134

10.1016/0022-5088(86)90087-1

null

0.117

null

1,100,032

null

has coordinates

Lengauer, Walter The crystal structure of η-Ti~3~N~2-x~: An additonal new phase in the Ti-N system Journal of the Less-Common Metals 125 (1986) 127-134

200,137

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-09-03 02:25:32 +0300 (Sun, 03 Sep 2017) $ #$Revision: 200137 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/10/1101044.cif $ #-------------------------------------------------------------------...

7,015,115

37.1

0.01

11.357

0.006

16.695

0.002

90

null

116.36

0.02

90

null

6,303

4

200

null

200

null

5

C 1 2/c 1

-C 2yc

15

- C32 H31 Br2 N9 Ru -

- C256 H248 Br16 N72 Ru8 -

8

1

Dinda, Joydev; Liatard, Sébastien; Chauvin, Jérôme; Jouvenot, Damien; Loiseau, Frédérique

Electronic and geometrical manipulation of the excited state of bis-terdentate homo- and heteroleptic ruthenium complexes.

Dalton transactions (Cambridge, England : 2003)

2,011

40

14

3683

3688

10.1039/c0dt01197e

0.71073

MoKα

0.0372

null

0.0468

null

0.0468

null

1.505

null

1.505

null

has coordinates

Dinda, Joydev; Liatard, Sébastien; Chauvin, Jérôme; Jouvenot, Damien; Loiseau, Frédérique Electronic and geometrical manipulation of the excited state of bis-terdentate homo- and heteroleptic ruthenium complexes. Dalton transactions (Cambridge, England : 2003) 40(14) (2011) 3683-3688

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/7/01/51/7015115.cif $ #-------------------------------------------------------------------...

1,101,045

4.244

null

4.244

null

4.244

null

90

null

90

null

90

null

76.4

null

2

F m -3 m

-F 4 2 3

225

Titanium(III) nitride

Osbornite

- N Ti -

- N4 Ti4 -

4

0.020833

Ehrlich, P; Juza, R

Review of German Science, 1939-1946, Inorganic Chemistry.

Fiat Review of German Science

1,948

2

64

null

has coordinates

Ehrlich, P; Juza, R Review of German Science, 1939-1946, Inorganic Chemistry. Fiat Review of German Science 2 (1948) 64-64

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/1/10/10/1101045.cif $ #-------------------------------------------------------------------...

1,101,046

4.239

0.001

4.239

0.001

4.239

0.001

90

null

90

null

90

null

76.2

null

2

F m -3 m

-F 4 2 3

225

Titanium nitride (1/0.9)

Osbornite

- N0.9 Ti -

- N3.6 Ti4 -

4

0.020833

Christensen, A N

The temperature factor parameters of some transition metal carbides and nitrides by single crystal X-ray and neutron diffraction

Acta Physicochimica (USSR)

1,978

32

89

90

null

0.036

null

1,100,037

null

has coordinates

Christensen, A N The temperature factor parameters of some transition metal carbides and nitrides by single crystal X-ray and neutron diffraction Acta Physicochimica (USSR) 32 (1978) 89-90

287,519

2023-11-10

19:29:20

#------------------------------------------------------------------------------ #$Date: 2023-11-10 21:21:08 +0200 (Fri, 10 Nov 2023) $ #$Revision: 287519 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/10/1101046.cif $ #-------------------------------------------------------------------...

1,101,047

2.9795

null

2.9795

null

28.96492

null

90

null

90

null

120

null

227.8

null

2

R -3 m :H

-R 3 2"

166

Titanium nitride (4/2.33) - ζ

Osbornite

- N2.333 Ti4 -

- N2.332 Ti4 -

- N6.996 Ti12 -

3

0.083333

Lengauer, W.; Ettmayer, P.

The crystal structure of a new phase in the titanium-nitrogen system

Journal of the Less-Common Metals

1,986

120

153

159

10.1016/0022-5088(86)90637-5

null

0.092

null

has coordinates

Lengauer, W.; Ettmayer, P. The crystal structure of a new phase in the titanium-nitrogen system Journal of the Less-Common Metals 120 (1986) 153-159

180,595

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-30 05:16:04 +0300 (Wed, 30 Mar 2016) $ #$Revision: 180595 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/10/1101047.cif $ #-------------------------------------------------------------------...

1,101,048

4.198

0.002

4.198

0.002

8.591

0.005

90

null

90

null

90

null

151.4

null

2

I 41/a m d :1

I 4bw 2bw -1bw

141

Titanium nitride (1/0.61) - $-alpha

- N0.61 Ti -

- N4.88 Ti8 -

8

0.25

Nagakura, S; Kusunoki, T

Structure of Ti Nx studied by electron diffraction and microscopy

Journal of Applied Crystallography

1,977

10

52

56

10.1107/S0021889877012795

null

1,100,041

null

has coordinates

Nagakura, S; Kusunoki, T Structure of Ti Nx studied by electron diffraction and microscopy Journal of Applied Crystallography 10 (1977) 52-56

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/1/10/10/1101048.cif $ #-------------------------------------------------------------------...

1,101,049

5.855

0.003

9.34

0.005

4.142

0.002

90

null

90

null

107.53

0.05

216

null

2

A 1 1 2/m

-A 2

12

Titanium oxide (1/1)

- O Ti -

- O10 Ti10 -

10

1.25

Watanabé, D.; Castles, J. R.; Jostsons, A.; Malin, A. S.

