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

2,012,460

3.7303

0.0002

7.6638

0.0004

22.6435

0.0013

90

null

90.369

0.002

90

null

647.33

0.06

150

2

150

2

null

4

P 1 21/n 1

-P 2yn

14

Phthalimide [1H-Isoindole-1,3(2H)-dione]

- C8 H5 N O2 -

- C32 H20 N4 O8 -

4

1

SK1520

Zakaria, Choudhury M.; Low, John N.; Glidewell, Christopher

Phthalimide at 120K: perforated molecular ribbons containing three different ring motifs

Acta Crystallographica Section C

2,002

58

1

o9

o10

10.1107/S0108270101018212

0.71073

MoKα

0.0705

0.0429

null

0.0927

0.1027

null

1.016

null

has coordinates

Zakaria, Choudhury M.; Low, John N.; Glidewell, Christopher Phthalimide at 120K: perforated molecular ribbons containing three different ring motifs Acta Crystallographica Section C 58(1) (2002) o9-o10

301,798

2025-08-19

6:41:50

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2,012,461

11.2891

0.0003

11.4128

0.0004

13.4504

0.0005

91.217

0.002

114.64

0.003

113.759

0.0015

1,403.88

0.1

120

1

120

1

null

3

P -1

-P 1

2

5-(3-(4-methylphenyl)-2-propenylidene]-2,2-dimethyl-[1,3] dioxane-4,6-dione

- C16 H16 O4 -

- C64 H64 O16 -

4

2

SK1522

Low, John Nicolson; Cobo, Justo; Nogueras, Manuel; Sánchez, Adolfo; Insuasty, Braulio; Torres, Harlen

Supramolecular structures of 5-[3-(4-methylphenyl)- and 5-[3-(4-chlorophenyl)-2-propenylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione

Acta Crystallographica Section C

2,002

58

1

o39

o41

10.1107/S0108270101018765

0.71073

MoKα

0.137

0.0622

null

0.1346

0.1653

null

0.96

null

has coordinates,has Fobs

Low, John Nicolson; Cobo, Justo; Nogueras, Manuel; Sánchez, Adolfo; Insuasty, Braulio; Torres, Harlen Supramolecular structures of 5-[3-(4-methylphenyl)- and 5-[3-(4-chlorophenyl)-2-propenylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione Acta Crystallographica Section C 58(1) (2002) o39-o41

301,798

2025-08-19

6:41:50

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2,012,462

7.2648

0.0002

7.4705

0.0003

13.5855

0.0006

90.1799

0.0013

99.8452

0.0014

109.576

0.003

683.01

0.05

120

1

120

0.1

null

4

P -1

-P 1

2

5-(3-(4-chlorophenyl)-2-propenylidene]-2,2-dimethyl-[1,3] dioxane-4,6-dione

- C15 H13 Cl O4 -

- C30 H26 Cl2 O8 -

2

1

SK1522

Low, John Nicolson; Cobo, Justo; Nogueras, Manuel; Sánchez, Adolfo; Insuasty, Braulio; Torres, Harlen

Supramolecular structures of 5-[3-(4-methylphenyl)- and 5-[3-(4-chlorophenyl)-2-propenylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione

Acta Crystallographica Section C

2,002

58

1

o39

o41

10.1107/S0108270101018765

0.71073

MoKα

0.0762

0.0525

null

0.1345

0.1531

null

0.982

null

has coordinates,has Fobs

Low, John Nicolson; Cobo, Justo; Nogueras, Manuel; Sánchez, Adolfo; Insuasty, Braulio; Torres, Harlen Supramolecular structures of 5-[3-(4-methylphenyl)- and 5-[3-(4-chlorophenyl)-2-propenylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione Acta Crystallographica Section C 58(1) (2002) o39-o41

176,760

2020-10-21

18:00:00

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2,012,463

13.3507

0.0001

16.8198

0.0002

17.6306

0.0002

90

null

113.641

0.0007

90

null

3,626.8

0.07

150

2

150

2

null

5

P 1 21/c 1

-P 2ybc

14

Ferrocene-1,1'-diylbis(diphenylmethanol)‒2,2'-dipyridylamine (1/1)

- C46 H39 Fe N3 O2 -

- C184 H156 Fe4 N12 O8 -

4

1

SK1523

Zakaria, Choudhury M; Ferguson, George; Lough, Alan J.; Glidewell, Christopher

Hydrogen-bonded adducts of ferrocene-1,1'-diylbis(diphenylmethanol): a finite cyclic 1:1adduct with 2,2'-dipyridylamine

Acta Crystallographica Section C

2,002

58

1

m5

m7

10.1107/S0108270101018844

0.71073

MoKα

0.0446

0.0363

null

0.0896

0.0948

null

1.041

null

has coordinates,has Fobs

Zakaria, Choudhury M; Ferguson, George; Lough, Alan J.; Glidewell, Christopher Hydrogen-bonded adducts of ferrocene-1,1'-diylbis(diphenylmethanol): a finite cyclic 1:1adduct with 2,2'-dipyridylamine Acta Crystallographica Section C 58(1) (2002) m5-m7

