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

2,008,815

12.565

0.002

10.784

0.001

14.512

0.001

90

null

105.716

0.008

90

null

1,892.9

0.4

296.2

null

296.2

null

3

P 1 21/n 1

-P 2yn

14

2,11-dithia[3.3.1]paracyclophane

- C23 H22 S2 -

- C92 H88 S8 -

4

1

OB1006

Itoh, Kuniaki; Nishikawa, Kazuyoshi; Hashimoto, Masao; Yamada, Hiroaki

2,11-Dithia[3.3.1]paracyclophane, (I), and 2,11-dithia[3.3.2]paracyclophane, (II)

Acta Crystallographica Section C

1,999

55

8

1357

1360

10.1107/S0108270199004503

0.7107

MoKα

null

0.0613

null

0.0535

null

1.341

null

has coordinates

Itoh, Kuniaki; Nishikawa, Kazuyoshi; Hashimoto, Masao; Yamada, Hiroaki 2,11-Dithia[3.3.1]paracyclophane, (I), and 2,11-dithia[3.3.2]paracyclophane, (II) Acta Crystallographica Section C 55(8) (1999) 1357-1360

301,791

2025-08-18

23:15:33

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2,008,816

14.345

0.003

7.585

0.003

19.248

0.002

90

null

105.57

0.01

90

null

2,017.5

0.9

298.2

null

298.2

null

3

P 1 21/n 1

-P 2yn

14

2,11-dithia[3.3.2]paracyclophane

- C24 H24 S2 -

- C96 H96 S8 -

4

1

OB1006

Itoh, Kuniaki; Nishikawa, Kazuyoshi; Hashimoto, Masao; Yamada, Hiroaki

2,11-Dithia[3.3.1]paracyclophane, (I), and 2,11-dithia[3.3.2]paracyclophane, (II)

Acta Crystallographica Section C

1,999

55

8

1357

1360

10.1107/S0108270199004503

1.5418

CuKα

null

0.0421

null

0.0444

null

1.484

null

has coordinates

Itoh, Kuniaki; Nishikawa, Kazuyoshi; Hashimoto, Masao; Yamada, Hiroaki 2,11-Dithia[3.3.1]paracyclophane, (I), and 2,11-dithia[3.3.2]paracyclophane, (II) Acta Crystallographica Section C 55(8) (1999) 1357-1360

301,791

2025-08-18

23:15:33

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2,008,817

13.939

0.005

16.806

0.005

15.596

0.004

90

null

107.11

0.02

90

null

3,491.8

1.9

298

null

298

null

6

C 1 2/c 1

-C 2yc

15

Bis(tetrahydrofuran)(meso-tetraethylporphyrinato)iron(III) perchlorate

- C36 H44 Cl Fe N4 O6 -

- C144 H176 Cl4 Fe4 N16 O24 -

4

0.5

OB1008

Ohgo, Yoshiki; Saitoh, Takashi; Nakamura, Mikio

(meso-Tetraethylporphyrinato)bis(tetrahydrofuran)iron(III) perchlorate

Acta Crystallographica Section C

1,999

55

8

1284

1286

10.1107/S0108270199005429

0.71069

MoKα

0.117

0.054

null

0.157

null

1.05

null

has coordinates

Ohgo, Yoshiki; Saitoh, Takashi; Nakamura, Mikio (meso-Tetraethylporphyrinato)bis(tetrahydrofuran)iron(III) perchlorate Acta Crystallographica Section C 55(8) (1999) 1284-1286

176,435

2020-10-21

18:00:00

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2,008,818

7.8427

0.0012

10.2644

0.0013

16.961

0.002

90

null

90

null

90

null

1,365.4

0.3

122

2

122

2

null

3

P 21 21 21

P 2ac 2ab

19

5,7-diphenyl[1,2,4]triazolo[1,5-a]pyrimidine

- C17 H12 N4 -

- C68 H48 N16 -

4

1

OS1048

Surdykowski, Andrzej; Szłyk, Edward; Larsen, Sine

5,7-Diphenyl[1,2,4]triazolo[1,5-a]pyrimidine at 122K

Acta Crystallographica Section C

1,999

55

8

1337

1339

10.1107/S0108270199004631

1.54184

CuKα

0.0315

0.0311

null

0.0809

null

1.02

null

has coordinates

Surdykowski, Andrzej; Szłyk, Edward; Larsen, Sine 5,7-Diphenyl[1,2,4]triazolo[1,5-a]pyrimidine at 122K Acta Crystallographica Section C 55(8) (1999) 1337-1339

301,791

2025-08-18

23:15:33

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2,008,819

8.217

0.002

16.7363

0.0011

12.029

0.004

90

null

100.53

0.04

90

null

1,626.4

0.7

208

2

293

2

null

6

P 1 21/c 1

-P 2ybc

14

trans-difluoro-chloro-tris(pyridine)-osmium-(III)

- C15 H15 Cl F2 N3 Os -

- C60 H60 Cl4 F8 N12 Os4 -

4

1

OS1051

Kolf, Stephan; Preetz, Wilhelm

trans-Chlorodifluorotris(pyridine-N)osmium(III)

Acta Crystallographica Section C

1,999

55

8

1216

1218

10.1107/S010827019900205X

0.71069

MoKα

0.03

0.02

null

0.059

null

0.934

null

has coordinates

Kolf, Stephan; Preetz, Wilhelm trans-Chlorodifluorotris(pyridine-N)osmium(III) Acta Crystallographica Section C 55(8) (1999) 1216-1218

176,759

2020-10-21

18:00:00

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2,008,820

7.203

0.001

7.67

0.002

12.197

0.002

90

null

99.1

0.03

90

null

665.4

0.2

293

2

293

2

null

4

P 1 21 1

P 2yb

4

- C17 H14 N2 O -

- C34 H28 N4 O2 -

2

1

OS1054

Govindasamy, L.; Velmurugan, D.; Rajendran, T.M.

An N···H—O intramolecular strong hydrogen bond in N-(2-aminophenyl)naphthaldimine

Acta Crystallographica Section C

1,999

55

8

1368

1369

10.1107/S0108270199004527

1.54178

CuKα

0.0344

0.0318

null

0.1067

null

1.039

null

has coordinates,has Fobs

Govindasamy, L.; Velmurugan, D.; Rajendran, T.M. An N···H—O intramolecular strong hydrogen bond in N-(2-aminophenyl)naphthaldimine Acta Crystallographica Section C 55(8) (1999) 1368-1369

301,791

2025-08-18

23:15:33

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2,008,821

10.2215

0.0002

20.8692

0.0004

12.87

0.0001

90

null

98.13

0.001

90

null

2,717.77

0.08

293

2

293

2

null

5

P 1 21/c 1

-P 2ybc

14

- C30 H26 N2 O6 S -

- C120 H104 N8 O24 S4 -

4

1

OS1056

Govindasamy, L.; Velmurugan, D.; Shanmuga Sundara Raj, S.; Hoong-Kun Fun

Dimethyl α-(2-benzyl-1-methyl-4-phenylsulfonylpyrrolo[3,4-b]indol-3-yl)maleate

Acta Crystallographica Section C

1,999

55

8

1315

1317

10.1107/S010827019900565X

0.71073

MoKα

0.07

0.0487

null

0.1756

null

1.129

null

has coordinates,has Fobs

Govindasamy, L.; Velmurugan, D.; Shanmuga Sundara Raj, S.; Hoong-Kun Fun Dimethyl α-(2-benzyl-1-methyl-4-phenylsulfonylpyrrolo[3,4-b]indol-3-yl)maleate Acta Crystallographica Section C 55(8) (1999) 1315-1317

301,791

2025-08-18

23:15:33

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4,321,907

12.191

0.001

18.5

0.001

13.015

0.001

90

null

95.928

0.008

90

null

2,919.6

0.4

130

null

130

null

by syntheses

6

P 1 21/n 1

-P 2yn

14

- C26 H28 Cl2 Fe N6 O9 -

- C25 H24 Cl2 Fe N6 O8 -

- C100 H96 Cl8 Fe4 N24 O32 -

4

1

Gerard Roelfes; Marcel Lubben; Kui Chen; Raymond Y. N. Ho; Auke Meetsma; Susan Genseberger; Roel M. Hermant; Ronald Hage; Sanjay K. Mandal; Victor G. Young,; Yan Zang; Huub Kooijman; Anthony L. Spek; Lawrence Que,; Ben L. Feringa

Iron Chemistry of a Pentadentate Ligand That Generates a Metastable FeIII-OOH Intermediate

Inorganic Chemistry

1,999

38

1929

1936

10.1021/ic980983p

0.71073

MoKα

null

0.046

null

0.049

null

1.925

null

has coordinates

Gerard Roelfes; Marcel Lubben; Kui Chen; Raymond Y. N. Ho; Auke Meetsma; Susan Genseberger; Roel M. Hermant; Ronald Hage; Sanjay K. Mandal; Victor G. Young,; Yan Zang; Huub Kooijman; Anthony L. Spek; Lawrence Que,; Ben L. Feringa Iron Chemistry of a Pentadentate Ligand That Generates a Metastable FeIII-OOH Intermediate...

179,322

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:19:29 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179322 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/19/4321907.cif $ #-------------------------------------------------------------------...

2,008,822

8.7236

0.0018

9.748

0.003

8.134

0.0019

98.28

0.02

109.745

0.016

100.48

0.02

624.2

0.3

294

2

294

2

null

4

P -1

-P 1

2

- C15 H19 N O2 -

- C30 H38 N2 O4 -

2

1

OS1062

Stájer, Géza; Virág, Miklós; Sillanpää, Reijo

Two isomers of 1,4a,5,7,8,9,9a,10,11,12a-decahydro-1,4-methanocyclopenta[b]pyrrolo[1,6a-a][3,1]benzoxazin-11-one

Acta Crystallographica Section C

1,999

55

8

1342

1344

10.1107/S0108270199005600

0.71069

MoKα

0.077

0.0429

null

0.1061

null

1.036

null

has coordinates

Stájer, Géza; Virág, Miklós; Sillanpää, Reijo Two isomers of 1,4a,5,7,8,9,9a,10,11,12a-decahydro-1,4-methanocyclopenta[b]pyrrolo[1,6a-a][3,1]benzoxazin-11-one Acta Crystallographica Section C 55(8) (1999) 1342-1344

301,791

2025-08-18

23:15:33

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2,008,823

18.5108

0.0018

6.644

0.004

21.2349

0.0015

90

null

105.69

0.006

90

null

2,514.3

1.5

294

2

294

2

null

4

C 1 2/c 1

-C 2yc

15

- C15 H19 N O2 -

- C120 H152 N8 O16 -

8

1

OS1062

Stájer, Géza; Virág, Miklós; Sillanpää, Reijo

Two isomers of 1,4a,5,7,8,9,9a,10,11,12a-decahydro-1,4-methanocyclopenta[b]pyrrolo[1,6a-a][3,1]benzoxazin-11-one

Acta Crystallographica Section C

1,999

55

8

1342

1344

10.1107/S0108270199005600

0.71069

MoKα

0.0785

0.0431

null

0.1179

null

1.026

null

has coordinates

Stájer, Géza; Virág, Miklós; Sillanpää, Reijo Two isomers of 1,4a,5,7,8,9,9a,10,11,12a-decahydro-1,4-methanocyclopenta[b]pyrrolo[1,6a-a][3,1]benzoxazin-11-one Acta Crystallographica Section C 55(8) (1999) 1342-1344

301,791

2025-08-18

23:15:33

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2,008,824

5.3724

0.0004

5.3724

0.0004

11.7932

0.0016

90

null

90

null

90

null

340.38

0.06

297

1

297

1

null

3

I 41/a :2

-I 4ad

88

none

Silver Perrhenate

- Ag O4 Re -

- Ag4 O16 Re4 -

4

0.25

QA0115

Dmitry Yu. Naumov; Alexander V. Virovets; Sergey V. Korenev; Alexander I. Gubanov

Silver perrhenate, AgReO~4~

Acta Crystallographica Section C

1,999

55

8

IUC9900097

10.1107/S0108270199099138

0.71073

MoKα

0.025

0.022

null

0.049

null

1.133

null

has coordinates,has Fobs

Dmitry Yu. Naumov; Alexander V. Virovets; Sergey V. Korenev; Alexander I. Gubanov Silver perrhenate, AgReO~4~ Acta Crystallographica Section C 55(8) (1999) IUC9900097

176,759

2020-10-21

18:00:00

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2,008,825

7.464

0.0016

7.85

0.0019

11.778

0.004

90

0.02

99.4

0.02

90

0.02

680.8

0.3

293

2

293

2

null

3

P 1 21/n 1

-P 2yn

14

[2-Amino-4,6-dimethyl-1,3,5-triazine]

- C5 H8 N4 -

- C20 H32 N16 -

4

1

QA0130

Becker, Michael; Jansen, Martin

2-Amino-4,6-dimethyl-1,3,5-triazine

Acta Crystallographica Section C

1,999

55

8

IUC9900094

10.1107/S0108270199099060

0.71079

MoKα

0.074

0.064

null

0.205

null

1.113

null

has coordinates

Becker, Michael; Jansen, Martin 2-Amino-4,6-dimethyl-1,3,5-triazine Acta Crystallographica Section C 55(8) (1999) IUC9900094

301,791

2025-08-18

23:15:33

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2,008,826

22.478

0.004

9.718

0.002

8.734

0.002

90

null

102.62

0.03

90

null

1,861.8

0.7

293

2

293

2

null

5

C 1 2/c 1

-C 2yc

15

Bis(N-ethyl-N-iso-propyldithiocarbamato)lead(II)

- C12 H24 N2 Pb S4 -

- C48 H96 N8 Pb4 S16 -

4

0.5

QA0132

Ng, Seik Weng

Space-group revision for bis(N-ethyl-N-isopropyldithiocarbamato)lead(II)

Acta Crystallographica Section C

1,999

55

8

IUC9900091

10.1107/S0108270199099102

0.71073

MoKα

0.053

0.032

null

0.084

null

1.069

null

has coordinates

Ng, Seik Weng Space-group revision for bis(N-ethyl-N-isopropyldithiocarbamato)lead(II) Acta Crystallographica Section C 55(8) (1999) IUC9900091

176,759

2020-10-21

18:00:00

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2,008,827

11.904

0.004

12.042

0.002

15.436

0.004

90

null

112.48

0.02

90

null

2,044.6

1

173

null

173

null

5

P 1 21/n 1

-P 2yn

14

- C12 H32 Br2 Li2 N4 -

- C48 H128 Br8 Li8 N16 -

4

1

QA0138

Henderson, Kenneth W.; Kennedy, Alan R.; Kerr, William J.; Moran, Paul H.

Redetermination of di-μ-bromo-bis[(N,N,N',N'-tetramethylethylenediamine-N,N')lithium]

Acta Crystallographica Section C

1,999

55

8

IUC9900078

10.1107/S0108270199099096

0.71069

MoKα

0.1066

0.0363

null

0.0486

0.0403

null

1.228

null

has coordinates

Henderson, Kenneth W.; Kennedy, Alan R.; Kerr, William J.; Moran, Paul H. Redetermination of di-μ-bromo-bis[(N,N,N',N'-tetramethylethylenediamine-N,N')lithium] Acta Crystallographica Section C 55(8) (1999) IUC9900078

301,791

2025-08-18

23:15:33

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2,008,828

11.473

0.001

7.28

0.001

12.546

0.001

90

0.001

91.02

0.001

90

0.001

1,047.72

0.19

298

null

3

P 1 21/c 1

-P 2ybc

14

- C11 H10 N4 -

- C44 H40 N16 -

4

1

QA0140

Achamlade, S.; El Hallaoui, A.; Hasnaoui, A.; Elachqar, A.; El Hajji, S.; Bellan, J.; Lopez, J.; Pierrot, M.