The ordered structure of TiO

Acta Crystallographica

1,967

23

2

307

313

10.1107/s0365110x67002634

null

1,100,042

null

has coordinates

Watanabé, D.; Castles, J. R.; Jostsons, A.; Malin, A. S. The ordered structure of TiO Acta Crystallographica 23(2) (1967) 307-313

287,519

2023-11-10

19:29:20

#------------------------------------------------------------------------------ #$Date: 2023-11-10 21:21:08 +0200 (Fri, 10 Nov 2023) $ #$Revision: 287519 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/10/1101049.cif $ #-------------------------------------------------------------------...

1,101,050

5.4145

0.009

5.4145

0.009

5.4145

0.009

90

null

90

null

90

null

158.7

null

2

F -4 3 m

F -4 2 3

216

Zinc sulfide

Sphalerite

- S Zn -

- S4 Zn4 -

4

0.041667

Jumpertz, E. A.

Electron-density distribution in zinc blende

Zeitschrift für Elektrochemie und angewandte physikalische Chemie

1,955

59

419

425

null

1,100,043

null

has coordinates

Jumpertz, E. A. Electron-density distribution in zinc blende Zeitschrift für Elektrochemie und angewandte physikalische Chemie 59 (1955) 419-425

174,986

2020-10-21

18:00:00

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1,101,051

3.8227

0.0001

3.8227

0.0001

6.2607

0.0001

90

null

90

null

120

null

79.2

null

2

P 63 m c

P 6c -2c

186

Zinc sulfide

Wurtzite

- S Zn -

- S2 Zn2 -

2

0.166667

Kisi, E. H.; Elcombe, M. M.

u parameters for the wurtzite structure of ZnS and ZnO using powder neutron diffraction

Acta Crystallographica, Section C: Crystal Structure Communications

1,989

45

12

1867

1870

10.1107/s0108270189004269

null

0.0575

null

1,100,044

null

has coordinates

Kisi, E. H.; Elcombe, M. M. u parameters for the wurtzite structure of ZnS and ZnO using powder neutron diffraction Acta Crystallographica, Section C: Crystal Structure Communications 45(12) (1989) 1867-1870

287,519

2023-11-10

19:29:20

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1,101,052

11.0481

0.0005

18.27

0.0008

21.386

0.0009

65.966

0.001

83.287

0.001

86.043

0.001

3,914.4

0.3

100

2

100

2

null

5

P -1

-P 1

2

- C40 H72 N40 Ni9 O42 -

- C40 H30 N40 Ni9 O42 -

- C80 H60 N80 Ni18 O84 -

2

1

Sawsan Salameh; Mohammad Abul-Haj; Miguel Quirós; Juan M. Salas

European Journal of Inorganic Chemistry

2,005

null

2779

2782

0.71073

MoKα

0.1142

0.0808

null

0.2202

0.2454

null

1.006

null

has coordinates

Sawsan Salameh; Mohammad Abul-Haj; Miguel Quirós; Juan M. Salas European Journal of Inorganic Chemistry (2005) 2779-2782

130,149

2020-10-21

18:00:00

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1,101,053

7.5479

0.0015

15.391

0.003

18.527

0.004

90

null

90

null

90

null

2,152.3

0.7

293

2

293

2

null

3

P b c a

-P 2ac 2ab

61

potassium tetramolybdate

- K2 Mo4 O13 -

- K16 Mo32 O104 -

8

1

Kazuo Eda; Kin Chin; Noriyuki Sotani; M. Stanley Whittingham

Journal of Solid State Chemistry

null

0.71073

MoKα

0.0344

0.0297

null

0.0764

0.0797

null

1.061

null

has coordinates

Kazuo Eda; Kin Chin; Noriyuki Sotani; M. Stanley Whittingham Journal of Solid State Chemistry ()

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/1/10/10/1101053.cif $ #-------------------------------------------------------------------...

1,101,054

5.18

null

8.98

null

15

null

90

null

90

null

90

null

697.75

null

4

P1

null

Montmorillonite

- Al2 Ca O12 Si4 -

- Al4 Ca O24 Si8 -

null

powder diffraction

null

has coordinates

()

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/1/10/10/1101054.cif $ #-------------------------------------------------------------------...

1,101,055

27.864

0.003

27.864

0.003

12.983

0.0017

90

null

90

null

120

null

8,729.7

1.6

293

2

293

2

null

3

P 63

P 6c

173

triptycenehydroquinone (TPHQ)

- C20 H14 O2 -

- C480 H336 O48 -

24

4

Yamamura, Kimiaki; Kawashima Taiga; Eda, Kazuo; Tajima, Fukue; Hashimoto, Masao

Solid solution of triptycenequinone and triptycenehydroquinone as a non-stoichiometric quinhydrone. Bathochromic changes in color caused by local intermolecular interaction between p-benzoquinone and hydroquinone moieties

Journal of Molecular Structure

2,005

737

1

6

10.1016/j.molstruc.2004.10.002

0.71073

MoKα

0.2565

0.1194

null

0.2649

0.3423

null

1.057

null

has coordinates

Yamamura, Kimiaki; Kawashima Taiga; Eda, Kazuo; Tajima, Fukue; Hashimoto, Masao Solid solution of triptycenequinone and triptycenehydroquinone as a non-stoichiometric quinhydrone. Bathochromic changes in color caused by local intermolecular interaction between p-benzoquinone and hydroquinone moieties Journal of Molecul...

176,428

2020-10-21

18:00:00

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1,101,056

6.8078

0.0001

9.3184

0.0002

17.5481

0.0003

90

null

90

null

90

null

1,113.21

0.03

120

2

120

2

null

4

P 21 21 21

P 2ac 2ab

19

- C13 H13 N O3 -

- C52 H52 N4 O12 -

4

1

Coles, Simon J.; Hursthouse, Michael B.; Whitby, Richard J.; Hunter, Rupert

private communication

null

has coordinates

Coles, Simon J.; Hursthouse, Michael B.; Whitby, Richard J.; Hunter, Rupert private communication ()

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/1/10/10/1101056.cif $ #-------------------------------------------------------------------...