176,760

2020-10-21

18:00:00

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2,012,464

16.0822

0.0003

9.2422

0.0002

13.2718

0.0002

90

null

114.393

0.0008

90

null

1,796.57

0.06

173

1

173

1

null

5

C 1 2/c 1

-C 2yc

15

1,1,4,4-tetramethylpiperazinium pentabromothallate(III)

- C8 H20 Br5 N2 Tl -

- C32 H80 Br20 N8 Tl4 -

4

0.5

SK1524

Linden, Anthony; Petridis, Alexander; James, Bruce D.

A second polymorph of 1,1,4,4-tetramethylpiperazinium pentabromothallate(III)

Acta Crystallographica Section C

2,002

58

1

m53

m55

10.1107/S0108270101019746

0.71073

MoKα

0.0349

0.0292

null

0.066

0.0678

null

1.061

null

has coordinates,has Fobs

Linden, Anthony; Petridis, Alexander; James, Bruce D. A second polymorph of 1,1,4,4-tetramethylpiperazinium pentabromothallate(III) Acta Crystallographica Section C 58(1) (2002) m53-m55

176,760

2020-10-21

18:00:00

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2,012,465

10.179

0.004

7.933

0.002

23.776

0.006

90

null

94.244

0.019

90

null

1,914.6

1

293

2

293

2

null

5

P 1 21/n 1

-P 2yn

14

6,20-bis(2-hydroxyethyl)-6,20-diaza-3,9,17,23-hexaazoniatricyclo- [23.3.1.1.^11,15^]triaconta-1(29),11(30),12,14,25,27-hexaene tetrabromide tetrahydrate

- C28 H58 Br4 N6 O6 -

- C56 H116 Br8 N12 O12 -

2

0.5

TA1341

Yang, De-Xi; Li, Shu-An; Li, Dong-Feng; Tang, Wen-Xia

A novel binucleating macrocyclic ligand with two alcohol pendants

Acta Crystallographica Section C

2,002

58

1

o11

o13

10.1107/S0108270101016146

0.71073

MoKα

0.1058

0.0469

null

0.0984

0.1222

null

1.004

null

has coordinates,has Fobs

Yang, De-Xi; Li, Shu-An; Li, Dong-Feng; Tang, Wen-Xia A novel binucleating macrocyclic ligand with two alcohol pendants Acta Crystallographica Section C 58(1) (2002) o11-o13

301,798

2025-08-19

6:41:50

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2,012,466

24.066

0.002

10.017

0.001

7.608

0.001

90

null

101.35

0.01

90

null

1,798.2

0.3

295

2

295

2

null

3

C 1 2 1

C 2y

5

Macrocalyxin I

2-[1,2,3,4,4a,4b,5,6,7,8,8a,9-dodecahydro-7-hydroxy-4b,8,8-trimethylphenanthren- 2-yl]propenoic acid

- C20 H30 O3 -

- C80 H120 O12 -

4

1

TA1347

Shi, Hao; Pan, Yuan Jiang

Macrocalyxin I

Acta Crystallographica Section C

2,002

58

1

o55

o56

10.1107/S0108270101018625

0.71073

MoKα

0.0576

0.04

null

0.0907

0.0968

null

0.98

null

has coordinates

Shi, Hao; Pan, Yuan Jiang Macrocalyxin I Acta Crystallographica Section C 58(1) (2002) o55-o56

301,798

2025-08-19

6:41:50

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2,012,467

11.7051

0.0005

8.0381

0.0003

19.8739

0.0007

90

null

92.879

0.002

90

null

1,867.51

0.12

293

2

293

2

null

5

P 1 21/c 1

-P 2ybc

14

- C18 H18 Fe N3 O8 -

- C72 H72 Fe4 N12 O32 -

4

1

TA1352

Yaoyu Feng,; Ong, Say-Leong; Hu, Jiangyong; Ng, Wun-Jern

Aqua(nitrilotriacetato)(1,10-phenanthroline)iron(III) monohydrate: a seven-coordinate iron(III) complex

Acta Crystallographica Section C

2,002

58

1

m34

m35

10.1107/S0108270101017036

0.71073

MoKα

0.0743

0.04

null

0.087

0.0975

null

1.023

null

has coordinates,has Fobs

Yaoyu Feng,; Ong, Say-Leong; Hu, Jiangyong; Ng, Wun-Jern Aqua(nitrilotriacetato)(1,10-phenanthroline)iron(III) monohydrate: a seven-coordinate iron(III) complex Acta Crystallographica Section C 58(1) (2002) m34-m35