1-Propargyl-5-p-tolyl-1H-tetrazole and 2-propargyl-5-p-tolyl-1H-tetrazole

Acta Crystallographica Section C

1,999

55

8

IUC9900081

10.1107/S0108270199099059

0.71073

MoKα

null

0.05

null

0.078

null

1.072

null

has coordinates

Achamlade, S.; El Hallaoui, A.; Hasnaoui, A.; Elachqar, A.; El Hajji, S.; Bellan, J.; Lopez, J.; Pierrot, M. 1-Propargyl-5-p-tolyl-1H-tetrazole and 2-propargyl-5-p-tolyl-1H-tetrazole Acta Crystallographica Section C 55(8) (1999) IUC9900081

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/88/2008828.cif $ #-------------------------------------------------------------------...

4,321,906

11.73

0.001

18.64

0.002

13.331

0.002

90

null

93.74

0.01

90

null

2,908.6

0.6

130

null

130

null

by syntheses

6

I 1 2/m 1

-I 2y

12

- C52 H51 Cl4 Fe2 N13 O17 -

- C50 H48 Cl4 Fe2 N12 O17 -

- C100 H96 Cl8 Fe4 N24 O34 -

2

0.25

Gerard Roelfes; Marcel Lubben; Kui Chen; Raymond Y. N. Ho; Auke Meetsma; Susan Genseberger; Roel M. Hermant; Ronald Hage; Sanjay K. Mandal; Victor G. Young,; Yan Zang; Huub Kooijman; Anthony L. Spek; Lawrence Que,; Ben L. Feringa

Iron Chemistry of a Pentadentate Ligand That Generates a Metastable FeIII-OOH Intermediate

Inorganic Chemistry

1,999

38

1929

1936

10.1021/ic980983p

0.71073

MoKα

null

0.063

null

0.61

null

2.788

null

has coordinates

Gerard Roelfes; Marcel Lubben; Kui Chen; Raymond Y. N. Ho; Auke Meetsma; Susan Genseberger; Roel M. Hermant; Ronald Hage; Sanjay K. Mandal; Victor G. Young,; Yan Zang; Huub Kooijman; Anthony L. Spek; Lawrence Que,; Ben L. Feringa Iron Chemistry of a Pentadentate Ligand That Generates a Metastable FeIII-OOH Intermediate...

179,322

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:19:29 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179322 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/19/4321906.cif $ #-------------------------------------------------------------------...

2,008,829

6.8758

0.0004

13.7186

0.0007

22.187

0.001

90

0.01

94.666

0.003

90

0.01

2,085.88

0.19

298

null

3

P 1 21/c 1

-P 2ybc

14

- C11 H10 N4 -

- C88 H80 N32 -

8

2

QA0140

Achamlade, S.; El Hallaoui, A.; Hasnaoui, A.; Elachqar, A.; El Hajji, S.; Bellan, J.; Lopez, J.; Pierrot, M.

1-Propargyl-5-p-tolyl-1H-tetrazole and 2-propargyl-5-p-tolyl-1H-tetrazole

Acta Crystallographica Section C

1,999

55

8

IUC9900081

10.1107/S0108270199099059

0.71073

MoKα

null

0.047

null

0.064

null

1.235

null

has coordinates

Achamlade, S.; El Hallaoui, A.; Hasnaoui, A.; Elachqar, A.; El Hajji, S.; Bellan, J.; Lopez, J.; Pierrot, M. 1-Propargyl-5-p-tolyl-1H-tetrazole and 2-propargyl-5-p-tolyl-1H-tetrazole Acta Crystallographica Section C 55(8) (1999) IUC9900081

176,759

2020-10-21

18:00:00

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2,008,830

5.758

0.001

5.758

0.001

24.498

0.001

90

null

90

null

120

null

703.4

0.18

293

2

293

2

null

5

R -3 :H

-R 3

148

Dicalcium aluminium hydroxide bromide dihydrate

- Al Br Ca2 H10 O8 -

- Al Br Ca2 H9.9996 O8 -

- Al3 Br3 Ca6 H29.9988 O24 -

3

0.166667

QA0141

Rapin, Jean-Philippe; Mohamed Noor, Norlidah; François, Michel

The double layered hydroxide 3CaO^.^Al~2~O~3~^.^CaBr~2~^.^10H~2~O

Acta Crystallographica Section C

1,999

55

8

IUC9900092

10.1107/S0108270199099126

0.56087

AgKα

0.024

0.021

null

0.075

null

0.966

null

has coordinates

Rapin, Jean-Philippe; Mohamed Noor, Norlidah; François, Michel The double layered hydroxide 3CaO^.^Al~2~O~3~^.^CaBr~2~^.^10H~2~O Acta Crystallographica Section C 55(8) (1999) IUC9900092

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/88/2008830.cif $ #-------------------------------------------------------------------...

2,008,831

15.8643

0.0001

6.0887

0.0001

20.3014

0.0001

90

null

104.227

0.001

90

null

1,900.83

0.04

293

2

293

2

null

3

P 1 21/c 1

-P 2ybc

14

3,3'-bis-indolyl (4-methylphenyl) methane

- C24 H20 N2 -

- C96 H80 N8 -

4

1

QA0142

R. Krishna; D. Velmurugan; S. Shanmuga Sundara Raj; Hoong-Kun Fun; G. Babu; P. T. Perumal

Bis(indol-3-yl)(4-methylphenyl)methane

Acta Crystallographica Section C

1,999

55

8

IUC9900084

10.1107/S0108270199099047

0.71073

MoKα

0.105

0.066

null

0.2

null

1.081

null

has coordinates

R. Krishna; D. Velmurugan; S. Shanmuga Sundara Raj; Hoong-Kun Fun; G. Babu; P. T. Perumal Bis(indol-3-yl)(4-methylphenyl)methane Acta Crystallographica Section C 55(8) (1999) IUC9900084

301,791

2025-08-18

23:15:33

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/88/2008831.cif $ #-------------------------------------------------------------------...

4,321,905

11.3378

0.001

12.4612

0.0011

13.9045

0.0013

115.909

0.002

100.87

0.002

92.052

0.002

1,719.7

0.3

173

2

173

2

null

6

P -1

-P 1

2

- C19 H13 B Cu F4 N3 -

- C38 H26 B2 Cu2 F8 N6 -

- C76 H52 B4 Cu4 F16 N12 -

2

1

Susan Lopez; Steven W. Keller

New Linear Coordination Polymers Based on Copper(I) and 4,7-Phenanthroline: Structure Dependence on Solvent and Counteranion

Inorganic Chemistry

1,999

38

1883

1888

10.1021/ic980800z

0.7107

MoKα

0.0989

0.0587

null

0.1396

0.1235

null

1.044

1.133

null

has coordinates

Susan Lopez; Steven W. Keller New Linear Coordination Polymers Based on Copper(I) and 4,7-Phenanthroline: Structure Dependence on Solvent and Counteranion Inorganic Chemistry 38 (1999) 1883-1888

176,467

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $ #$Revision: 176467 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/19/4321905.cif $ #-------------------------------------------------------------------...

2,008,832

9.0236

0.0001

14.373

0.0001

19.7887

0.0001

90

null

92.899

0.001

90

null

2,563.23

0.04

223

2

223

2

null

5

P 1 21/n 1

-P 2yn

14

- C25 H22 I2 P2 Pt -

- C100 H88 I8 P8 Pt4 -

4

1

QA0143

Arendse, Malcolm J.; Anderson, Gordon K.; Rath, Nigam P.

Diiodo[methylenebis(diphenylphosphine)-P,P']platinum(II), [PtI~2~(dppm)]

Acta Crystallographica Section C

1,999

55

8

IUC9900083

10.1107/S0108270199099084

0.71073

MoKα

0.044

0.028

null

0.061

null

1.039

null

has coordinates,has Fobs

Arendse, Malcolm J.; Anderson, Gordon K.; Rath, Nigam P. Diiodo[methylenebis(diphenylphosphine)-P,P']platinum(II), [PtI~2~(dppm)] Acta Crystallographica Section C 55(8) (1999) IUC9900083

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/88/2008832.cif $ #-------------------------------------------------------------------...

2,008,833

13.77

0.003

9.491

0.002

8.205

0.002

90

null

98.28

0.03

90

null

1,061.1

0.4

293

2

293

2

null

4

C 1 2/c 1

-C 2yc

15

1,4-bis(4H-1,2,4-triazol-4-yl)benzene monohydrate

1,4-Phenylene-bis(1,3,4-triazole) monohydrate

- C10 H10 N6 O -

- C40 H40 N24 O4 -

4

0.5

QA0144

Cai, Hu; Hu, Huai-Ming; Chen, Wan-Zhi; Xu, Yan; You, Xiao-Zeng

1,4-Bis(4H-1,2,4-triazol-4-yl)benzene monohydrate

Acta Crystallographica Section C

1,999

55

8

IUC9900082

10.1107/S0108270199099035

0.71073

MoKα

0.086

0.052

null

0.135

null

0.122

null

0.992

null

1.094

null

has coordinates

Cai, Hu; Hu, Huai-Ming; Chen, Wan-Zhi; Xu, Yan; You, Xiao-Zeng 1,4-Bis(4H-1,2,4-triazol-4-yl)benzene monohydrate Acta Crystallographica Section C 55(8) (1999) IUC9900082

301,791

2025-08-18

23:15:33

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/88/2008833.cif $ #-------------------------------------------------------------------...

2,008,834

10.619

0.005

30.105

0.014

10.582

0.003

90

null

90

null

90

null

3,383

2

158

2

158

2

null

4

F d d 2

F 2 -2d

43

- C9 H9 N O3 -

- C144 H144 N16 O48 -

16

1

QA0145

Kovalevsky, A. Yu.

Redetermination of N-acetylanthranilic acid at 158K

Acta Crystallographica Section C

1,999

55

8

IUC9900093

10.1107/S0108270199099023

0.71073

MoKα

0.047

0.034

null

0.198

null

0.105

null

1.142

null

1.15

null

has coordinates,has Fobs

Kovalevsky, A. Yu. Redetermination of N-acetylanthranilic acid at 158K Acta Crystallographica Section C 55(8) (1999) IUC9900093

301,791

2025-08-18

23:15:33

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/88/2008834.cif $ #-------------------------------------------------------------------...

2,008,835

8.665

0.002

9.365

0.005

16.429

0.003

90

null

99.84

0.01

90

null

1,313.6

0.8

293

2

293

2

null

3

P 1 21/n 1

-P 2yn

14

- C15 H16 O3 -

- C60 H64 O12 -

4

1

QA0148

Thuéry, Pierre; Nierlich, Martine; Roux, Marie-Claude; Wartski, Lya

(3S,4R)-4-Benzoyl-3-(2-methyl-2-propenyl)tetrahydrofuran-2-one

Acta Crystallographica Section C

1,999

55

8

IUC9900096

10.1107/S0108270199099011

0.71073

MoKα

0.084

0.047

null

0.155

null

0.123

null

1.072

null

1.175

null

has coordinates,has Fobs

Thuéry, Pierre; Nierlich, Martine; Roux, Marie-Claude; Wartski, Lya (3S,4R)-4-Benzoyl-3-(2-methyl-2-propenyl)tetrahydrofuran-2-one Acta Crystallographica Section C 55(8) (1999) IUC9900096

301,791

2025-08-18

23:15:33

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/88/2008835.cif $ #-------------------------------------------------------------------...

2,008,836

10.5481

0.0005

8.9867

0.0004

18.5961

0.0009

90

null

94.426

0.001

90

null

1,757.52

0.14

213

2

213

2

null

5

P 1 21/c 1

-P 2ybc

14

1-methylhydroxy-(cyclopentadienyl (cyclopentadienyl)iron)-1,2-dicarba-closo-dodecaborane

- C13 H22 B10 Fe O -

- C13.005 H22 B10 Fe O -

- C52.02 H88 B40 Fe4 O4 -

4

1

QB0085

Crundwell, Guy; Arellanes, Chuauthemoc; Gomez, Frank; Kantardjieff, Katherine

1-[Ferrocenyl(hydroxy)methyl]-1,2-dicarba-closo-dodecaborane

Acta Crystallographica Section C

1,999

55

8

IUC9900087

10.1107/S0108270199099072

0.71073

MoKα

0.057

0.041

null

0.093

null

1.02

null

has coordinates,has disorder

Crundwell, Guy; Arellanes, Chuauthemoc; Gomez, Frank; Kantardjieff, Katherine 1-[Ferrocenyl(hydroxy)methyl]-1,2-dicarba-closo-dodecaborane Acta Crystallographica Section C 55(8) (1999) IUC9900087

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/88/2008836.cif $ #-------------------------------------------------------------------...

4,321,904

11.748

0.001

12.575

0.0011

14.139

0.0013

115.7

0.002

98.81

0.002

96.02

0.002

1,825.2

0.3

173

2

173

2

null

6

P -1

-P 1

2

- C38 H26 Cu2 F12 N6 P2 -

- C76 H52 Cu4 F24 N12 P4 -

2

1

Susan Lopez; Steven W. Keller

New Linear Coordination Polymers Based on Copper(I) and 4,7-Phenanthroline: Structure Dependence on Solvent and Counteranion

Inorganic Chemistry

1,999

38

1883

1888

10.1021/ic980800z

0.7107

MoKα

0.1117

0.0766

null

0.1777

0.1984

null

1.026

null

has coordinates

Susan Lopez; Steven W. Keller New Linear Coordination Polymers Based on Copper(I) and 4,7-Phenanthroline: Structure Dependence on Solvent and Counteranion Inorganic Chemistry 38 (1999) 1883-1888

179,322

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:19:29 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179322 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/19/4321904.cif $ #-------------------------------------------------------------------...

2,008,837

19.1266

0.0019

8.2451

0.0008

10.0462

0.001

90

null

90

null

90

null

1,584.3

0.3

173

2

173

2

null

4

I b a 2

I 2 -2c

45

d,l-2,4-bis(phenylthio)-3-pentanone

- C17 H18 O S2 -

- C68 H72 O4 S8 -

4

0.5

QB0086

Crundwell, Guy; Kessler, Jacqueline; Kaller, Matt; McCoy, Mike; Bayne, Christopher; Hardinger, Steven A.; Kantardjieff, Katherine

dl-2,4-Bis(phenylthio)pentan-3-one and dl-2,4-bis(2,6-dimethylphenylthio)pentan-3-one at 173K

Acta Crystallographica Section C

1,999

55

8

IUC9900088

10.1107/S010827019909900X

0.71073

MoKα

0.097

0.058

null

0.136

null

0.948

null

has coordinates,has Fobs

Crundwell, Guy; Kessler, Jacqueline; Kaller, Matt; McCoy, Mike; Bayne, Christopher; Hardinger, Steven A.; Kantardjieff, Katherine dl-2,4-Bis(phenylthio)pentan-3-one and dl-2,4-bis(2,6-dimethylphenylthio)pentan-3-one at 173K Acta Crystallographica Section C 55(8) (1999) IUC9900088

301,791

2025-08-18

23:15:33

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/88/2008837.cif $ #-------------------------------------------------------------------...