7,015,114

21.715

0.001

9.014

0.003

20.493

0.002

90

null

116.97

0.01

90

null

3,575

1.3

200

null

200

null

6

P 1 2/c 1

-P 2yc

13

- C30 H34 F12 N10 P2 Ru -

- C30 H34 F11.999 N10 P2 Ru -

- C120 H136 F47.996 N40 P8 Ru4 -

4

1

Dinda, Joydev; Liatard, Sébastien; Chauvin, Jérôme; Jouvenot, Damien; Loiseau, Frédérique

Electronic and geometrical manipulation of the excited state of bis-terdentate homo- and heteroleptic ruthenium complexes.

Dalton transactions (Cambridge, England : 2003)

2,011

40

14

3683

3688

10.1039/c0dt01197e

0.71073

MoKα

0.0474

null

0.0481

null

0.0481

null

1.795

null

1.795

null

has coordinates

Dinda, Joydev; Liatard, Sébastien; Chauvin, Jérôme; Jouvenot, Damien; Loiseau, Frédérique Electronic and geometrical manipulation of the excited state of bis-terdentate homo- and heteroleptic ruthenium complexes. Dalton transactions (Cambridge, England : 2003) 40(14) (2011) 3683-3688

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/7/01/51/7015114.cif $ #-------------------------------------------------------------------...

1,101,057

10.046

0.002

13.354

0.003

13.128

0.003

90

null

112.08

0.03

90

null

1,631.9

0.6

297

2

297

2

null

6

P 1 21/n 1

-P 2yn

14

- C10 H12 Cl2 N8 O4 Pt -

- C40 H48 Cl8 N32 O16 Pt4 -

4

1

Salas, Juan M.; Quirós, Miguel; Abul Haj, Mohammad; Magán, Rosa; Marín, Clotilde; Sáchez-Moreno, Manuel; Faure, René

Activity of Pt(II) and Ru(III) Triazolopyrimidine Complexes Against Parasites of the Genus Leishmania, Trypanosomas and Phytomonas

Metal-Based Drugs

2,001

8

3

119

124

10.1155/MBD.2001.119

null

has coordinates

Salas, Juan M.; Quirós, Miguel; Abul Haj, Mohammad; Magán, Rosa; Marín, Clotilde; Sáchez-Moreno, Manuel; Faure, René Activity of Pt(II) and Ru(III) Triazolopyrimidine Complexes Against Parasites of the Genus Leishmania, Trypanosomas and Phytomonas Metal-Based Drugs 8(3) (2001) 119-124

199,777

2020-10-21

18:00:00

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1,101,058

5.3881

0.0007

18.245

0.002

8.71

0.0008

90

null

97.946

0.009

90

null

848.04

0.17

293

2

293

2

null

5

P 1 21/c 1

-P 2ybc

14

- C10 H8 Ag2 N10 O8 -

- C20 H16 Ag4 N20 O16 -

2

0.5

Mohammad Abul Haj; Miguel Quirós; Juan M. Salas; René Faure

Silver complexes with triazolopyrimidine ligands containing an exocyclic oxygen atom: X-ray evidence for an unusual tautomeric form.

Dalton Transactions

2,001

null

1798

1801

10.1039/B100869M

null

has coordinates

Mohammad Abul Haj; Miguel Quirós; Juan M. Salas; René Faure Silver complexes with triazolopyrimidine ligands containing an exocyclic oxygen atom: X-ray evidence for an unusual tautomeric form. Dalton Transactions (2001) 1798-1801

301,773

2025-08-18

12:42:42

#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:40:47 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301773 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/10/1101058.cif $ #-------------------------------------------------------------------...

1,101,059

5.6419

0.0011

8.6644

0.0017

11.136

0.002

74.07

0.03

81.49

0.03

76.53

0.03

507.02

0.17

295

2

295

2

null

6

P -1

-P 1

2

- C10 H12 Ag2 Cl2 N8 O12 -

1

0.5

Mohammad Abul Haj; Miguel Quirós; Juan M. Salas; René Faure

Silver complexes with triazolopyrimidine ligands containing an exocyclic oxygen atom: X-ray evidence for an unusual tautomeric form.

Dalton Transactions

2,001

null

1798

1801

10.1039/B100869M

null

has coordinates

Mohammad Abul Haj; Miguel Quirós; Juan M. Salas; René Faure Silver complexes with triazolopyrimidine ligands containing an exocyclic oxygen atom: X-ray evidence for an unusual tautomeric form. Dalton Transactions (2001) 1798-1801

301,773

2025-08-18

12:42:42

#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:40:47 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301773 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/10/1101059.cif $ #-------------------------------------------------------------------...

1,101,060

6.6046

0.001

14.487

0.002

9.9594

0.0012

90

null

93.379

0.01

90

null

951.3

0.2

293

2

293

2

null

6

C 1 c 1

C -2yc

9

- C5 H4 Ag Cl N4 O5 -

- C20 H16 Ag4 Cl4 N16 O20 -

4

1

Mohammad Abul Haj; Miguel Quirós; Juan M. Salas; René Faure

Silver complexes with triazolopyrimidine ligands containing an exocyclic oxygen atom: X-ray evidence for an unusual tautomeric form.