2,008,838

8.351

0.0013

14.027

0.002

16.201

0.003

90

null

90

0.003

90

null

1,897.8

0.5

173

2

173

2

null

4

P 1 21/n 1

-P 2yn

14

d,l-2,4-bis(2',6'dimethylphenylthio)-3-pentanone

- C21 H26 O S2 -

- C84 H104 O4 S8 -

4

1

QB0086

Crundwell, Guy; Kessler, Jacqueline; Kaller, Matt; McCoy, Mike; Bayne, Christopher; Hardinger, Steven A.; Kantardjieff, Katherine

dl-2,4-Bis(phenylthio)pentan-3-one and dl-2,4-bis(2,6-dimethylphenylthio)pentan-3-one at 173K

Acta Crystallographica Section C

1,999

55

8

IUC9900088

10.1107/S010827019909900X

0.71073

MoKα

0.078

0.048

null

0.101

null

1

null

has coordinates,has Fobs

Crundwell, Guy; Kessler, Jacqueline; Kaller, Matt; McCoy, Mike; Bayne, Christopher; Hardinger, Steven A.; Kantardjieff, Katherine dl-2,4-Bis(phenylthio)pentan-3-one and dl-2,4-bis(2,6-dimethylphenylthio)pentan-3-one at 173K Acta Crystallographica Section C 55(8) (1999) IUC9900088

301,791

2025-08-18

23:15:33

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/88/2008838.cif $ #-------------------------------------------------------------------...

2,008,839

13.6707

0.001

10.4841

0.001

13.9479

0.0012

90

null

115.943

0.006

90

null

1,797.6

0.3

293

2

293

2

null

5

P 1 21/n 1

-P 2yn

14

2-(4-carboethoxy-2,6-dichlorophenylimino)-1-isobutyrylimidazolidine

- C16 H19 Cl2 N3 O3 -

- C64 H76 Cl8 N12 O12 -

4

1

QB0092

E. M. Elssfah; K. Chinnakali; H.-K. Fun; I. W. Mathison; E. K. Gan; M. Zubaid; T. W. Sam; K. S. Khoo

Substituted clonidine derivatives. II. Ethyl 3,5-dichloro-4-(1-isobutyrylimidazolidin-2-ylideneamino)benzoate and ethyl 3,5-dichloro-4-(1,3-diisobutyrylimidazolidin-2-ylideneamino)benzoate

Acta Crystallographica Section C

1,999

55

8

IUC9900085

10.1107/S0108270199098996

0.71073

MoKα

0.059

0.039

null

0.11

null

0.95

null

has coordinates

E. M. Elssfah; K. Chinnakali; H.-K. Fun; I. W. Mathison; E. K. Gan; M. Zubaid; T. W. Sam; K. S. Khoo Substituted clonidine derivatives. II. Ethyl 3,5-dichloro-4-(1-isobutyrylimidazolidin-2-ylideneamino)benzoate and ethyl 3,5-dichloro-4-(1,3-diisobutyrylimidazolidin-2-ylideneamino)benzoate Acta Crystallographica Section...

301,791

2025-08-18

23:15:33

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/88/2008839.cif $ #-------------------------------------------------------------------...

4,321,903

8.7677

0.0005

11.514

0.0007

14.8858

0.0009

90

null

96.548

0.001

90

null

1,492.94

0.15

293

2

293

2

null

6

P 1 21/c 1

-P 2ybc

14

- C14 H11 B Cu F4 N3 -

- C56 H44 B4 Cu4 F16 N12 -

4

1

Susan Lopez; Steven W. Keller

New Linear Coordination Polymers Based on Copper(I) and 4,7-Phenanthroline: Structure Dependence on Solvent and Counteranion

Inorganic Chemistry

1,999

38

1883

1888

10.1021/ic980800z

0.7107

MoKα

0.0465

0.0353

null

0.0942

0.0887

null

1.003

1.05

null

has coordinates

Susan Lopez; Steven W. Keller New Linear Coordination Polymers Based on Copper(I) and 4,7-Phenanthroline: Structure Dependence on Solvent and Counteranion Inorganic Chemistry 38 (1999) 1883-1888

176,467

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $ #$Revision: 176467 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/19/4321903.cif $ #-------------------------------------------------------------------...

2,008,840

42.7786

0.0003

9.2896

0.0002

22.7485

0.0003

90

null

104.407

0.001

90

null

8,755.9

0.2

293

2

293

2

null

5

C 1 2/c 1

-C 2yc

15

2-(4-carboethoxy-2,6-dichlorophenylimino)-1,3-diisobutyrylimidazolidine

- C20 H25 Cl2 N3 O4 -

- C320 H400 Cl32 N48 O64 -

16

2

QB0092

E. M. Elssfah; K. Chinnakali; H.-K. Fun; I. W. Mathison; E. K. Gan; M. Zubaid; T. W. Sam; K. S. Khoo

Substituted clonidine derivatives. II. Ethyl 3,5-dichloro-4-(1-isobutyrylimidazolidin-2-ylideneamino)benzoate and ethyl 3,5-dichloro-4-(1,3-diisobutyrylimidazolidin-2-ylideneamino)benzoate

Acta Crystallographica Section C

1,999

55

8

IUC9900085

10.1107/S0108270199098996

0.71073

MoKα

0.199

0.083

null

0.213

null

1.04

null

has coordinates

E. M. Elssfah; K. Chinnakali; H.-K. Fun; I. W. Mathison; E. K. Gan; M. Zubaid; T. W. Sam; K. S. Khoo Substituted clonidine derivatives. II. Ethyl 3,5-dichloro-4-(1-isobutyrylimidazolidin-2-ylideneamino)benzoate and ethyl 3,5-dichloro-4-(1,3-diisobutyrylimidazolidin-2-ylideneamino)benzoate Acta Crystallographica Section...

301,791

2025-08-18

23:15:33

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/88/2008840.cif $ #-------------------------------------------------------------------...

2,008,841

13.73

0.0001

8.54

0.0001

19.741

0.0001

90

null

96.363

0.001

90

null

2,300.46

0.03

293

2

293

2

null

5

P 1 21/n 1

-P 2yn

14

2-(4-hydroxymethyl-2,6-dichlorophenylimino)imidazolidine

- C10 H11 Cl2 N3 O -

- C80 H88 Cl16 N24 O8 -

8

2

QB0093

E. M. Elssfah; K. Chinnakali; H.-K. Fun; I. W. Mathison; E. K. Gan; M. Zubaid; T. W. Sam; K. S. Khoo

Substituted clonidine derivatives. III. 3,5-Dichloro-4-(imidazolidin-2-ylideneamino)benzyl alcohol and 3,5-dichloro-4-(1,3-diisobutyrylimidazolidin-2-ylideneamino)benzyl isobutyrate

Acta Crystallographica Section C

1,999

55

8

IUC9900086

10.1107/S0108270199098984

0.71073

MoKα

0.049

0.036

null

0.094

0.085

null

1.05

1.06

null

has coordinates

E. M. Elssfah; K. Chinnakali; H.-K. Fun; I. W. Mathison; E. K. Gan; M. Zubaid; T. W. Sam; K. S. Khoo Substituted clonidine derivatives. III. 3,5-Dichloro-4-(imidazolidin-2-ylideneamino)benzyl alcohol and 3,5-dichloro-4-(1,3-diisobutyrylimidazolidin-2-ylideneamino)benzyl isobutyrate Acta Crystallographica Section C 55(8...

301,791

2025-08-18

23:15:33

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/88/2008841.cif $ #-------------------------------------------------------------------...

4,321,902

24.075

0.01

21.143

0.003

15.981

0.003

90

null

90

null

90

null

8,135

4

120

2

120

2

null

see paper

7

P 21 21 21

P 2ac 2ab

19

difluoromethylcobalamin

- C63 H123 Co F2 N13 O31 P -

- C63 H121 Co F2 N13 O30 P -

- C252 H484 Co4 F8 N52 O120 P4 -

4

1

Trixie Wagner; Carol E. Afshar; H. L. Carrell; Jenny P. Glusker; Ulli Englert; Harry P. C. Hogenkamp

Difluoromethylcobalamin: Structural Aspects of an Old Tree with a New Branch

Inorganic Chemistry

1,999

38

1785

1794

10.1021/ic980751q

0.71073

MoKα

0.1519

0.0716

null

0.1509

0.1944

null

0.904

null

has coordinates

Trixie Wagner; Carol E. Afshar; H. L. Carrell; Jenny P. Glusker; Ulli Englert; Harry P. C. Hogenkamp Difluoromethylcobalamin: Structural Aspects of an Old Tree with a New Branch Inorganic Chemistry 38 (1999) 1785-1794

192,276

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-02-19 02:24:13 +0200 (Sun, 19 Feb 2017) $ #$Revision: 192276 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/19/4321902.cif $ #-------------------------------------------------------------------...

2,008,842

12.0244

0.0001

21.8128

0.0001

9.5663

0.0001

90

null

101.403

0.001

90

null

2,459.58

0.04

293

2

293

2

null

5

P 1 21/c 1

-P 2ybc

14

2-(4-isobutyryloxymethyl-2,6-dichlorophenylimino)-1,3-diisobutyrylimidazolidine

- C22 H29 Cl2 N3 O4 -

- C88 H116 Cl8 N12 O16 -

4

1

QB0093

E. M. Elssfah; K. Chinnakali; H.-K. Fun; I. W. Mathison; E. K. Gan; M. Zubaid; T. W. Sam; K. S. Khoo

Substituted clonidine derivatives. III. 3,5-Dichloro-4-(imidazolidin-2-ylideneamino)benzyl alcohol and 3,5-dichloro-4-(1,3-diisobutyrylimidazolidin-2-ylideneamino)benzyl isobutyrate

Acta Crystallographica Section C

1,999

55

8

IUC9900086

10.1107/S0108270199098984

0.71073

MoKα

0.126

0.075

null

0.233

null

0.97

null

has coordinates

E. M. Elssfah; K. Chinnakali; H.-K. Fun; I. W. Mathison; E. K. Gan; M. Zubaid; T. W. Sam; K. S. Khoo Substituted clonidine derivatives. III. 3,5-Dichloro-4-(imidazolidin-2-ylideneamino)benzyl alcohol and 3,5-dichloro-4-(1,3-diisobutyrylimidazolidin-2-ylideneamino)benzyl isobutyrate Acta Crystallographica Section C 55(8...

301,791

2025-08-18

23:15:33

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/88/2008842.cif $ #-------------------------------------------------------------------...

2,008,843

8.301

0.002

9.287

0.002

6.791

0.002

98.67

0.02

100.73

0.02

70.49

0.02

482.6

0.2

150

2

150

2

null

3

P -1

-P 1

2

- C22 H34 O4 -

1

0.5

QB0097

Anthony R. J. Genge; Raymond J. Boffey; Jeremy D. Kilburn

(3S,3aR,6S,7aR)-3-{2-[(3R,3aS,6R,7aS)-6-Hydroxy-6-methyl-5-methyleneperhydrobenzo[b]furan-3-yl]ethyl}-6-methyl-5-methyleneperhydrobenzo[b]furan-6-ol

Acta Crystallographica Section C

1,999

55

8

IUC9900089

10.1107/S0108270199098972

0.71073

MoKα

0.047

0.036

null

0.105

null

1.063

null

has coordinates,has Fobs

Anthony R. J. Genge; Raymond J. Boffey; Jeremy D. Kilburn (3S,3aR,6S,7aR)-3-{2-[(3R,3aS,6R,7aS)-6-Hydroxy-6-methyl-5-methyleneperhydrobenzo[b]furan-3-yl]ethyl}-6-methyl-5-methyleneperhydrobenzo[b]furan-6-ol Acta Crystallographica Section C 55(8) (199...

301,791

2025-08-18

23:15:33

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/88/2008843.cif $ #-------------------------------------------------------------------...

4,321,901

4.2606

0.0006

4.7944

0.0007

9.4429

0.0013

90

null

90

null

90

null

192.89

0.05

293

2

293

2

null

3

P m m n :2

-P 2ab 2a

59

BaCrS2

Barium Chromium Disulfide

- Ba Cr S2 -

- Ba2 Cr2 S4 -

2

0.25

Omar Fuentes; Chong Zheng; Catherine E. Check; Jianhua Zhang; Gerardo Chacon

Synthesis and Structural Analysis of BaCrS2

Inorganic Chemistry

1,999

38

1889

1893

10.1021/ic980609p

0.71073

MoKα

0.0381

0.0335

null

0.0831

0.0808

null

1.063

1.101

null

has coordinates

Omar Fuentes; Chong Zheng; Catherine E. Check; Jianhua Zhang; Gerardo Chacon Synthesis and Structural Analysis of BaCrS2 Inorganic Chemistry 38 (1999) 1889-1893

179,322

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:19:29 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179322 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/19/4321901.cif $ #-------------------------------------------------------------------...

2,008,844

6.781

0.001

6.781

0.001

18.835

0.004

90

null

90

null

90

null

866.1

0.3

293

2

293

2

null

3

I -4 2 d

I -4 2bw

122

nickel arsenate

- As3 Ni4.35 O12 -

- As3 Ni4.356 O12 -

- As12 Ni17.424 O48 -

4

0.25

QB0098

Jacques Barbier

Tetragonal Ni~4.35~As~3~O~11.7~(OH)~0.3~

Acta Crystallographica Section C

1,999

55

8

IUC9900080

10.1107/S0108270199099114

0.56086

AgKα

0.041

0.029

null

0.055

0.051

null

0.896

0.954

null

has coordinates

Jacques Barbier Tetragonal Ni~4.35~As~3~O~11.7~(OH)~0.3~ Acta Crystallographica Section C 55(8) (1999) IUC9900080

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/88/2008844.cif $ #-------------------------------------------------------------------...

2,008,845

7.844

0.003

7.035

0.003

17.696

0.007

90

null

100.6

0.03

90

null

959.8

0.7

296

2

296

2

null

5

P 1 21 1

P 2yb

4

- C18 H24 N2 O4 S -

- C36 H48 N4 O8 S2 -

2

1

QB0102

Wei Zhu; Guishu Yang; Kaibai Yu

(R~S~)-(1R,2S,3R)-2-Methoxy-1,7,7-trimethyl-N-(4-nitrobenzylidene)bicyclo[2.2.1]heptane-3-sulfinamide

Acta Crystallographica Section C

1,999

55

8

IUC9900090

10.1107/S0108270199098960

0.71073

MoKα

0.105

0.041

null

0.088

null

0.782

null

has coordinates,has Fobs

Wei Zhu; Guishu Yang; Kaibai Yu (R~S~)-(1R,2S,3R)-2-Methoxy-1,7,7-trimethyl-N-(4-nitrobenzylidene)bicyclo[2.2.1]heptane-3-sulfinamide Acta Crystallographica Section C 55(8) (1999) IUC9900090

301,791

2025-08-18

23:15:33

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/88/2008845.cif $ #-------------------------------------------------------------------...

2,008,846

8.3947

0.0004

12.015

0.0005

12.8347

0.0006

90

null

101.527

0.001

90

null

1,268.43

0.1

120

null

120

null

3

P 1 21/n 1

-P 2yn

14

Kemp's acid

cis,cis-1,3,5-trimethylcyclohexane-1,3,5-tricarboxylic acid

- C12 H18 O6 -

- C48 H72 O24 -

4

1

QB0103

Alan Hazell; Hans Toftlund

Kemp's acid at 120K

Acta Crystallographica Section C

1,999

55

8

IUC9900079

10.1107/S0108270199098959

0.71073

MoKα

null

0.031

null

0.04

null

1.505

null

has coordinates

Alan Hazell; Hans Toftlund Kemp's acid at 120K Acta Crystallographica Section C 55(8) (1999) IUC9900079

301,791

2025-08-18

23:15:33

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/88/2008846.cif $ #-------------------------------------------------------------------...