Dalton Transactions

2,001

null

1798

1801

10.1039/B100869M

null

has coordinates

Mohammad Abul Haj; Miguel Quirós; Juan M. Salas; René Faure Silver complexes with triazolopyrimidine ligands containing an exocyclic oxygen atom: X-ray evidence for an unusual tautomeric form. Dalton Transactions (2001) 1798-1801

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/1/10/10/1101060.cif $ #-------------------------------------------------------------------...

1,101,061

25.778

0.005

13.521

0.003

13.315

0.003

90

null

98.06

0.03

90

null

4,595

1.6

293

2

293

2

null

6

C 1 2/c 1

-C 2yc

15

- C36 H32 Ag2 N26 O14 Pt2 -

- C36 H24 Ag2 N26 O14 Pt2 -

- C144 H96 Ag8 N104 O56 Pt8 -

4

0.5

Mohammad Abul Haj; Miguel Quirós; Juan M. Salas; René Faure

Structure of a tetranuclear heterometallic Ag(I)-Pt(II) complex with a triazolopyrimidine derivative.

Inorganic Chemistry Communications

2,001

4

254

256

10.1016/S1387-7003(01)00190-3

null

has coordinates

Mohammad Abul Haj; Miguel Quirós; Juan M. Salas; René Faure Structure of a tetranuclear heterometallic Ag(I)-Pt(II) complex with a triazolopyrimidine derivative. Inorganic Chemistry Communications 4 (2001) 254-256

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/1/10/10/1101061.cif $ #-------------------------------------------------------------------...

1,101,062

5.4931

0.0012

15.038

0.003

5.6511

0.0011

90

null

90

null

90

null

466.81

0.17

1,100

null

1,100

null

3

Imma(00\g)s00

null

- Ca2 Fe2 O5 -

- Ca2 Fe3 O6 -

- Ca8 Fe12 O24 -

4

null

SN5023

Krüger, Hannes; Kahlenberg, Volker

Incommensurately modulated ordering of tetrahedral chains in Ca~2~Fe~2~O~5~ at elevated temperatures

Acta Crystallographica Section B

2,005

61

06

656

662

10.1107/S0108768105026480

0.71073

MoKα

0.0667

0.053

null

0.0535

0.055

null

3.15

2.91

null

has coordinates

Krüger, Hannes; Kahlenberg, Volker Incommensurately modulated ordering of tetrahedral chains in Ca~2~Fe~2~O~5~ at elevated temperatures Acta Crystallographica Section B 61(06) (2005) 656-662

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/1/10/10/1101062.cif $ #-------------------------------------------------------------------...

7,015,113

9.4515

0.0009

25.829

0.005

20.192

0.007

90

null

94.017

0.008

90

null

4,917

2

150

2

150

2

null

6

P 1 21/n 1

-P 2yn

14

- C36 H32 Ag5 I5 N8 S4 -

- C144 H128 Ag20 I20 N32 S16 -

4

1

Beheshti, Azizollah; Clegg, William; Khorramdin, Rahman; Nobakht, Valiollah; Russo, Luca

Synthesis and structural characterization of mixed-metal complexes of Cu(I) with MOS3 cores (M = Mo, W) and of an unusual polymeric AgI/mercaptoimidazole complex with five different Ag(I) coordination environments.

Dalton transactions (Cambridge, England : 2003)

2,011

40

12

2815

2821

10.1039/c0dt01195a

0.71073

MoKα

0.0325

0.0242

null

0.0567

0.0611

null

1.092

null

has coordinates

Beheshti, Azizollah; Clegg, William; Khorramdin, Rahman; Nobakht, Valiollah; Russo, Luca Synthesis and structural characterization of mixed-metal complexes of Cu(I) with MOS3 cores (M = Mo, W) and of an unusual polymeric AgI/mercaptoimidazole complex with five different Ag(I) coordination environments. Dalton transacti...

179,855

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-25 13:38:46 +0200 (Fri, 25 Mar 2016) $ #$Revision: 179855 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/51/7015113.cif $ #-------------------------------------------------------------------...

1,101,063

5.4473

0.0008

14.839

0.002

5.6185

0.0008

90

null

90

null

90

null

454.15

0.12

485

5

485

5

null

3

P n m a

-P 2ac 2n

62

- Ca2 Fe2 O5 -

- Ca8 Fe8 O20 -

4

0.5

Kruger, Hannes; Kahlenberg, Volker

'Unpublished'

null

2.73

null

has coordinates

Kruger, Hannes; Kahlenberg, Volker 'Unpublished' ()

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/1/10/10/1101063.cif $ #-------------------------------------------------------------------...

1,101,064

5.4589

0.0008

14.907

0.002

5.6277

0.0008

90

null

90

null

90

null

457.95

0.12

700

5

700

5

null

3

P n m a

-P 2ac 2n

62

- Ca2 Fe2 O5 -

- Ca8 Fe8 O20 -

4

0.5

Kruger, Hannes; Kahlenberg, Volker

'Unpublished'

null

2.87

null

has coordinates

Kruger, Hannes; Kahlenberg, Volker 'Unpublished' ()

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/1/10/10/1101064.cif $ #-------------------------------------------------------------------...

1,101,065

5.472

0.0008

14.975

0.002

5.6368

0.0008

90

null

90

null

90

null

461.89

0.12

900

5

900

5

null

3

P n m a

-P 2ac 2n

62

- Ca2 Fe2 O5 -

- Ca8 Fe8 O20 -

4

0.5

Kruger, Hannes; Kahlenberg, Volker

'Unpublished'

null

3.18

null

has coordinates

Kruger, Hannes; Kahlenberg, Volker 'Unpublished' ()

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/1/10/10/1101065.cif $ #-------------------------------------------------------------------...

1,101,066

5.4421

0.0008

14.785

0.002

5.6112

0.0008

90

null

90

null

90

null

451.5

0.12

300

2

300

2

null

3

P n m a

-P 2ac 2n

62

- Ca2 Fe2 O5 -

- Ca8 Fe8 O20 -

4

0.5

Kruger, Hannes; Kahlenberg, Volker

'Unpublished'

null

2.9

null

has coordinates

Kruger, Hannes; Kahlenberg, Volker 'Unpublished' ()

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/1/10/10/1101066.cif $ #-------------------------------------------------------------------...

1,101,067

12.5

0.05

5.01

0.02

12.16

0.04

90

null

109

null

90

null

720.031

null

4

P 1 21/c 1

-P 2ybc

14

- C4 H11 N3 O3 -

- C16 H44 N12 O12 -

4

1

Mendel, H.; Hodgkin, D. C.

The crystal structure of creatine monohydrate

Acta Crystallographica

1,954

7

5

443

446

10.1107/S0365110X54001326

null

has coordinates

Mendel, H.; Hodgkin, D. C. The crystal structure of creatine monohydrate Acta Crystallographica 7(5) (1954) 443-446

301,773

2025-08-18

12:42:42

#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:40:47 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301773 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/10/1101067.cif $ #-------------------------------------------------------------------...

1,101,068

12.52

null

5.03

null

12.18

null

90

null

108.8

null

90

null

726.121

null

4

P 1 21/c 1

-P 2ybc

14

- C4 H11 N3 O3 -

- C16 H44 N12 O12 -

4

1

Jensen, L. H.

The crystal structure of creatine monohydrate

Acta Crystallographica

1,955

8

4

237

240

10.1107/S0365110X55000789

null

5,000,026

null

has coordinates

Jensen, L. H. The crystal structure of creatine monohydrate Acta Crystallographica 8(4) (1955) 237-240

176,428

2020-10-21

18:00:00

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1,101,069

12.51

0.006

5.048

0.001

12.191

0.001

90

null

108.9

0.3

90

null

728.36

null

4

P 1 21/c 1

-P 2ybc

14

- C4 H11 N3 O3 -

- C16 H44 N12 O12 -

4

1

Y.Kato; Y.Haimoto; K.Sakurai

Bull.Chem.Soc.Jpn.

1,979

52

233

10.1246/bcsj.52.233

null

has coordinates

Y.Kato; Y.Haimoto; K.Sakurai Bull.Chem.Soc.Jpn. 52 (1979) 233

176,729

2020-10-21

18:00:00

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1,101,070

12.492

0.004

4.967

0.001

12.051

0.004

90

null

109.1

0.02

90

null

706.574

null

20

null

4

P 1 21/c 1

-P 2ybc

14

Creatine monohydrate

- C4 H11 N3 O3 -

- C16 H44 N12 O12 -

4

1

C.S.Frampton; C.C.Wilson; N.Shankland; A.J.Florence

J.Chem.Soc.,Faraday Trans.

1,997

93

1875

10.1039/a701292f

null

has coordinates

C.S.Frampton; C.C.Wilson; N.Shankland; A.J.Florence J.Chem.Soc.,Faraday Trans. 93 (1997) 1875

176,729

2020-10-21

18:00:00

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1,101,071

12.489

0.007

4.987

0.001

12.075

0.006

90

null

108.86

0.03

90

null

711.686

null

123

null

4

P 1 21/c 1

-P 2ybc

14

Creatine monohydrate

- C4 H11 N3 O3 -

- C16 H44 N12 O12 -

4

1

Frampton, Christopher S.; Wilson, Chick C.; Shankland, Norman; Florence, Alastair J.

Single-crystal neutron refinement of creatine monohydrate at 20 K and 123 K

Journal of the Chemical Society, Faraday Transactions

1,997

93

10

1875

1879

10.1039/a701292f

null

has coordinates

Frampton, Christopher S.; Wilson, Chick C.; Shankland, Norman; Florence, Alastair J. Single-crystal neutron refinement of creatine monohydrate at 20 K and 123 K Journal of the Chemical Society, Faraday Transactions 93(10) (1997) 1875-1879

301,773

2025-08-18

12:42:42

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1,101,072

12.159

0.001

5.038

0.002

12.491

0.002

90

null

108.87

0.01

90

null

724.038

null

4

P 1 21/a 1

-P 2yab

14

N-(Aminoiminomethyl)-N-methylglycine monohydrate

- C4 H11 N3 O3 -

- C16 H44 N12 O12 -

4

1

Arakali, Aruna V.; McCloskeyt, J.; Parthasarathy, R.; Alderfer, J. L.; Chheda, G. B.; Srikrishnan, T.

Study of Creatinine and its 5-Alkoxy Analogs: Structure and Conformational Studies in the Solid and Solution States by X-Ray Crystallography, NMR, UV and Mass Spectrometry

Nucleosides & Nucleotides

1,997

16

12

2193

2218

10.1080/07328319708002567

null

has coordinates

Arakali, Aruna V.; McCloskeyt, J.; Parthasarathy, R.; Alderfer, J. L.; Chheda, G. B.; Srikrishnan, T. Study of Creatinine and its 5-Alkoxy Analogs: Structure and Conformational Studies in the Solid and Solution States by X-Ray Crystallography, NMR, UV and Mass Spectrometry Nucleosides & Nucleotides 16(12) (1997) 2193-2...

301,773

2025-08-18

12:42:42

#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:40:47 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301773 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/10/1101072.cif $ #-------------------------------------------------------------------...