2,008,847

15.6977

0.0001

8.7328

0.0001

21.2064

0.0005

90

null

90

null

90

null

2,907.08

0.08

293

2

293

2

null

4

P b c a

-P 2ac 2ab

61

- C17 H15 N3 O2 -

- C136 H120 N24 O16 -

8

1

QB0104

Xiao-Feng Chen; Xu-Hui Zhu; Jagadese J. Vittal; Xiao-Zeng You

5-[(2-Ethoxyphenyl)diazenyl]quinolin-8-ol

Acta Crystallographica Section C

1,999

55

8

IUC9900095

10.1107/S0108270199098947

0.71073

MoKα

0.092

0.068

null

0.136

null

1.225

null

has coordinates,has Fobs

Xiao-Feng Chen; Xu-Hui Zhu; Jagadese J. Vittal; Xiao-Zeng You 5-[(2-Ethoxyphenyl)diazenyl]quinolin-8-ol Acta Crystallographica Section C 55(8) (1999) IUC9900095

301,791

2025-08-18

23:15:33

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/88/2008847.cif $ #-------------------------------------------------------------------...

2,008,848

6.794

0.0005

6.794

0.0005

11.9557

0.0011

90

null

90

null

90

null

551.86

0.08

293

2

293

2

null

4

P 41 21 2

P 4abw 2nw

92

Copper(II)-cyclopropane-1,1-carboxylate

- C5 H4 Cu O4 -

- C20 H16 Cu4 O16 -

4

0.5

SK1210

Petri, Alke; Schwarz, Thomas; Schilling, Joachim; Lentz, Axel

Polymeric (cyclopropane-1,1-dicarboxylato)copper(II)

Acta Crystallographica Section C

1,999

55

8

1247

1248

10.1107/S0108270199005867

0.71073

MoKα

0.0195

0.0184

null

0.0477

null

1.095

null

has coordinates,has Fobs

Petri, Alke; Schwarz, Thomas; Schilling, Joachim; Lentz, Axel Polymeric (cyclopropane-1,1-dicarboxylato)copper(II) Acta Crystallographica Section C 55(8) (1999) 1247-1248

176,435

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/88/2008848.cif $ #-------------------------------------------------------------------...

2,008,849

10.293

0.002

11.909

0.002

10.252

0.002

90

null

90

null

90

null

1,256.7

0.4

293

2

293

2

null

3

P n m a

-P 2ac 2n

62

tricαesium niobium tetraselenide

- Cs3 Nb Se4 -

- Cs12 Nb4 Se16 -

4

0.5

SK1211

Krause, Oliver; Näther, Christian; Bensch, Wolfgang

Cs~3~NbSe~4~

Acta Crystallographica Section C

1,999

55

8

1197

1199

10.1107/S0108270199004941

0.71073

MoKα

0.057

0.036

null

0.095

null

1.056

null

has coordinates

Krause, Oliver; Näther, Christian; Bensch, Wolfgang Cs~3~NbSe~4~ Acta Crystallographica Section C 55(8) (1999) 1197-1199

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/88/2008849.cif $ #-------------------------------------------------------------------...

2,008,850

19.784

0.009

11.101

0.009

12.384

0.004

90

null

106.59

0.02

90

null

2,607

3

293

2

293

2

null

4

C 1 2/c 1

-C 2yc

15

bis(N,N'-diphenylguanidinium) oxalate

- C28 H28 N6 O4 -

- C112 H112 N24 O16 -

4

0.5

SK1285

Paixão, J. A.; Matos Beja, A.; Ramos Silva, M.; Alte da Veiga, L.

Bis(N,N'-diphenylguanidinium) oxalate

Acta Crystallographica Section C

1,999

55

8

1290

1292

10.1107/S010827019900493X

0.71073

MoKα

0.087

0.035

null

0.095

null

1.017

null

has coordinates,has Fobs

Paixão, J. A.; Matos Beja, A.; Ramos Silva, M.; Alte da Veiga, L. Bis(N,N'-diphenylguanidinium) oxalate Acta Crystallographica Section C 55(8) (1999) 1290-1292

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/88/2008850.cif $ #-------------------------------------------------------------------...

2,008,851

29.277

0.002

8.9805

0.0008

9.8486

0.0006

90

null

106.248

0.0001

90

null

2,486

0.3

293

2

293

2

null

4

C 1 2 1

C 2y

5

6α,7β-dihydroxy-N-cyclohexyl-vouacapan-17β-amide

- C26 H39 N O4 -

- C104 H156 N4 O16 -

4

1

SX1054

Branco, Marcelo Cardoso; Gambardella, Maria Teresa do P.; Ruggiero, Silvana Guilardi; Maltha, Celia Regina A.; Stefani, Guglielmo Marconi; Pilo-Veloso, Dorila

N-Cyclohexyl-6α,7β-dihydroxyvouacapan-17β-carboxamide

Acta Crystallographica Section C

1,999

55

8

1297

1299

10.1107/S0108270198017466

0.71073

MoKα

0.074

0.047

null

0.133

0.107

null

1.145

1.059

null

has coordinates

Branco, Marcelo Cardoso; Gambardella, Maria Teresa do P.; Ruggiero, Silvana Guilardi; Maltha, Celia Regina A.; Stefani, Guglielmo Marconi; Pilo-Veloso, Dorila N-Cyclohexyl-6α,7β-dihydroxyvouacapan-17β-carboxamide Acta Crystallographica Section C 55(8) (1999) 1297-1299

301,791

2025-08-18

23:15:33

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/88/2008851.cif $ #-------------------------------------------------------------------...

4,321,900

8.832

0.002

21.124

0.005

14.923

0.004

90

0

98.23

0.03

90

0

2,755.5

1.2

230

0.2

230

0.2

null

6

P 1 21/c 1

-P 2ybc

14

- C23 H49 N Os P2 S -

- C92 H196 N4 Os4 P8 S4 -

4

1

Amaya Castillo; Guada Barea; Miguel A. Esteruelas; Fernando J. Lahoz; Agustí LLedós; Feliu Maseras; Javier Modrego; Enrique Oñate; Luis A. Oro; Natividad Ruiz; Eduardo Sola

Thermally Activated Site Exchange and Quantum Exchange Coupling Processes in Unsymmetrical Trihydride Osmium Compounds

Inorganic Chemistry

1,999

38

1814

1824

10.1021/ic9804061

0.71073

MoKα

0.0466

0.0301

null

0.0452

0.0328

null

1.0892

null

has coordinates

Amaya Castillo; Guada Barea; Miguel A. Esteruelas; Fernando J. Lahoz; Agustí LLedós; Feliu Maseras; Javier Modrego; Enrique Oñate; Luis A. Oro; Natividad Ruiz; Eduardo Sola Thermally Activated Site Exchange and Quantum Exchange Coupling Processes in Unsymmetrical Trihydride Osmium Compounds Inorganic Chemistry 38 (1999...

179,322

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:19:29 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179322 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/19/4321900.cif $ #-------------------------------------------------------------------...

2,008,852

7.935

0.007

8.656

0.003

9.389

0.003

90

null

97.87

0.04

90

null

638.8

0.6

293

2

293

2

null

3

P 1 21 1

P 2yb

4

(1S,2S,5S,6S)-6-methyl-5,6-dihydroxycyclohexe-3-en-1,2-diyl diacetate

- C11 H16 O6 -

- C22 H32 O12 -

2

1

SX1084

Silvia Russi; Leopoldo Suescun; Alvaro W. Mombrú; Helena Pardo; Raúl A. Mariezcurrena; Margarita Brovetto; Gustavo Seoane

(1S,2S,5S,6S)-5,6-Dihydroxy-6-methylcyclohex-3-en-1,2-diyl diacetate

Acta Crystallographica Section C

1,999

55

8

1347

1349

10.1107/S0108270199004953

0.71069

MoKα

0.06

0.047

null

0.145

null

1.041

null

has coordinates,has Fobs

Silvia Russi; Leopoldo Suescun; Alvaro W. Mombrú; Helena Pardo; Raúl A. Mariezcurrena; Margarita Brovetto; Gustavo Seoane (1S,2S,5S,6S)-5,6-Dihydroxy-6-methylcyclohex-3-en-1,2-diyl diacetate Acta Crystallographica Section C 55(8) (1999) 1347-1349

301,791

2025-08-18

23:15:33

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/88/2008852.cif $ #-------------------------------------------------------------------...

2,008,853

9.556

0.003

11.007

0.003

12.713

0.004

111.67

0.02

107.02

0.02

99.25

0.02

1,132.6

0.7

158

2

158

2

null

4

P 1

1

(1-D-1,2:5,6-di-O-isopropylidene-3-O-(diphenylphosphinoyl)-chiro-inositol

- C24 H29 O7 P -

- C48 H58 O14 P2 -

2

TA1226

Falshaw, Andrew; Gainsford, Graeme J.; Lensink, Cornelis

1-D-1,2:5,6-Di-O-isopropylidene-3-O-(diphenylphosphinoyl)-chiro-inositol, a hydrogen-bonded dimeric structure

Acta Crystallographica Section C

1,999

55

8

1353

1355

10.1107/S0108270199006769

0.71073

MoKα

0.097

0.068

null

0.181

0.161

null

0.998

1.044

null

has coordinates

Falshaw, Andrew; Gainsford, Graeme J.; Lensink, Cornelis 1-D-1,2:5,6-Di-O-isopropylidene-3-O-(diphenylphosphinoyl)-chiro-inositol, a hydrogen-bonded dimeric structure Acta Crystallographica Section C 55(8) (1999) 1353-1355

301,791

2025-08-18

23:15:33

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/88/2008853.cif $ #-------------------------------------------------------------------...

2,008,854

7.927

0.003

6.159

0.002

22.47

0.01

90

null

97.76

0.04

90

null

1,087

0.7

300

2

300

2

null

5

P 1 21/c 1

-P 2ybc

14

Bis(1-methylimidazole-N^3^)bis(salicylato-O,O')copper(II)

- C22 H22 Cu N4 O6 -

- C44 H44 Cu2 N8 O12 -

2

0.5

TA1230

Jian, Fangfang; Wang, Zuoxiang; Wei, Chen; Bai, Zhiping; You, Xiaozeng

Bis(1-methylimidazole-N^3^)bis(salicylato-O,O')copper(II)

Acta Crystallographica Section C

1,999

55

8

1228

1230

10.1107/S0108270199002590

0.71073

MoKα

0.055

0.041

null

0.107

0.101

null

1.054

1.143

null

has coordinates

Jian, Fangfang; Wang, Zuoxiang; Wei, Chen; Bai, Zhiping; You, Xiaozeng Bis(1-methylimidazole-N^3^)bis(salicylato-O,O')copper(II) Acta Crystallographica Section C 55(8) (1999) 1228-1230

301,791

2025-08-18

23:15:33

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/88/2008854.cif $ #-------------------------------------------------------------------...

2,008,855

13.731

0.0006

9.1357

0.0005

10.8227

0.0005

90

null

98.852

0.004

90

null

1,341.45

0.11

293

2

293

2

null

4

P 1 21/c 1

-P 2ybc

14

N,N-bis(N-methylene-2-pyrrolidone)glycine

- C12 H19 N3 O4 -

- C48 H76 N12 O16 -

4

1

TA1237

Xiang-Jun Zheng; Zhe-Ming Wang; Yan-Qia Wang; Lin-Pei Jin; Jian-Quan Guo; Chun-Hua Yan

N,N-Bis(2-oxopyrrolidin-1-ylmethyl)glycine

Acta Crystallographica Section C

1,999

55

8

1333

1335

10.1107/S0108270199005259

0.71073

MoKα

0.0784

0.0445

null

0.1193

null

1.044

null

has coordinates,has Fobs

Xiang-Jun Zheng; Zhe-Ming Wang; Yan-Qia Wang; Lin-Pei Jin; Jian-Quan Guo; Chun-Hua Yan N,N-Bis(2-oxopyrrolidin-1-ylmethyl)glycine Acta Crystallographica Section C 55(8) (1999) 1333-1335

301,791

2025-08-18

23:15:33

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/88/2008855.cif $ #-------------------------------------------------------------------...

2,008,856

9.06

0.005

11.4157

0.0012

14.058

0.004

90

0.02

92.29

0.03

90

0.02

1,452.8

0.9

293

2

293

2

null

7

P 1 21/n 1

-P 2yn

14

Bis(hexamethylphosphoramide)tetrachlorodigallium(II)

- C12 H36 Cl4 Ga2 N6 O2 P2 -

- C24 H72 Cl8 Ga4 N12 O4 P4 -

2

0.5

TA1238

Rickard, Clifton E. F.; Taylor, Michael J.; Kilner, Melvin

Tetrachlorobis(hexamethylphosphoramide-O)digallium(II)(Ga—Ga)

Acta Crystallographica Section C

1,999

55

8

1215

1216

10.1107/S0108270199005843

0.71069

MoKα

0.142

0.05

null

0.117

null

0.961

null

has coordinates,has Fobs

Rickard, Clifton E. F.; Taylor, Michael J.; Kilner, Melvin Tetrachlorobis(hexamethylphosphoramide-O)digallium(II)(Ga—Ga) Acta Crystallographica Section C 55(8) (1999) 1215-1216

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/88/2008856.cif $ #-------------------------------------------------------------------...

2,008,857

11.0912

0.0004

11.0912

0.0004

4.4414

0.0004

90

null

90

null

90

null

546.36

0.06

293

2

293

2

null

5

I -4

82

Zinc Mercury Thiocyanate

- C4 Hg N4 S4 Zn -

- C8 Hg2 N8 S8 Zn2 -

2

0.25

TA1243

Xu, Dong; Yu, Wen-Tao; Wang, Xin-Qiang; Yuan, Duo-Rong; Lu, Meng-Kai; Yang, Ping; Guo, Shi-Yi; Meng, Fan-Qing; Jiang, Min-Hua

Zinc mercury thiocyanate (ZMTC)

Acta Crystallographica Section C

1,999

55

8

1203

1205

10.1107/S0108270199005983

0.71073

MoKα

0.034

0.033

null

0.095

null

1.115

null

has coordinates

Xu, Dong; Yu, Wen-Tao; Wang, Xin-Qiang; Yuan, Duo-Rong; Lu, Meng-Kai; Yang, Ping; Guo, Shi-Yi; Meng, Fan-Qing; Jiang, Min-Hua Zinc mercury thiocyanate (ZMTC) Acta Crystallographica Section C 55(8) (1999) 1203-1205

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/88/2008857.cif $ #-------------------------------------------------------------------...