1,101,073

10.2473

0.0005

16.1318

0.0008

16.2087

0.0012

90

null

90

null

90

null

2,679.4

0.3

293

2

293

2

null

5

P b c a

-P 2ac 2ab

61

- C20 H20 Cu2 N16 O8 -

- C80 H80 Cu8 N64 O32 -

4

0.5

Mohammad Abul Haj; Miguel Quirós; Juan M. Salas; José A. Dobado; José Molina Molina; Manuel G. Basallote; M. Ángeles Máñez

European Journal of Inorganic Chemistry

2,002

null

811

818

null

0.1138

null

0.1913

null

has coordinates

Mohammad Abul Haj; Miguel Quirós; Juan M. Salas; José A. Dobado; José Molina Molina; Manuel G. Basallote; M. Ángeles Máñez European Journal of Inorganic Chemistry (2002) 811-818

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/1/10/10/1101073.cif $ #-------------------------------------------------------------------...

1,101,074

11.9565

0.0015

14.422

0.003

23.888

0.004

90

null

104.132

0.01

90

null

3,994.5

1.2

295

1

295

1

null

5

P 1 21/c 1

-P 2ybc

14

- C34 H34 Cu2 N14 O14 -

- C34 H22 Cu2 N14 O14 -

- C136 H88 Cu8 N56 O56 -

4

1

Mohammad Abul Haj; Miguel Quirós; Juan M. Salas; José A. Dobado; José Molina Molina; Manuel G. Basallote; M. Ángeles Máñez

European Journal of Inorganic Chemistry

2,002

null

811

818

null

0.0718

null

0.1386

null

has coordinates

Mohammad Abul Haj; Miguel Quirós; Juan M. Salas; José A. Dobado; José Molina Molina; Manuel G. Basallote; M. Ángeles Máñez European Journal of Inorganic Chemistry (2002) 811-818

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/1/10/10/1101074.cif $ #-------------------------------------------------------------------...

1,101,075

11.6132

0.0009

12.2274

0.0008

14.7856

0.0012

97.278

0.007

108.381

0.006

110.615

0.006

1,796.8

0.2

293

2

293

2

null

6

P -1

-P 1

2

- C22 H29 Cl2 Cu2 N16 O15.5 -

- C22 H24 Cl2 Cu2 N16 O15.5 -

- C44 H48 Cl4 Cu4 N32 O31 -

2

1

Mohammad Abul Haj; Miguel Quirós; Juan M. Salas; José A. Dobado; José Molina Molina; Manuel G. Basallote; M. Ángeles Máñez

European Journal of Inorganic Chemistry

2,002

null

811

818

null

has coordinates,has disorder

Mohammad Abul Haj; Miguel Quirós; Juan M. Salas; José A. Dobado; José Molina Molina; Manuel G. Basallote; M. Ángeles Máñez European Journal of Inorganic Chemistry (2002) 811-818

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/1/10/10/1101075.cif $ #-------------------------------------------------------------------...

1,101,076

15.75

0.006

19.125

0.003

4.03

0.004

90

null

91.68

0.08

90

null

1,213.4

1.3

296

null

Synthetic

4

P 1 21/a 1

-P 2yab

14

Iron tetralead hexaantimony sulfide

Jamesonite

- Fe Pb4 S14 Sb6 -

- Fe2 Pb8 S28 Sb12 -

2

0.5

Matsushita, Yoshitaka; Ueda, Yutaka

Structure and Physical Properties of 1D Magnetic Chalcogenide, Jamesonite (FePb4Sb6S14)

Inorg. Chem.

2,003

42

7830

7838

10.1021/ic034634t

null

has coordinates

Matsushita, Yoshitaka; Ueda, Yutaka Structure and Physical Properties of 1D Magnetic Chalcogenide, Jamesonite (FePb4Sb6S14) Inorg. Chem. 42 (2003) 7830-7838

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/1/10/10/1101076.cif $ #-------------------------------------------------------------------...

1,101,077

8.2437

0.0002

8.2437

0.0002

8.2437

0.0002

90

null

90

null

90

null

560.23

0.02

295

null

Synthetic

3

F d -3 m :2

-F 4vw 2vw 3

227

- Li O4 V2 -

- Li8 O32 V16 -

8

0.041667

MG6039

Matsushita, Yoshitaka; Yamaura, Jun-Ichi; Ueda, Yutaka

Lithium divanadate spinel, LiV~2~O~4~

Acta Crystallographica, Section E

2,005

61

8

i137

i139

10.1107/S1600536805020155

0.71073

MoKα

null

0.0261

null

0.0762

null

0.845

null

has coordinates

Matsushita, Yoshitaka; Yamaura, Jun-Ichi; Ueda, Yutaka Lithium divanadate spinel, LiV~2~O~4~ Acta Crystallographica, Section E 61(8) (2005) i137-i139

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/1/10/10/1101077.cif $ #-------------------------------------------------------------------...

1,101,078

8.4812

0.0013

10.5077

0.0012

11.8177

0.0013

80.425

0.009

71.135

0.01

86.857

0.011

982.7

0.2

293

2

293

2

null

5

P -1

-P 1

2

- C24 H52 Br1.33 N10.67 O18 -

- C24 H52 Br1.34 N10.66 O17.98 -

1

0.5

Manuel G. Basallote; Joaquín Durán; María J. Fernández-Trujillo; M. Ángeles Máñez; Miguel Quirós; Juan M. Salas

Polyhedron

2,001

20

297

305

10.1016/S0277-5387(00)00630-6

null

has coordinates,has disorder

Manuel G. Basallote; Joaquín Durán; María J. Fernández-Trujillo; M. Ángeles Máñez; Miguel Quirós; Juan M. Salas Polyhedron 20 (2001) 297-305

201,202

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-09-25 00:04:19 +0300 (Mon, 25 Sep 2017) $ #$Revision: 201202 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/10/1101078.cif $ #-------------------------------------------------------------------...

7,015,112

12.8515

0.0015

12.8515

0.0015

12.8515

0.0015

61.399

0.017

61.399

0.017

61.399

0.017

1,548

0.5

150

2

150

2

null

8

R -3 :R

-P 3*

148

- C15 H30 Cu3 I N6 O S6 W -

- C30 H60 Cu6 I2 N12 O2 S12 W2 -

2

0.333333

Beheshti, Azizollah; Clegg, William; Khorramdin, Rahman; Nobakht, Valiollah; Russo, Luca

Synthesis and structural characterization of mixed-metal complexes of Cu(I) with MOS3 cores (M = Mo, W) and of an unusual polymeric AgI/mercaptoimidazole complex with five different Ag(I) coordination environments.

Dalton transactions (Cambridge, England : 2003)

2,011

40

12

2815

2821

10.1039/c0dt01195a

0.71073

MoKα

0.0738

0.0655

null

0.1625

0.1713

null

1.101

null

has coordinates

Beheshti, Azizollah; Clegg, William; Khorramdin, Rahman; Nobakht, Valiollah; Russo, Luca Synthesis and structural characterization of mixed-metal complexes of Cu(I) with MOS3 cores (M = Mo, W) and of an unusual polymeric AgI/mercaptoimidazole complex with five different Ag(I) coordination environments. Dalton transacti...

179,855

2020-10-21

18:00:00

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1,101,079

4.9038

0.0005

23.481

0.003

15.392

0.002

90

null

90.14

0.01

90

null

1,772.3

0.4

293

2

293

2

null

3

P 1 21/c 1

-P 2ybc

14

- Na6 O19 Si8 -

- Na24 O76 Si32 -

4

1

Kruger, Hannes; Kahlenberg, Volker; Kaindl, R.

Structural studies on Na6Si8O19 - a monophyllosilicate with a new type of layered silicate anion

Solid State Sciences

2,005

7

1390

1396

10.1016/j.solidstatesciences.2005.08.002

null

has coordinates

Kruger, Hannes; Kahlenberg, Volker; Kaindl, R. Structural studies on Na6Si8O19 - a monophyllosilicate with a new type of layered silicate anion Solid State Sciences 7 (2005) 1390-1396

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/1/10/10/1101079.cif $ #-------------------------------------------------------------------...

1,101,080

8.272

0.004

8.271986

null

17.581

0.002

90

null

90

null

120

null

1,041.82

null

5

P -3 1 c

null

Caesium Molybdosilicophosphate

- Cs Mo3 O25 P5.8 Si2 -

- Cs Mo3 O25 P5.802 Si2 -

- Cs2 Mo6 O50 P11.604 Si4 -

2

0.166667

Caesium Molybdosilicophosphate

null

has coordinates

Caesium Molybdosilicophosphate ()

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/1/10/10/1101080.cif $ #-------------------------------------------------------------------...

1,101,081

4.241

null

4.241

null

4.241

null

90

null

90

null

90

null

76.28

null

2

F m -3 m

null

Phase_x

- N Ti -

- N4 Ti4 -

1

0.005208

A1803_4

null

has coordinates

A1803_4 ()

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/1/10/10/1101081.cif $ #-------------------------------------------------------------------...

1,101,082

3.948301

null

3.948301

null

3.912805

null

90

null

90

null

90

null

61

null

4

P 4 m m

null

Lead titanium oxide

- Hf0.4 O3 Pb Ti0.6 -

- Ca0.24 O3 Pb0.76 Ti -

1

0.125

LaB6 powder 1x1 slits

null

has coordinates

LaB6 powder 1x1 slits ()

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/1/10/10/1101082.cif $ #-------------------------------------------------------------------...

1,101,083

11.0481

0.0005

18.27

0.0008

21.386

0.0009

65.966

0.001

83.287

0.001

86.043

0.001

3,914.4

0.3

100

2

100

2

null

5

P -1

-P 1

2

- C40 H72 N40 Ni9 O42 -

- C40 H30 N40 Ni9 O42 -

- C80 H60 N80 Ni18 O84 -

2

1

Sawsan Salameh; Mohammad Abul-Haj; Miguel Quirós; Juan M. Salas

European Journal of Inorganic Chemistry

2,005

null

2779

2782

null

1,101,052

null

has coordinates

Sawsan Salameh; Mohammad Abul-Haj; Miguel Quirós; Juan M. Salas European Journal of Inorganic Chemistry (2005) 2779-2782

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/1/10/10/1101083.cif $ #-------------------------------------------------------------------...

1,101,084

15.468

0.006

20.652

0.01

25.162

0.005

90

null

90

null

90

null

8,038

5

293

2

293

2

null

6

P b c a

-P 2ac 2ab

61

- C34 H26 Cl2 N12 O12 Pd2 -

- C34 H22 Cl2 N12 O12 Pd2 -

- C272 H176 Cl16 N96 O96 Pd16 -

8

1

Mohammad Abul Haj; Miguel Quirós; Juan M. Salas

Solution and solid state coexistence of head‒head and head‒tail isomers in dimeric Pd(II) and Pt(II) complexes of the type [M2(a‒a)2(µ-L-N3N4)2]2+ with a bridging triazolopyrimidine ligand and chelating bidentate diamines

J. Chem. Soc., Dalton Trans.

2,002

null

24

4740

4745

10.1039/b207263g

0.71073

MoKα

0.2782

0.1483

null

0.2413

0.2882

null

1.485

null

has coordinates

Mohammad Abul Haj; Miguel Quirós; Juan M. Salas Solution and solid state coexistence of head‒head and head‒tail isomers in dimeric Pd(II) and Pt(II) complexes of the type [M2(a‒a)2(µ-L-N3N4)2]2+ with a bridging triazolopyrimidine ligand and chelating bidentate diamines J. Chem. Soc., Dalton Trans. (issue 24) (2002) 474...