4,321,899

10.749

0.003

10.749

0.003

19.872

0.004

90

null

90

null

120

null

1,988.4

0.9

293

2

293

2

null

synthesized

6

P 31

144

bis(4,5-diazafluorene-9-one thiosemicarbazone)palladium(II) trihydrate

- C24 H22 N10 O3 Pd S2 -

- C72 H66 N30 O9 Pd3 S6 -

3

1

Ze-Hua Liu; Chun-Ying Duan; Jun Hu; Xiao-Zeng You

Design, Synthesis, and Crystal Structure of a cis-Configuration N2S2-Coordinated Palladium(II) Complex: Role of the Intra- and Intermolecular Aromatic-Ring Stacking Interaction

Inorganic Chemistry

1,999

38

1719

1724

10.1021/ic9711731

0.71073

MoKα

0.0837

0.0602

null

0.147

0.1339

null

1.09

1.138

null

has coordinates

Ze-Hua Liu; Chun-Ying Duan; Jun Hu; Xiao-Zeng You Design, Synthesis, and Crystal Structure of a cis-Configuration N2S2-Coordinated Palladium(II) Complex: Role of the Intra- and Intermolecular Aromatic-Ring Stacking Interaction Inorganic Chemistry 38 (1999) 1719-1724

179,321

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:18:08 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179321 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/18/4321899.cif $ #-------------------------------------------------------------------...

2,008,858

7.8637

0.0003

16.0133

0.0005

17.9513

0.0006

90

null

101.358

0.001

90

null

2,216.23

0.13

203

2

203

2

null

5

P 1 21/c 1

-P 2ybc

14

Aqua(urea)hydroxo[9-(1,8-diaza-fluoren-9-ylidene)amino-1,8- diazafluorenato]zinc(II) Urea Solvate.

- C24 H23 N9 O4 Zn -

- C96 H92 N36 O16 Zn4 -

4

1

TA1244

Komen, Raymond P.; Miskelly, Gordon M.; Oliver, Allen; Rickard, Clifton E. F.

Aqua[9-(1,8-diazafluoren-9-ylidene)amino-1,8-diazafluorenato]hydroxo(urea)zinc(II) urea solvate

Acta Crystallographica Section C

1,999

55

8

1213

1215

10.1107/S0108270199005995

0.71073

MoKα

0.073

0.058

null

0.168

null

1.054

null

has coordinates

Komen, Raymond P.; Miskelly, Gordon M.; Oliver, Allen; Rickard, Clifton E. F. Aqua[9-(1,8-diazafluoren-9-ylidene)amino-1,8-diazafluorenato]hydroxo(urea)zinc(II) urea solvate Acta Crystallographica Section C 55(8) (1999) 1213-1215

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/88/2008858.cif $ #-------------------------------------------------------------------...

2,008,859

20.999

0.001

14.397

0.0005

12.648

0.004

90

null

90

null

90

null

3,823.8

1.2

173

2

173

2

null

4

P n a 21

P 2c -2n

33

1-acetyltetrahydro-4-methyl-2,4-diphenyl-5H-1,5-benzodiazepine

- C24 H24 N2 O -

- C192 H192 N16 O8 -

8

2

VJ1098

Laavanya, P.; Panchanatheswaran, K.; Venkatraj, M.; Jeyaraman, R.; Marshall, W.

1-Acetyl-1,2,3,4-tetrahydro-4-methyl-2,4-diphenyl-5H-1,5-benzodiazepine

Acta Crystallographica Section C

1,999

55

8

1355

1357

10.1107/S0108270199004722

0.71069

MoKα

0.0565

0.0504

null

0.1251

null

1.222

null

has coordinates,has Fobs

Laavanya, P.; Panchanatheswaran, K.; Venkatraj, M.; Jeyaraman, R.; Marshall, W. 1-Acetyl-1,2,3,4-tetrahydro-4-methyl-2,4-diphenyl-5H-1,5-benzodiazepine Acta Crystallographica Section C 55(8) (1999) 1355-1357

301,791

2025-08-18

23:15:33

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/88/2008859.cif $ #-------------------------------------------------------------------...

2,008,860

9.45

0.002

11.581

0.001

17.544

0.001

90

null

90

null

90

null

1,920

0.5

293

2

293

2

null

5

P 21 21 21

P 2ac 2ab

19

(2S,SR)-2-[1-(tert-Butoxycarbonyl)-pyrrolidinyl]-p-tolylsulfinylmethyl ketone

- C18 H25 N O4 S -

- C72 H100 N4 O16 S4 -

4

1

BK1464

Rubén A.Toscano; Alejandra Carrasco; Benjamín Ortiz; Rubén Sánchez-Obregón; Fernando Walle; Francisco Yuste

(2S,SR)-tert-Butyl 2-(p-tolylsulfinylacetyl)pyrrolidine-1-carboxylate

Acta Crystallographica Section C

1,999

55

9

1605

1607

10.1107/S0108270199006253

0.71073

MoKα

0.0897

0.0517

null

0.1353

null

1.013

null

has coordinates,has Fobs

Rubén A.Toscano; Alejandra Carrasco; Benjamín Ortiz; Rubén Sánchez-Obregón; Fernando Walle; Francisco Yuste (2S,SR)-tert-Butyl 2-(p-tolylsulfinylacetyl)pyrrolidine-1-carboxylate Acta Crystallographica Section C 55(9) (1999) 1605-1607

301,791

2025-08-18

23:15:33

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/88/2008860.cif $ #-------------------------------------------------------------------...

2,008,861

6.507

0.005

9.64

0.003

26.376

0.003

90

null

91.51

0.03

90

null

1,653.9

1.4

170

1

170

1

null

6

P 1 21/n 1

-P 2yn

14

(N-Maleoylmethioninate) trimethyl tin

- C12 H19 N O4 S Sn -

- C48 H76 N4 O16 S4 Sn4 -

4

1

BK1466

Parvez, Masood; Ali, Saqib; Mazhar, Muhammad; Bhatti, M. Hussain; Choudhary, M. Aziz

(N-Maleoylmethioninato)trimethyltin(IV)

Acta Crystallographica Section C

1,999

55

9

1429

1431

10.1107/S0108270199007180

0.71069

MoKα

0.091

0.059

null

0.159

null

1.224

null

has coordinates

Parvez, Masood; Ali, Saqib; Mazhar, Muhammad; Bhatti, M. Hussain; Choudhary, M. Aziz (N-Maleoylmethioninato)trimethyltin(IV) Acta Crystallographica Section C 55(9) (1999) 1429-1431

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/88/2008861.cif $ #-------------------------------------------------------------------...

4,321,898

8.473

0.002

15.427

0.003

17.387

0.003

90

null

90

null

90

null

2,272.7

0.8

293

2

293

2

null

synthesized

4

P b c a

-P 2ac 2ab

61

4,5-DIAZAFLUORENE 9-ONE THIOSEMICARBAZONE

- C12 H9 N5 S -

- C96 H72 N40 S8 -

8

1

Ze-Hua Liu; Chun-Ying Duan; Jun Hu; Xiao-Zeng You

Design, Synthesis, and Crystal Structure of a cis-Configuration N2S2-Coordinated Palladium(II) Complex: Role of the Intra- and Intermolecular Aromatic-Ring Stacking Interaction

Inorganic Chemistry

1,999

38

1719

1724

10.1021/ic9711731

0.71073

MoKα

0.1443

0.0413

null

0.1782

0.0859

null

0.792

0.775

null

has coordinates

Ze-Hua Liu; Chun-Ying Duan; Jun Hu; Xiao-Zeng You Design, Synthesis, and Crystal Structure of a cis-Configuration N2S2-Coordinated Palladium(II) Complex: Role of the Intra- and Intermolecular Aromatic-Ring Stacking Interaction Inorganic Chemistry 38 (1999) 1719-1724

301,838

2025-08-20

22:17:36

#------------------------------------------------------------------------------ #$Date: 2025-08-21 01:01:10 +0300 (Thu, 21 Aug 2025) $ #$Revision: 301838 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/18/4321898.cif $ #-------------------------------------------------------------------...

2,008,862

7.726

0.002

9.818

0.002

13.169

0.002

99

0.01

106.57

0.02

91.54

0.02

942.9

0.4

296

null

296

null

4

P -1

-P 1

2

di[1-dimethylamino-8-dimethylammonionaphthalene][naphthalene-1,5-dicarboxylic acid-4,8-dicarboxylate] dihydrate

- C21 H24 N2 O5 -

- C42 H48 N4 O10 -

1

0.5

BK1470

Fitzgerald, Lawrence J.; Gerkin, Roger E.

Hydrogen bonding and C—H···O interactions in bis(8-dimethylamino-1-dimethylammonionaphthalene) [(DMANH^+^)~2~] 4,8-dicarboxynaphthalene-1,5-dicarboxylate dihydrate

Acta Crystallographica Section C

1,999

55

9

1556

1559

10.1107/S0108270199006289

0.71073

MoKα

null

0.038

null

0.067

null

1.86

null

has coordinates

Fitzgerald, Lawrence J.; Gerkin, Roger E. Hydrogen bonding and C—H···O interactions in bis(8-dimethylamino-1-dimethylammonionaphthalene) [(DMANH^+^)~2~] 4,8-dicarboxynaphthalene-1,5-dicarboxylate dihydrate Acta Crystallographica Section C 55(9) (1999) 1556-1559

176,435

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/88/2008862.cif $ #-------------------------------------------------------------------...

2,008,863

9.3101

0.0008

12.484

0.0011

14.7622

0.0014

89.988

0.002

89.819

0.002

73.151

0.002

1,642.1

0.3

143

2

143

2

null

4

P -1

-P 1

2

4-(Triphenylmethyl)phenol-Triphenylphosphine Oxide(1/1)

1:1 Complex of 4-(Triphenylmethyl)phenol and Triphenylphosphine Oxide

- C43 H35 O2 P -

- C86 H70 O4 P2 -

2

1

BK1472

Ram K. R. Jetti; Weiss, Hans-Christoph; Venkat R. Thalladi; Boese, Roland; Ashwini Nangia; Gautam R. Desiraju

4-(Triphenylmethyl)phenol–triphenylphosphine oxide (1/1)

Acta Crystallographica Section C

1,999

55

9

1530

1533

10.1107/S0108270199006290

0.71073

MoKα

0.091

0.064

null

0.167

null

1.086

null

has coordinates

Ram K. R. Jetti; Weiss, Hans-Christoph; Venkat R. Thalladi; Boese, Roland; Ashwini Nangia; Gautam R. Desiraju 4-(Triphenylmethyl)phenol–triphenylphosphine oxide (1/1) Acta Crystallographica Section C 55(9) (1999) 1530-1533

301,791

2025-08-18

23:15:33

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/88/2008863.cif $ #-------------------------------------------------------------------...

2,008,864

9.435

0.006

12.605

0.004

9.481

0.005

90

null

99.82

0.05

90

null

1,111

1

293

2

293

2

null

4

P 1 21/n 1

-P 2yn

14

[Tetra(mu-cyano)-tris(ammonium)-dicuprate(I)-cupper(II)]~\ιnfty~

- C4 H9 Cu3 N7 -

- C16 H36 Cu12 N28 -

4

1

BM1284

Viktor Vrábel; Ján Garaj; Július Sivý; Drahomír Oktavec

Polymeric triamminetetrakis(μ-cyano)dicuprate(I)copper(II)

Acta Crystallographica Section C

1,999

55

9

1381

1383

10.1107/S0108270199007477

0.71069

MoKα

0.111

0.048

null

0.096

0.085

null

0.905

1.144

null

has coordinates

Viktor Vrábel; Ján Garaj; Július Sivý; Drahomír Oktavec Polymeric triamminetetrakis(μ-cyano)dicuprate(I)copper(II) Acta Crystallographica Section C 55(9) (1999) 1381-1383

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/88/2008864.cif $ #-------------------------------------------------------------------...

2,008,865

10.182

0.004

9.707

0.005

23.455

0.008

90

null

101.48

0.03

90

null

2,271.8

1.7

293

null

293

null

5

P 1 21/c 1

-P 2ybc

14

di-μ-methacrylato-O:O'-bis[(1,10-phenanthroline-N,N')bis(methacrylato-O,O') ytterbium(III)]

- C48 H46 N4 O12 Yb2 -

- C96 H92 N8 O24 Yb4 -

2

0.5

BM1303

Lu, Weimin; Luo, Xiaoyang; Wu, Bin; Jianxin Mao; Jiang, Xiaoyuan

A dihomonuclear complex: di-μ-methacrylato-O:O'-bis[(1,10-phenanthroline-N,N')bis(methacrylato-O,O')ytterbium(III)]

Acta Crystallographica Section C

1,999

55

9

1472

1475

10.1107/S0108270199006915

0.71069

MoKα

null

0.034

null

0.043

null

1.54

null

has coordinates

Lu, Weimin; Luo, Xiaoyang; Wu, Bin; Jianxin Mao; Jiang, Xiaoyuan A dihomonuclear complex: di-μ-methacrylato-O:O'-bis[(1,10-phenanthroline-N,N')bis(methacrylato-O,O')ytterbium(III)] Acta Crystallographica Section C 55(9) (1999) 1472-1475

301,791

2025-08-18

23:15:33

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/88/2008865.cif $ #-------------------------------------------------------------------...

2,008,866

23.727

0.003

5.837

0.0005

14.377

0.002

90

null

98.337

0.01

90

null

1,970.1

0.4

293

1

293

1

null

5

A 1 2/a 1

-A 2ya

15

Bis[μ-{bis(ethanethiolato)-S,N,μ-S'-(ethanethiol)}amine]dinickel(II)

- C12 H26 N2 Ni2 S6 -

- C48 H104 N8 Ni8 S24 -

4

0.5

BM1327

Davies, Sian C.; Evans, David J.; Hughes, David L.; Longhurst, Steven

Bis[μ-2,2',2''-nitrilotriethanethiolato(2 ‒)-N,S,S':S']dinickel(II)

Acta Crystallographica Section C

1,999

55

9

1436

1438

10.1107/S010827019900760X

0.71069

MoKα

0.104

0.044

null

0.097

null

0.963

null

has coordinates,has Fobs

Davies, Sian C.; Evans, David J.; Hughes, David L.; Longhurst, Steven Bis[μ-2,2',2''-nitrilotriethanethiolato(2 ‒)-N,S,S':S']dinickel(II) Acta Crystallographica Section C 55(9) (1999) 1436-1438

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/88/2008866.cif $ #-------------------------------------------------------------------...

2,008,867

7.847

0.003

8.594

0.003

9.867

0.003

115.612

0.014

98.079

0.015

104.033

0.016

558.8

0.4

143

2

143

2

null

5

P -1

-P 1

2

1,4,7,10-Tetraoxacyclododecane–acetone thiosemicarbazone (1/2)

- C16 H34 N6 O4 S2 -

1

0.5

BM1332

Moers, Oliver; Wijaya, Karna; Jones, Peter G.; Blaschette, Armand

1,4,7,10-Tetraoxacyclododecane–acetone thiosemicarbazone (1/2)

Acta Crystallographica Section C

1,999

55

9

1542

1545

10.1107/S0108270199006381

0.71073

MoKα

0.041

0.036

null

0.093

null

1.059

null

has coordinates,has Fobs

Moers, Oliver; Wijaya, Karna; Jones, Peter G.; Blaschette, Armand 1,4,7,10-Tetraoxacyclododecane–acetone thiosemicarbazone (1/2) Acta Crystallographica Section C 55(9) (1999) 1542-1545

301,791

2025-08-18

23:15:33

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/88/2008867.cif $ #-------------------------------------------------------------------...