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/1/10/10/1101084.cif $ #-------------------------------------------------------------------...

1,101,085

11.1799

0.0014

18.94

0.0018

9.6374

0.0008

90

null

90

null

90

null

2,040.7

0.4

293

2

293

2

null

6

P m m n :2

-P 2ab 2a

59

- C26 H29 Cl3 N16 O19 Pd2 -

- C26 H18 Cl3 N16 O19 Pd2 -

- C52 H36 Cl6 N32 O38 Pd4 -

2

0.25

Mohammad Abul Haj; Miguel Quirós; Juan M. Salas

Solution and solid state coexistence of head‒head and head‒tail isomers in dimeric Pd(II) and Pt(II) complexes of the type [M2(a‒a)2(µ-L-N3N4)2]2+ with a bridging triazolopyrimidine ligand and chelating bidentate diamines

J. Chem. Soc., Dalton Trans.

2,002

null

24

4740

4745

10.1039/b207263g

0.71073

MoKα

0.1404

0.0821

null

0.1705

0.2107

null

1.114

null

has coordinates,has disorder

Mohammad Abul Haj; Miguel Quirós; Juan M. Salas Solution and solid state coexistence of head‒head and head‒tail isomers in dimeric Pd(II) and Pt(II) complexes of the type [M2(a‒a)2(µ-L-N3N4)2]2+ with a bridging triazolopyrimidine ligand and chelating bidentate diamines J. Chem. Soc., Dalton Trans. (issue 24) (2002) 474...

213,973

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2019-03-05 10:52:05 +0200 (Tue, 05 Mar 2019) $ #$Revision: 213973 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/10/1101085.cif $ #-------------------------------------------------------------------...

1,101,086

26.509

0.002

26.509

0.002

10.1184

0.0013

90

null

90

null

120

null

6,157.9

1

293

2

293

2

null

5

P 6/m

-P 6

175

- C26 H30 N18 O14 Pt2 -

- C26 H18 N18 O14 Pt2 -

- C156 H108 N108 O84 Pt12 -

6

0.5

Mohammad Abul Haj; Miguel Quirós; Juan M. Salas

Solution and solid state coexistence of head‒head and head‒tail isomers in dimeric Pd(II) and Pt(II) complexes of the type [M2(a‒a)2(µ-L-N3N4)2]2+ with a bridging triazolopyrimidine ligand and chelating bidentate diamines

J. Chem. Soc., Dalton Trans.

2,002

null

24

4740

4745

10.1039/b207263g

0.71073

MoKα

0.0782

0.0494

null

0.1524

0.1703

null

1.137

null

has coordinates

Mohammad Abul Haj; Miguel Quirós; Juan M. Salas Solution and solid state coexistence of head‒head and head‒tail isomers in dimeric Pd(II) and Pt(II) complexes of the type [M2(a‒a)2(µ-L-N3N4)2]2+ with a bridging triazolopyrimidine ligand and chelating bidentate diamines J. Chem. Soc., Dalton Trans. (issue 24) (2002) 474...

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/1/10/10/1101086.cif $ #-------------------------------------------------------------------...

7,015,111

13.019

0.002

13.019

0.002

63.286

0.01

90

null

90

null

120

null

9,290

2

150

2

150

2

null

8

R -3 c :H

-R 3 2"c

167

- C16.5 H33 Cu3 I Mo N6 O1.5 S6 -

- C15 H30 Cu3 I Mo N6 O S6 -

- C180 H360 Cu36 I12 Mo12 N72 O12 S72 -

12

0.333333

Beheshti, Azizollah; Clegg, William; Khorramdin, Rahman; Nobakht, Valiollah; Russo, Luca

Synthesis and structural characterization of mixed-metal complexes of Cu(I) with MOS3 cores (M = Mo, W) and of an unusual polymeric AgI/mercaptoimidazole complex with five different Ag(I) coordination environments.

Dalton transactions (Cambridge, England : 2003)

2,011

40

12

2815

2821

10.1039/c0dt01195a

0.71073

MoKα

0.1054

0.0773

null

0.214

0.2274

null

1.121

null

has coordinates,has disorder

Beheshti, Azizollah; Clegg, William; Khorramdin, Rahman; Nobakht, Valiollah; Russo, Luca Synthesis and structural characterization of mixed-metal complexes of Cu(I) with MOS3 cores (M = Mo, W) and of an unusual polymeric AgI/mercaptoimidazole complex with five different Ag(I) coordination environments. Dalton transacti...

179,855

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-25 13:38:46 +0200 (Fri, 25 Mar 2016) $ #$Revision: 179855 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/51/7015111.cif $ #-------------------------------------------------------------------...

1,101,087

54.836

0.008

15.923

0.001

12.299

0.001

90

null

94.382

0.009

90

null

10,707.5

1.9

293

2

293

2

null

6

C 1 2/c 1

-C 2yc

15

- C36 H24 Cu F12 N6 P2 -

- C432 H288 Cu12 F144 N72 P24 -

12

1.5

José M. Seco; María J. González Garmendia; Miguel Quirós

Journal of Coordination Chemistry

2,002

55

345

351

10.1080/00958970211891

null

0.0883

null

0.2557

null

has coordinates

José M. Seco; María J. González Garmendia; Miguel Quirós Journal of Coordination Chemistry 55 (2002) 345-351

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/1/10/10/1101087.cif $ #-------------------------------------------------------------------...