4,321,897

13.703

0.001

19.008

0.002

25.807

0.003

90

null

101.734

0.003

90

null

6,581.4

1.1

21

null

21

null

5

P 1 21/c 1

-P 2ybc

14

- C81 H75 Cl2 Gd N8 -

- C81 H67 Cl2 Gd N8 -

- C324 H268 Cl8 Gd4 N32 -

4

1

Georgios A. Spyroulias; Catherine P. Raptopoulou; Dominique de Montauzon; Alain Mari; René Poilblanc; Aris Terzis; Athanassios G. Coutsolelos

Synthesis and Physicochemical Characterization of Protonated and Deprotonated Forms in Heteroleptic Lanthanide(III) Porphyrinate Double-Deckers. X-ray Structure of GdIIIH(oep)(tpp) at 298 and 21 K

Inorganic Chemistry

1,999

38

1683

1696

10.1021/ic970879s

0.7107

MoKα

0.1028

0.0775

null

0.2218

0.1911

null

1.078

1.115

null

has coordinates

Georgios A. Spyroulias; Catherine P. Raptopoulou; Dominique de Montauzon; Alain Mari; René Poilblanc; Aris Terzis; Athanassios G. Coutsolelos Synthesis and Physicochemical Characterization of Protonated and Deprotonated Forms in Heteroleptic Lanthanide(III) Porphyrinate Double-Deckers. X-ray Structure of GdIIIH(oep)(tp...

179,321

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:18:08 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179321 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/18/4321897.cif $ #-------------------------------------------------------------------...

2,008,868

8.9427

0.0012

9.419

0.0013

11.9415

0.0012

95.977

0.002

106.464

0.003

107.763

0.002

898.4

0.2

295

null

7

P -1

-P 1

2

- C17 H16 Cl2 Cu Hg N2 O2 -

- C34 H32 Cl4 Cu2 Hg2 N4 O4 -

2

1

BM1333

Atakol, Orhan; Arıcı, Cengiz; Tahir, M. Nawaz; Kenar, Adnan; Ülkü, Dinçer

{[μ-N,N'-Bis(salicylidene)-1,3-propanediaminato]-copper(II)}dichloromercury(II)

Acta Crystallographica Section C

1,999

55

9

1416

1418

10.1107/S0108270199007076

0.71073

MoKα

null

0.019

null

0.025

null

0.94

null

has coordinates

Atakol, Orhan; Arıcı, Cengiz; Tahir, M. Nawaz; Kenar, Adnan; Ülkü, Dinçer {[μ-N,N'-Bis(salicylidene)-1,3-propanediaminato]-copper(II)}dichloromercury(II) Acta Crystallographica Section C 55(9) (1999) 1416-1418

176,435

2020-10-21

18:00:00

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2,008,869

5.152

0.0005

10.472

0.0011

6.3709

0.0007

90

null

105.659

0.002

90

null

330.96

0.06

163

2

163

2

null

3

P 1 21/n 1

-P 2yn

14

2,2'-Bi-2-imidazoline

- C6 H10 N4 -

- C12 H20 N8 -

2

0.5

BM1338

Brennan, Conor J.; McKee, Vickie

2,2'-Bi-2-imidazoline

Acta Crystallographica Section C

1,999

55

9

1492

1494

10.1107/S010827019900654X

0.71073

MoKα

0.0399

0.037

null

0.0979

null

1.082

null

has coordinates,has Fobs

Brennan, Conor J.; McKee, Vickie 2,2'-Bi-2-imidazoline Acta Crystallographica Section C 55(9) (1999) 1492-1494

301,791

2025-08-18

23:15:33

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/88/2008869.cif $ #-------------------------------------------------------------------...

2,008,870

22.3117

0.0014

8.2925

0.0006

16.1711

0.0018

90

null

122.532

0.006

90

null

2,522.5

0.4

153

2

153

2

null

4

C 1 c 1

C -2yc

9

1,4,7,10,13,16,21,24-Octaazabicyclo[8.8.8]hexacosa-4,6,13,15,21,23-hexaene pentahydrate

- C18 H40 N8 O5 -

- C72 H160 N32 O20 -

4

1

BM1339

McKee, Vickie; Nelson, Jane

1,4,7,10,13,16,21,24-Octaazabicyclo[8.8.8]hexacosa-4,6,13,15,21,23-hexaene pentahydrate

Acta Crystallographica Section C

1,999

55

9

1494

1496

10.1107/S010827019900671X

0.71073

MoKα

0.036

0.029

null

0.068

null

1.052

null

has coordinates,has Fobs

McKee, Vickie; Nelson, Jane 1,4,7,10,13,16,21,24-Octaazabicyclo[8.8.8]hexacosa-4,6,13,15,21,23-hexaene pentahydrate Acta Crystallographica Section C 55(9) (1999) 1494-1496

301,791

2025-08-18

23:15:33

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/88/2008870.cif $ #-------------------------------------------------------------------...

2,008,871

15.8043

0.0016

12.8885

0.0012

11.4501

0.0011

90

null

132.195

0.002

90

null

1,727.9

0.3

180

2

180

2

null

4

C 1 2/c 1

-C 2yc

15

N^1^,N^2^ - Di(phenyl)benzamidine nitrate

- C19 H17 N3 O3 -

- C76 H68 N12 O12 -

4

0.5

BM1345

Barker, James; Errington, William; Wallbridge, Malcolm G. H.

N,N'-Diphenylbenzamidinium nitrate

Acta Crystallographica Section C

1,999

55

9

1583

1585

10.1107/S0108270199007672

0.71073

MoKα

0.0723

0.0457

null

0.1188

null

1.002

null

has coordinates,has Fobs

Barker, James; Errington, William; Wallbridge, Malcolm G. H. N,N'-Diphenylbenzamidinium nitrate Acta Crystallographica Section C 55(9) (1999) 1583-1585

301,791

2025-08-18

23:15:33

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/88/2008871.cif $ #-------------------------------------------------------------------...

2,008,872

14.045

0.003

12.932

0.003

17.099

0.003

90

null

101.08

0.03

90

null

3,047.8

1.1

293

2

293

2

null

5

P 1 21/n 1

-P 2yn

14

ammonium magnesium paradodecatungstate dodehydrate

- H66 Mg4 N2 O70 W12 -

- Mg4 N2 O70 W12 -

- Mg8 N4 O140 W24 -

2

0.5

BR1227

Li, Jing; Wang, Ru-Ji; Torardi, Charlie C.

(NH~4~)~2~[Mg~4~(H~2~O)~18~(H~2~W~12~O~42~)]^.^10H~2~O, a new compound containing chains formed by magnesium and paradodecahedral tungstate ions

Acta Crystallographica Section C

1,999

55

9

1388

1391

10.1107/S0108270199006265

0.71073

MoKα

0.1255

0.0716

null

0.1125

null

1.165

null

has coordinates

Li, Jing; Wang, Ru-Ji; Torardi, Charlie C. (NH~4~)~2~[Mg~4~(H~2~O)~18~(H~2~W~12~O~42~)]^.^10H~2~O, a new compound containing chains formed by magnesium and paradodecahedral tungstate ions Acta Crystallographica Section C 55(9) (1999) 1388-1391

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/88/2008872.cif $ #-------------------------------------------------------------------...

2,008,873

5.6665

0.0002

5.6665

0.0002

34.2196

0.0017

90

null

90

null

120

null

951.56

0.07

293

null

293

null

5

R -3 m :H

-R 3 2"

166

K^+^ /b"-aluminogallate

- Al8.58 Ga1.75 K1.67 Mg0.67 O17 -

- Al8.58105 Ga1.75235 K1.68 Mg0.2222 O17 -

- Al25.7432 Ga5.25705 K5.04 Mg0.6666 O51 -

3

0.083333

BR1232

Edström, Kristina

Potassium β''-aluminogallate

Acta Crystallographica Section C

1,999

55

9

1384

1388

10.1107/S0108270199007799

0.71073

MoKα

0.036

0.018

null

0.062

null

0.062

null

1.81

null

1.81

null

has coordinates

Edström, Kristina Potassium β''-aluminogallate Acta Crystallographica Section C 55(9) (1999) 1384-1388

176,435

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/88/2008873.cif $ #-------------------------------------------------------------------...

2,008,874

10.221

0.003

9.275

0.003

7.024

0.002

90

null

106.87

0.02

90

null

637.2

0.3

299

2

299

2

null

4

C 1 2/m 1

-C 2y

12

- Co0.7 Fe0.3 Mo O4 -

- Co0.695 Fe0.305 Mo O4 -

- Co5.56 Fe2.44 Mo8 O32 -

8

1

BR1241

Ehrenberg, Helmut; Svoboda, Ingrid; Wiesmann, Marc; Weitzel, Hans

A mixed transition metal molybdate, β-(Co~0.7~Fe~0.3~)MoO~4~

Acta Crystallographica Section C

1,999

55

9

1383

1384

10.1107/S0108270199007805

0.71093

MoKα

0.062

0.037

null

0.095

0.087

null

1.135

1.205

null

has coordinates,has Fobs

Ehrenberg, Helmut; Svoboda, Ingrid; Wiesmann, Marc; Weitzel, Hans A mixed transition metal molybdate, β-(Co~0.7~Fe~0.3~)MoO~4~ Acta Crystallographica Section C 55(9) (1999) 1383-1384

176,435

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/88/2008874.cif $ #-------------------------------------------------------------------...

4,321,896

13.779

0.001

19.41

0.001

26.183

0.002

90

null

101.938

0.002

90

null

6,851.2

0.8

298

null

298

null

5

P 1 21/c 1

-P 2ybc

14

- C81 H75 Cl2 Gd N8 -

- C80.847 H62 Cl1.694 Gd N8 -

- C323.388 H248 Cl6.776 Gd4 N32 -

4

1

Georgios A. Spyroulias; Catherine P. Raptopoulou; Dominique de Montauzon; Alain Mari; René Poilblanc; Aris Terzis; Athanassios G. Coutsolelos

Synthesis and Physicochemical Characterization of Protonated and Deprotonated Forms in Heteroleptic Lanthanide(III) Porphyrinate Double-Deckers. X-ray Structure of GdIIIH(oep)(tpp) at 298 and 21 K

Inorganic Chemistry

1,999

38

1683

1696

10.1021/ic970879s

0.7107

MoKα

0.0685

0.0474

null

0.1463

0.1149

null

1.098

1.122

null

has coordinates

Georgios A. Spyroulias; Catherine P. Raptopoulou; Dominique de Montauzon; Alain Mari; René Poilblanc; Aris Terzis; Athanassios G. Coutsolelos Synthesis and Physicochemical Characterization of Protonated and Deprotonated Forms in Heteroleptic Lanthanide(III) Porphyrinate Double-Deckers. X-ray Structure of GdIIIH(oep)(tp...

179,321

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:18:08 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179321 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/18/4321896.cif $ #-------------------------------------------------------------------...

2,008,875

10.422

0.006

10.422

0.006

101.433

0.007

90

null

90

null

120

null

9,541

8

298.2

null

298.2

null

7

P 65 2 2

P 65 2 (0 0 1)

179

[Co{α-Me‒sal~2~‒(S,S)‒bn}(py)~2~}]BF~4~, 1.5-water

- C30 H35 B Co F4 N4 O3.5 -

- C30 H34.49 B Co F4 N4 O3.245 -

- C360 H413.88 B12 Co12 F48 N48 O38.94 -

12

1

CF1272

Shoichi Sato; Takashi Fukuda; Kazuaki Ishii; Yoshiharu Nakano; Yuki Fujii

Polymorphs of [(2S,3S)-α-Me-N,N'-bis(salicylidene)butane-2,3-diaminato]bis(pyridine)cobalt(III) tetrafluoroborate hydrate

Acta Crystallographica Section C

1,999

55

9

1466

1470

10.1107/S0108270199006812

1.5418

CuKα

null

0.0541

null

0.0585

null

1.892

null

has coordinates

Shoichi Sato; Takashi Fukuda; Kazuaki Ishii; Yoshiharu Nakano; Yuki Fujii Polymorphs of [(2S,3S)-α-Me-N,N'-bis(salicylidene)butane-2,3-diaminato]bis(pyridine)cobalt(III) tetrafluoroborate hydrate Acta Crystallographica Section C 55(9) (1999) 1466-1470

189,124

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-12-14 14:05:40 +0200 (Wed, 14 Dec 2016) $ #$Revision: 189124 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/88/2008875.cif $ #-------------------------------------------------------------------...

2,008,876

10.305

0.002

18.047

0.003

50.764

0.002

90

null

92.463

0.009

90

null

9,432

2

298.2

null

7

C 1 2 1

C 2y

5

- C30 H35.4 B Co F4 N4 O3.7 -

- C30 H32 B Co F3.91667 N4 O3.48333 -

- C360 H384 B12 Co12 F47 N48 O41.8 -

12

3

CF1272

Shoichi Sato; Takashi Fukuda; Kazuaki Ishii; Yoshiharu Nakano; Yuki Fujii

Polymorphs of [(2S,3S)-α-Me-N,N'-bis(salicylidene)butane-2,3-diaminato]bis(pyridine)cobalt(III) tetrafluoroborate hydrate

Acta Crystallographica Section C

1,999

55

9

1466

1470

10.1107/S0108270199006812

0.7107

MoKα

null

0.0561

null

0.0686

null

2.99

null

has coordinates

Shoichi Sato; Takashi Fukuda; Kazuaki Ishii; Yoshiharu Nakano; Yuki Fujii Polymorphs of [(2S,3S)-α-Me-N,N'-bis(salicylidene)butane-2,3-diaminato]bis(pyridine)cobalt(III) tetrafluoroborate hydrate Acta Crystallographica Section C 55(9) (1999) 1466-1470

176,435

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/88/2008876.cif $ #-------------------------------------------------------------------...

2,008,877

11.135

0.002

11.135

0.002

4.376

0.001

90

null

90

null

90

null

542.57

0.19

293

2

293

2

null

5

I -4

82

- C4 Cd N4 S4 Zn -

- C8 Cd2 N8 S8 Zn2 -

2

0.25

CF1297

Tian, Yu-Peng; Yu, Wen-Tao; Fang, Qi; Wang, Xin-Qiang; Yuan, Duo-Rong; Xu, Dong; Jiang, Min-Hua

Zinc cadmium thiocyanate (ZCTC)

Acta Crystallographica Section C

1,999

55

9

1393

1395

10.1107/S0108270199007623

0.71073

MoKα

0.029

0.028

null

0.094

0.093

null

1.264

1.275

null

has coordinates,has Fobs

Tian, Yu-Peng; Yu, Wen-Tao; Fang, Qi; Wang, Xin-Qiang; Yuan, Duo-Rong; Xu, Dong; Jiang, Min-Hua Zinc cadmium thiocyanate (ZCTC) Acta Crystallographica Section C 55(9) (1999) 1393-1395

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/88/2008877.cif $ #-------------------------------------------------------------------...

2,008,878

6.231

0.003

7.935

0.004

11.667

0.006

90

null

92.09

0.03

90

null

576.5

0.5

180

2

180

2

null

5

P 1 21/n 1

-P 2yn

14

N-hydroxypyridine-2-thione

1-Hydroxypyridine-2(1H)-thione

- C5 H5 N O S -

- C20 H20 N4 O4 S4 -

4

1

CF1307

Bond, Andrew; Jones, William

1-Hydroxy-2(1H)-pyridinethione

Acta Crystallographica Section C

1,999

55

9

1536

1538

10.1107/S0108270199006824

0.71073

MoKα

0.0594

0.0311

null

0.0856

null

1.016

null

has coordinates

Bond, Andrew; Jones, William 1-Hydroxy-2(1H)-pyridinethione Acta Crystallographica Section C 55(9) (1999) 1536-1538

301,791

2025-08-18

23:15:33

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/88/2008878.cif $ #-------------------------------------------------------------------...

2,008,879

29.7207

0.0013

7.7934

0.0003

17.2154

0.0007

90

null

102.392

0.001

90

null

3,894.6

0.3

188

2

188

2

null

6

C 1 2/c 1

-C 2yc

15

- C14 H34 Cl2 N4 O2 Pd -

- C112 H272 Cl16 N32 O16 Pd8 -

8

1

CF1310

Hubin, Timothy J.; Alcock, Nathaniel W.; Busch, Daryle H.

The square-pyramidal Pd^II^ complex of a cross-bridged tetraazamacrocycle

Acta Crystallographica Section C

1,999

55

9

1404

1406

10.1107/S0108270199007817

0.71073

MoKα

0.066

0.0382

null

0.0888

null

0.0819

null

0.945

null

1.058

null

has coordinates,has Fobs

Hubin, Timothy J.; Alcock, Nathaniel W.; Busch, Daryle H. The square-pyramidal Pd^II^ complex of a cross-bridged tetraazamacrocycle Acta Crystallographica Section C 55(9) (1999) 1404-1406

199,607

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-08-07 04:53:34 +0300 (Mon, 07 Aug 2017) $ #$Revision: 199607 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/88/2008879.cif $ #-------------------------------------------------------------------...

2,008,880

25.3

0.005

7.366

0.002

14.609

0.003

90

null

113.62

0.03

90

null

2,494.4

1.1

100

2

100

2

null

4

C 1 2/c 1

-C 2yc

15

4-Hydroxy-1-oxo-2H-phthalazine-6,7-dicarboxylate bis-hydrazinium

- C10 H14 N6 O6 -

- C80 H112 N48 O48 -

8

1

CF1312

Benniston, Andrew C.; Yufit, D. S.; Howard, Judith A. K.

Bis(hydrazinium) 4-hydroxy-1-oxo-2H-phthalazine-6,7-dicarboxylate

Acta Crystallographica Section C

1,999

55

9

1535

1536

10.1107/S0108270199007635

0.71073

MoKα

0.077

0.044

null

0.107

null

1.035

null

has coordinates

Benniston, Andrew C.; Yufit, D. S.; Howard, Judith A. K. Bis(hydrazinium) 4-hydroxy-1-oxo-2H-phthalazine-6,7-dicarboxylate Acta Crystallographica Section C 55(9) (1999) 1535-1536

301,791

2025-08-18

23:15:33

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/88/2008880.cif $ #-------------------------------------------------------------------...

7,106,482

46.4797

0.0009

19.2626

0.0005

34.649

0.001

90

null

116.349

0.002

90

null

27,799

1.3

100

2

100

2

null

synthesis as described

7

C 1 2/c 1

-C 2yc

15

- C91 H175 Cr6 F8 N O36.5 Y2 -

- C91 H171 Cr6 F8 N O36.5 Y2 -

- C728 H1368 Cr48 F64 N8 O292 Y16 -

8

1

Andrew McRobbie; Asad R. Sarwar; Steven Yeninas; Harriott Nowell; Michael L. Baker; David Allan; Marshall Luban; Christopher A. Muryn; Robin G. Pritchard; Ruslan Prozorov; Grigore A. Timco; Floriana Tuna; George F. S. Whitehead; Richard E. P. Winpenny

Chromium Chains as Polydentate Fluoride Ligands for Lanthanides

Chem.Commun.

2,011

47

6251

10.1039/c1cc11516b

x-ray

0.71073

MoKα

0.1779

0.1036

null

0.2413

0.2692

null

1.246

null

has coordinates

Andrew McRobbie; Asad R. Sarwar; Steven Yeninas; Harriott Nowell; Michael L. Baker; David Allan; Marshall Luban; Christopher A. Muryn; Robin G. Pritchard; Ruslan Prozorov; Grigore A. Timco; Floriana Tuna; George F. S. Whitehead; Richard E. P. Winpenny Chromium Chains as Polydentate Fluoride Ligands for Lanthanides Chem...

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/7/10/64/7106482.cif $ #-------------------------------------------------------------------...

2,008,881

13.332

0.001

6.0756

0.0005

8.3258

0.0006

90

null

90

null

90

null

674.39

0.09

298

null

298

null

5

P n m a

-P 2ac 2n

62

- H Na O7 Se2 Zn2 -

- H4 Na4 O28 Se8 Zn8 -

4

0.5

CF1315

Harrison, William T. A.; Phillips, Mark L. F.

Sodium zinc hydroxide selenite, NaZn~2~(OH)(SeO~3~)~2~

Acta Crystallographica Section C

1,999

55

9

1398

1399

10.1107/S010827019900637X

0.71073

MoKα

null

0.029

null

0.032

null

1.09

null

has coordinates

Harrison, William T. A.; Phillips, Mark L. F. Sodium zinc hydroxide selenite, NaZn~2~(OH)(SeO~3~)~2~ Acta Crystallographica Section C 55(9) (1999) 1398-1399

176,435

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/88/2008881.cif $ #-------------------------------------------------------------------...

2,008,882

12.1621

0.0009

14.7472

0.0009

20.8082

0.0009

90

null

103.451

0.002

90

null

3,629.7

0.4

180

2

180

2

null

7

P 1 21/n 1

-P 2yn

14

iodo(6-chloropyridin-2-yl)bis(triphenylphosphine)palladium(II)

- C41 H33 Cl I N P2 Pd -

- C164 H132 Cl4 I4 N4 P8 Pd4 -

4

1

CF1319

Cave, Gareth W. V.; Errington, William; Rourke, Jonathan P.

(6-Chloropyridin-2-yl)iodobis(triphenylphosphine)palladium(II)

Acta Crystallographica Section C

1,999

55

9

1461

1463

10.1107/S0108270199007866

0.71073

MoKα

0.098

0.053

null

0.139

null

1.001

null

has coordinates,has Fobs

Cave, Gareth W. V.; Errington, William; Rourke, Jonathan P. (6-Chloropyridin-2-yl)iodobis(triphenylphosphine)palladium(II) Acta Crystallographica Section C 55(9) (1999) 1461-1463

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/88/2008882.cif $ #-------------------------------------------------------------------...

2,008,883

8.9031

0.0004

15.7897

0.0006

20.0697

0.0007

90

null

99.569

0.004

90

null

2,782.09

0.19

293

2

293

2

null

5

P 1 21/c 1

-P 2ybc

14

Di(1-hydro-1,10-Phenanthrolinium) iodinium-dichlorido diiodine-chloride

- C24 H18 Cl3 I3 N4 -

- C96 H72 Cl12 I12 N16 -

4

1

DA1070

Wang, Yan-Qia; Wang, Zhe-Ming; Liao, Chun-Sheng; Yan, Chun-Hua

Bis(1,10-phenanthrolin-1-ium) chlorodiiodide(1 –) dichloroiodide(1 –)

Acta Crystallographica Section C

1,999

55

9

1503

1506

10.1107/S0108270199007684

0.71073

MoKα

0.0509

0.0332

null

0.0745

null

1.084

null

has coordinates,has Fobs

Wang, Yan-Qia; Wang, Zhe-Ming; Liao, Chun-Sheng; Yan, Chun-Hua Bis(1,10-phenanthrolin-1-ium) chlorodiiodide(1 –) dichloroiodide(1 –) Acta Crystallographica Section C 55(9) (1999) 1503-1506

301,791

2025-08-18

23:15:33

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/88/2008883.cif $ #-------------------------------------------------------------------...

2,008,884

22.8378

0.0014

12.0426

0.0005

9.5835

0.0004

90

null

107.358

0.004

90

null

2,515.7

0.2

293

2

293

2

null

5

C 1 2/c 1

-C 2yc

15

catena-tris(m-cyanobenzoxylate erbium) dihydrate

- C24 H15 Er N3 O8 -

- C96 H60 Er4 N12 O32 -

4

0.5

DA1072

Ma, Bao-Qing; Gao, Song; Wang, Zhe-Ming; Yi, Tao; Yan, Chun-Hua; Xu, Guang-Xian

catena-Poly[[diaqua(3-cyanobenzoato-O,O')erbium]-bis-μ-(3-cyanobenzoato-O:O')]

Acta Crystallographica Section C

1,999

55

9

1420

1422

10.1107/S0108270199007696

0.71073

MoKα

0.027

0.02

null

0.047

null

1.078

null

has coordinates

Ma, Bao-Qing; Gao, Song; Wang, Zhe-Ming; Yi, Tao; Yan, Chun-Hua; Xu, Guang-Xian catena-Poly[[diaqua(3-cyanobenzoato-O,O')erbium]-bis-μ-(3-cyanobenzoato-O:O')] Acta Crystallographica Section C 55(9) (1999) 1420-1422

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/88/2008884.cif $ #-------------------------------------------------------------------...

2,008,885

10.82

0.02

9.98

0.02

43.13

0.07

90

null

90

null

90

null

4,657

15

100

null

6

P 21 c a

P -2ac 21

null

D-BCCD

Deuterated Betaine Calcium Chloride Dihydrate

- C5 Ca Cl2 D15 N O4 -

- C80 Ca16 Cl32 D240 N16 O64 -

16

4

FG1472

Hernandez, Olivier; Kiat, Jean-Michel; Cousson, Alain; Paulus, Werner; Ezpeleta, Jose Maria; Zuniga, Francisco Javier

Commensurately modulated 1/4 and 1/5 phases of deuterated betaine calcium chloride dihydrate: a neutron structural study

Acta Crystallographica Section C

1,999

55

9

1463

1466

10.1107/S0108270198017508

neutron

1.528

Neutron

null

0.084

null

0.088

null

1.16

null

has coordinates

Hernandez, Olivier; Kiat, Jean-Michel; Cousson, Alain; Paulus, Werner; Ezpeleta, Jose Maria; Zuniga, Francisco Javier Commensurately modulated 1/4 and 1/5 phases of deuterated betaine calcium chloride dihydrate: a neutron structural study Acta Crystallographica Section C 55(9) (1999) 1463-1466

176,435

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/88/2008885.cif $ #-------------------------------------------------------------------...

2,008,886

10.82

0.03

9.98

0.02

53.93

0.02

90

null

90

null

90

null

5,824

2

68

null

6

P 21 21 21

P 2ac 2ab

19

D-BCCD

Deuterated Betaine Calcium Chloride Dihydrate

- C5 Ca Cl2 D15 N O4 -

- C100 Ca20 Cl40 D300 N20 O80 -

20

5

FG1472

Hernandez, Olivier; Kiat, Jean-Michel; Cousson, Alain; Paulus, Werner; Ezpeleta, Jose Maria; Zuniga, Francisco Javier

Commensurately modulated 1/4 and 1/5 phases of deuterated betaine calcium chloride dihydrate: a neutron structural study

Acta Crystallographica Section C

1,999

55

9

1463

1466

10.1107/S0108270198017508

neutron

1.528

Neutron

null

0.123

null

0.154

null

1.03

null

has coordinates

Hernandez, Olivier; Kiat, Jean-Michel; Cousson, Alain; Paulus, Werner; Ezpeleta, Jose Maria; Zuniga, Francisco Javier Commensurately modulated 1/4 and 1/5 phases of deuterated betaine calcium chloride dihydrate: a neutron structural study Acta Crystallographica Section C 55(9) (1999) 1463-1466

189,897

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-01-05 17:16:25 +0200 (Thu, 05 Jan 2017) $ #$Revision: 189897 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/88/2008886.cif $ #-------------------------------------------------------------------...

7,106,481

18.485

0.004

23.817

0.005

28.73

0.006

103.809

0.003

99.436

0.003

99.405

0.003

11,843

4

100

2

100

2

null

synthesis as described

7

P -1

-P 1

2

- C153 H285 Cr12 F21 N2 O58 Y4 -

- C306 H570 Cr24 F42 N4 O116 Y8 -

2

1

Andrew McRobbie; Asad R. Sarwar; Steven Yeninas; Harriott Nowell; Michael L. Baker; David Allan; Marshall Luban; Christopher A. Muryn; Robin G. Pritchard; Ruslan Prozorov; Grigore A. Timco; Floriana Tuna; George F. S. Whitehead; Richard E. P. Winpenny

Chromium Chains as Polydentate Fluoride Ligands for Lanthanides

Chem.Commun.

2,011

47

6251

10.1039/c1cc11516b

x-ray

0.7749

synchrotron

0.1262

0.0959

null

0.2569

0.2785

null

1.073

null

has coordinates,has disorder

Andrew McRobbie; Asad R. Sarwar; Steven Yeninas; Harriott Nowell; Michael L. Baker; David Allan; Marshall Luban; Christopher A. Muryn; Robin G. Pritchard; Ruslan Prozorov; Grigore A. Timco; Floriana Tuna; George F. S. Whitehead; Richard E. P. Winpenny Chromium Chains as Polydentate Fluoride Ligands for Lanthanides Chem...

180,168

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-26 03:05:44 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180168 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/10/64/7106481.cif $ #-------------------------------------------------------------------...

2,008,887

14.485

0.002

10.804

0.002

19.567

0.003

90

null

103.28

0.01

90

null

2,980.3

0.8

290

2

17

2

null

5

C 1 2/c 1

-C 2yc

15

Bis–(2,2'–bipyridine)–bis–μ-maleato–diaqua–dizinc Dihydrate

- C28 H28 N4 O12 Zn2 -

- C112 H112 N16 O48 Zn8 -

4

0.5

FG1534

Zhang, Cungen; Yu, Kaibei; Wu, Dan; Zhao, Chengxue

A maleate-bridged dinuclear bipyridine-containing zinc(II) complex

Acta Crystallographica Section C

1,999

55

9

1470

1472

10.1107/S0108270199006848

0.71073

MoKα

0.0343

0.0245

null

0.0613

null

0.0586

null

0.972

null

1.057

null

has coordinates

Zhang, Cungen; Yu, Kaibei; Wu, Dan; Zhao, Chengxue A maleate-bridged dinuclear bipyridine-containing zinc(II) complex Acta Crystallographica Section C 55(9) (1999) 1470-1472

301,791

2025-08-18

23:15:33

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/88/2008887.cif $ #-------------------------------------------------------------------...

2,008,888

10.2264

0.0002

10.3606

0.0001

18.0965

0.0003

87.36

0.001

81.604

0.001

74.839

0.001

1,830.72

0.05

203

2

203

2

null

6

P -1

-P 1

2

cis-Bis(cyanomethyl)bis(triphenylphosphine)platinum(II) 0.6 dichloromethane solvate

- C40.5 H35 Cl N2 P2 Pt -

- C40 H34 N2 P2 Pt -

- C80 H68 N4 P4 Pt2 -

2

1

FG1536

Henderson, William; Oliver, Allen G.

cis-Bis(cyanomethyl)bis(triphenylphosphine)platinum(II)‒dichloromethane (1/0.6)

Acta Crystallographica Section C

1,999

55

9

1406

1408

10.1107/S0108270199007490

0.71073

MoKα

0.062

0.047

null

0.113

null

0.968

null

has coordinates

Henderson, William; Oliver, Allen G. cis-Bis(cyanomethyl)bis(triphenylphosphine)platinum(II)‒dichloromethane (1/0.6) Acta Crystallographica Section C 55(9) (1999) 1406-1408

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/88/2008888.cif $ #-------------------------------------------------------------------...

2,008,889

8.866

null

12.9431

0.0002

13.9107

0.0002

103.112

0.001

102.296

0.001

93.03

null

1,510.41

0.03

298

2

298

2

null

5

P -1

-P 1

2

N,N'–bis–(2–tosylaminobenzylidene)–1,3–propanediamine

- C31 H32 N4 O4 S2 -

- C62 H64 N8 O8 S4 -

2

1

FG1538

Mahía, José; Maestro, Miguel A.; Vázquez, Miguel; Bermejo, Manuel R.; Sanmartín, Jesús; Maneiro, Marcelino

N,N'-Bis(2-tosylaminobenzylidene)-1,3-propanediamine

Acta Crystallographica Section C

1,999

55

9

1545

1547

10.1107/S010827019900685X

0.71073

MoKα

0.0756

0.0493

null

0.1535

0.1341

null

1.017

1.088

null

has coordinates

Mahía, José; Maestro, Miguel A.; Vázquez, Miguel; Bermejo, Manuel R.; Sanmartín, Jesús; Maneiro, Marcelino N,N'-Bis(2-tosylaminobenzylidene)-1,3-propanediamine Acta Crystallographica Section C 55(9) (1999) 1545-1547

301,791

2025-08-18

23:15:33

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/88/2008889.cif $ #-------------------------------------------------------------------...

2,008,890

7.363

0.001

11.299

0.001

23.502

0.003

90

null

90

null

90

null

1,955.2

0.4

298

2

298

2

null

3

P 21 21 21

P 2ac 2ab

19

(+)-ketopinic acid

(+)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxylic acid

- C10 H14 O3 -

- C80 H112 O24 -

8

2

FG1548

Lalancette, Roger A.; Coté, Marie L.; Smith III, William J.; Thompson, Hugh W.; Vanderhoff, Peggy A.; Brunskill, Andrew P. J.; Campana, Charles; Burshtein, Izya; Rose, John P.; (+)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxylic acid

(+)- and (±)-ketopinic acid: hydrogen-bonding patterns in a β-keto acid in its enantiomeric and racemic forms and enantiomeric disordering in the racemate

Acta Crystallographica Section C

1,999

55

9

1600

1605

10.1107/S0108270199007428

0.71073

MoKα

0.116

0.06

null

0.13

null

1.04

null

has coordinates

Lalancette, Roger A.; Coté, Marie L.; Smith III, William J.; Thompson, Hugh W.; Vanderhoff, Peggy A.; Brunskill, Andrew P. J.; Campana, Charles; Burshtein, Izya; Rose, John P.; (+)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxylic acid (+)- and (±)-ketopinic acid: hydrogen-bonding patterns in a β-keto acid in its en...

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/88/2008890.cif $ #-------------------------------------------------------------------...

7,106,480

18.493

0.007

23.672

0.009

28.318

0.012

104.74

0.004

99.892

0.003

99.161

0.006

11,539

8

100

2

100

2

null

synthesis as described

7

P -1

-P 1

2

- C153 H285 Cr12 F21 Gd4 N2 O58 -

- C306 H570 Cr24 F42 Gd8 N4 O116 -

2

1

Andrew McRobbie; Asad R. Sarwar; Steven Yeninas; Harriott Nowell; Michael L. Baker; David Allan; Marshall Luban; Christopher A. Muryn; Robin G. Pritchard; Ruslan Prozorov; Grigore A. Timco; Floriana Tuna; George F. S. Whitehead; Richard E. P. Winpenny

Chromium Chains as Polydentate Fluoride Ligands for Lanthanides

Chem.Commun.

2,011

47

6251

10.1039/c1cc11516b

x-ray

0.6889

Synchrotron

0.1287

0.0999

null

0.2229

0.2474

null

1.11

null

has coordinates

Andrew McRobbie; Asad R. Sarwar; Steven Yeninas; Harriott Nowell; Michael L. Baker; David Allan; Marshall Luban; Christopher A. Muryn; Robin G. Pritchard; Ruslan Prozorov; Grigore A. Timco; Floriana Tuna; George F. S. Whitehead; Richard E. P. Winpenny Chromium Chains as Polydentate Fluoride Ligands for Lanthanides Chem...

180,168

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-26 03:05:44 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180168 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/10/64/7106480.cif $ #-------------------------------------------------------------------...

2,008,891

7.0947

0.0003

11.8316

0.0006

12.1662

0.0006

72.013

0.001

77.019

0.001

86.546

0.001

946.47

0.08

123

2

123

2

null

3

P -1

-P 1

2

(+/-)-ketopinic acid

(+/-)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxylic acid

- C10 H14 O3 -

- C40 H56 O12 -

4

2

FG1548

Lalancette, Roger A.; Coté, Marie L.; Smith III, William J.; Thompson, Hugh W.; Vanderhoff, Peggy A.; Brunskill, Andrew P. J.; Campana, Charles; Burshtein, Izya; Rose, John P.

(+)- and (±)-ketopinic acid: hydrogen-bonding patterns in a β-keto acid in its enantiomeric and racemic forms and enantiomeric disordering in the racemate

Acta Crystallographica Section C

1,999

55

9

1600

1605

10.1107/S0108270199007428

0.71073

MoKα

0.056

0.05

null

0.137

null

1.07

null

has coordinates,has disorder

Lalancette, Roger A.; Coté, Marie L.; Smith III, William J.; Thompson, Hugh W.; Vanderhoff, Peggy A.; Brunskill, Andrew P. J.; Campana, Charles; Burshtein, Izya; Rose, John P. (+)- and (±)-ketopinic acid: hydrogen-bonding patterns in a β-keto acid in its enantiomeric and racemic forms and enantiomeric disordering in th...

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/88/2008891.cif $ #-------------------------------------------------------------------...

2,008,892

9.443

0.002

20.758

0.004

23.478

0.005

90

null

90

null

90

null

4,602.1

1.6

162

2

162

2

null

5

P 21 21 21

P 2ac 2ab

19

Bis(dicyclohexylammonium) (nitrilotriacetato)tributylstannate

- C42 H81 N3 O6 Sn -

- C168 H324 N12 O24 Sn4 -

4

1

FG1549

Ng, Seik Weng

Bis(dicyclohexylammonium) tributyl(nitrilotriacetato)stannate

Acta Crystallographica Section C

1,999

55

9

1447

1449

10.1107/S0108270199007295

0.71073

MoKα

0.063

0.044

null

0.1

null

0.942

null

has coordinates,has disorder

Ng, Seik Weng Bis(dicyclohexylammonium) tributyl(nitrilotriacetato)stannate Acta Crystallographica Section C 55(9) (1999) 1447-1449

189,898

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-01-05 17:22:51 +0200 (Thu, 05 Jan 2017) $ #$Revision: 189898 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/88/2008892.cif $ #-------------------------------------------------------------------...

2,008,893

10.574

0.003

16.812

0.002

12.882

0.002

90

null

102.15

0.02

90

null

2,238.7

0.8

170

1

170

1

null

5

P 1 21/a 1

-P 2yab

14

Tri-n-Butyltin N-maleoyl-β-alaninate

Tri-n-butyltin N-maleoyl-β-alaninate

- C19 H33 N O4 Sn -

- C76 H132 N4 O16 Sn4 -

4

1

FG1551

Parvez, Masood; Ali, Saqib; Bhatti, Moazzam Hussain; Khokhar, Muhammad Nawaz; Mazhar, Muhammad; Qureshi, Sajid Iqbal

Tri-n-butyl(N-maleoyl-β-alaninato)tin

Acta Crystallographica Section C

1,999

55

9

1427

1429

10.1107/S010827019900743X

0.71069

MoKα

0.107

0.039

null

0.141

null

1.02

null

has coordinates,has disorder

Parvez, Masood; Ali, Saqib; Bhatti, Moazzam Hussain; Khokhar, Muhammad Nawaz; Mazhar, Muhammad; Qureshi, Sajid Iqbal Tri-n-butyl(N-maleoyl-β-alaninato)tin Acta Crystallographica Section C 55(9) (1999) 1427-1429

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/88/2008893.cif $ #-------------------------------------------------------------------...

2,008,894

7.1458

0.0008

9.769

0.0012

11.886

0.002

110.784

0.01

96.074

0.011

101.302

0.01

746.65

0.19

293

2

293

2

null

3

P -1

-P 1

2

1,2,3,4,5,6,7,8-octahydro-3,3,6,6-tetramethylxanthen-1,8-dione

- C17 H22 O3 -

- C34 H44 O6 -

2

1

FR1174

Jeyakanthan, J.; Shanmuga Sundara Raj, S.; Velmurugan, D.; Hoong-Kun Fun; Murugan, P.

Two tetramethylxanthenediones

Acta Crystallographica Section C

1,999

55

9

1515

1517

10.1107/S0108270199006393

0.71073

MoKα

0.066

0.044

null

0.139

0.123

null

0.994

1.131

null

has coordinates

Jeyakanthan, J.; Shanmuga Sundara Raj, S.; Velmurugan, D.; Hoong-Kun Fun; Murugan, P. Two tetramethylxanthenediones Acta Crystallographica Section C 55(9) (1999) 1515-1517

301,791

2025-08-18

23:15:33

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/88/2008894.cif $ #-------------------------------------------------------------------...

2,008,895

26.581

0.002

10.094

0.001

19.624

0.002

90

null

128.75

0.01

90

null

4,106.3

0.9

293

2

293

2

null

4

C 1 2/c 1

-C 2yc

15

1,2,3,4,5,6,7,8-octahydro-3,3,6,6-tetramethyl-9-(2-nitrophenyl)xanthen-1,8- dione

- C23 H25 N O5 -

- C184 H200 N8 O40 -

8

1

FR1174

Jeyakanthan, J.; Shanmuga Sundara Raj, S.; Velmurugan, D.; Hoong-Kun Fun; Murugan, P.

Two tetramethylxanthenediones

Acta Crystallographica Section C

1,999

55

9

1515

1517

10.1107/S0108270199006393

0.71073

MoKα

0.156

0.043

null

0.107

0.081

null

0.74

0.986

null

has coordinates

Jeyakanthan, J.; Shanmuga Sundara Raj, S.; Velmurugan, D.; Hoong-Kun Fun; Murugan, P. Two tetramethylxanthenediones Acta Crystallographica Section C 55(9) (1999) 1515-1517

301,791

2025-08-18

23:15:33

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/88/2008895.cif $ #-------------------------------------------------------------------...

7,106,479

13.7868

0.0005

19.6213

0.0006

41.6885

0.0011

90

null

95.757

0.003

90

null

11,220.5

0.6

100

2

100

2

null

7

P 1 21 1

P 2yb

4

- C140 H261 Cr12 F18 Gd2 N3 O52 -

- C280 H522 Cr24 F36 Gd4 N6 O104 -

2

1

Andrew McRobbie; Asad R. Sarwar; Steven Yeninas; Harriott Nowell; Michael L. Baker; David Allan; Marshall Luban; Christopher A. Muryn; Robin G. Pritchard; Ruslan Prozorov; Grigore A. Timco; Floriana Tuna; George F. S. Whitehead; Richard E. P. Winpenny

Chromium Chains as Polydentate Fluoride Ligands for Lanthanides

Chem.Commun.

2,011

47

6251

10.1039/c1cc11516b

0.71073

MoKα

0.1673

0.1283

null

0.3273

0.352

null

1.051

null

has coordinates

Andrew McRobbie; Asad R. Sarwar; Steven Yeninas; Harriott Nowell; Michael L. Baker; David Allan; Marshall Luban; Christopher A. Muryn; Robin G. Pritchard; Ruslan Prozorov; Grigore A. Timco; Floriana Tuna; George F. S. Whitehead; Richard E. P. Winpenny Chromium Chains as Polydentate Fluoride Ligands for Lanthanides Chem...

180,168

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-26 03:05:44 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180168 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/10/64/7106479.cif $ #-------------------------------------------------------------------...

2,008,896

11.396

0.001

6.742

0.002

14.142

0.001

90

null

94.58

0.01

90

null

1,083.1

0.3

293

2

293

2

null

4

P 1 21/n 1

-P 2yn

14

1,3-dimethylisoguanine

- C7 H15 N5 O4 -

- C28 H60 N20 O16 -

4

1

FR1180

Gambardella, Maria Teresa do Prado; Dias, Ricardo Luis Araujo; Chehade, Claire Camargos; Berlinck, Roberto Gomes de Sousa

1,3-Dimethylisoguanine trihydrate

Acta Crystallographica Section C

1,999

55

9

1585

1587

10.1107/S010827019900640X

1.5418

CuKα

0.071

0.048

null

0.161

null

1.041

null

has coordinates

Gambardella, Maria Teresa do Prado; Dias, Ricardo Luis Araujo; Chehade, Claire Camargos; Berlinck, Roberto Gomes de Sousa 1,3-Dimethylisoguanine trihydrate Acta Crystallographica Section C 55(9) (1999) 1585-1587

301,791

2025-08-18

23:15:33

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/88/2008896.cif $ #-------------------------------------------------------------------...

2,008,897

6.9887

0.0002

10.7123

0.0002

20.4198

0.0004

90

null

90

null

90

null

1,528.73

0.06

293

2

293

2

null

4

P 21 21 21

P 2ac 2ab

19

1,2,3,4,5,6,7,8-Octahydro-3,3,6,6-tetramethylacridine-1,8-dione

- C17 H21 N O2 -

- C68 H84 N4 O8 -

4

1

FR1186

R. Sankaranarayanan; S. Shanmuga Sundara Raj; D. Velmurugan; Hoong-Kun Fun

1,2,3,4,5,6,7,8-Octahydro-3,3,6,6-tetramethylacridine-1,8-dione

Acta Crystallographica Section C

1,999

55

9

1513

1514

10.1107/S0108270199006149

0.71073

MoKα

0.078

0.051

null

0.118

null

1.094

null

has coordinates

R. Sankaranarayanan; S. Shanmuga Sundara Raj; D. Velmurugan; Hoong-Kun Fun 1,2,3,4,5,6,7,8-Octahydro-3,3,6,6-tetramethylacridine-1,8-dione Acta Crystallographica Section C 55(9) (1999) 1513-1514

301,791

2025-08-18

23:15:33

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/88/2008897.cif $ #-------------------------------------------------------------------...

2,008,898

8.843

0.003

14.085

0.005

15.638

0.005

90

null

90

null

90

null

1,947.8

1.1

293

2

293

2

null

5

P 21 21 21

P 2ac 2ab

19

(+)-(2S,7R,9R,10S)-2-Ethenyl-4,4,7- trimethyl-3-(toluene-4-sulfonyl)perhydro-1,3-benzoxazine

- C20 H29 N O3 S -

- C80 H116 N4 O12 S4 -

4

1

FR1189

Rochon, Fernande D.; Breau, Livain

(+)-(2S,7R,9R,10S)-2-Ethenyl-4,4,7-trimethyl-3-(toluene-4-sulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-1,3-benzoxazine

Acta Crystallographica Section C

1,999

55

9

1587

1589

10.1107/S0108270199006873

0.71073

MoKα

0.138

0.053

null

0.099

0.081

null

1.046

1.286

null

has coordinates

Rochon, Fernande D.; Breau, Livain (+)-(2S,7R,9R,10S)-2-Ethenyl-4,4,7-trimethyl-3-(toluene-4-sulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-1,3-benzoxazine Acta Crystallographica Section C 55(9) (1999) 1587-1589

301,791

2025-08-18

23:15:33

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/88/2008898.cif $ #-------------------------------------------------------------------...