301,798

2025-08-19

6:41:50

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2,012,468

8.154

0.001

8.602

0.003

15.005

0.004

90

null

102.47

0.02

90

null

1,027.6

0.5

293

2

293

2

null

4

P 1 21 1

P 2yb

4

3-methoxy-17-oxo-17-phenyl-16,17-secoestra-1,3,5(10)-triene-16-carbonitrile

- C25 H27 N O2 -

- C24.982 H27 N O2 -

- C49.964 H54 N2 O4 -

2

1

AV1086

Lazar, Dušan; Stanković, Slobodanka; Pejanović, Vjera; Courseille, Christiane

D-Secoestrone derivatives. V. 3-Methoxy-17-oxo-17-phenyl-16,17-secoestra-1,3,5(10)-triene-16-nitrile and 17-hydroxy-3-methoxy-17-phenyl-16,17-secoestra-1,3,5(10)-triene-16-nitrile

Acta Crystallographica Section C

2,002

58

2

o63

o65

10.1107/S0108270101018182

1.54178

CuKα

0.107

0.061

null

0.133

0.15

null

1.184

null

has coordinates,has disorder,has Fobs

Lazar, Dušan; Stanković, Slobodanka; Pejanović, Vjera; Courseille, Christiane D-Secoestrone derivatives. V. 3-Methoxy-17-oxo-17-phenyl-16,17-secoestra-1,3,5(10)-triene-16-nitrile and 17-hydroxy-3-methoxy-17-phenyl-16,17-secoestra-1,3,5(10)-triene-16-nitrile Acta Crystallographica Section C 58(2) (2002) o...

176,760

2020-10-21

18:00:00

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2,012,469

9.8063

0.0005

6.697

0.001

16.201

0.001

90

null

101.455

0.005

90

null

1,042.77

0.18

293

2

293

2

null

4

P 1 21 1

P 2yb

4

17-hydroxy-3-methoxy-17-phenyl-16,17-secoestra-1,3,5(10)-triene-16-carbonitrile

- C25 H29 N O2 -

- C50 H58 N2 O4 -

2

1

AV1086

Lazar, Dušan; Stanković, Slobodanka; Pejanović, Vjera; Courseille, Christiane

D-Secoestrone derivatives. V. 3-Methoxy-17-oxo-17-phenyl-16,17-secoestra-1,3,5(10)-triene-16-nitrile and 17-hydroxy-3-methoxy-17-phenyl-16,17-secoestra-1,3,5(10)-triene-16-nitrile

Acta Crystallographica Section C

2,002

58

2

o63

o65

10.1107/S0108270101018182

1.54178

CuKα

0.044

0.039

null

0.093

0.1

null

0.957

null

has coordinates

Lazar, Dušan; Stanković, Slobodanka; Pejanović, Vjera; Courseille, Christiane D-Secoestrone derivatives. V. 3-Methoxy-17-oxo-17-phenyl-16,17-secoestra-1,3,5(10)-triene-16-nitrile and 17-hydroxy-3-methoxy-17-phenyl-16,17-secoestra-1,3,5(10)-triene-16-nitrile Acta Crystallographica Section C 58(2) (2002) o...

301,798

2025-08-19

6:41:50

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2,012,470

9.0336

0.0018

10.63

0.002

10.717

0.002

90

null

108.78

0.03

90

null

974.3

0.4

293

2

293

2

null

5

P 1 21/n 1

-P 2yn

14

bis[tris(2-aminoethyl)amine]nickel(II) dichoride

- C12 H36 Cl2 N8 Ni -

- C24 H72 Cl4 N16 Ni2 -

2

0.5

AV1089

Ellermeier, Jan; Stähler, Ralph; Bensch, Wolfgang

Two new [Ni(tren)~2~]^2+^ complexes: [Ni(tren)~2~]Cl~2~ and [Ni(tren)~2~]WS~4~

Acta Crystallographica Section C

2,002

58

2

m70

m73

10.1107/S0108270101015992

0.71073

MoKα

0.0913

0.0328

null

0.0633

0.0728

null

1.012

null

has coordinates,has Fobs

Ellermeier, Jan; Stähler, Ralph; Bensch, Wolfgang Two new [Ni(tren)~2~]^2+^ complexes: [Ni(tren)~2~]Cl~2~ and [Ni(tren)~2~]WS~4~ Acta Crystallographica Section C 58(2) (2002) m70-m73

301,798

2025-08-19

6:41:50

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2,012,471

10.147

0.002

11.852

0.002

19.122

0.004

90

null

104.44

0.03

90

null

2,227

0.8

293

2

293

2

null

6

P 1 21/c 1

-P 2ybc

14

bis[tris(2-aminoethyl)amine]nickel(II) tetrathiotungstate

- C12 H36 N8 Ni S4 W -

- C48 H144 N32 Ni4 S16 W4 -

4

1

AV1089

Ellermeier, Jan; Stähler, Ralph; Bensch, Wolfgang

Two new [Ni(tren)~2~]^2+^ complexes: [Ni(tren)~2~]Cl~2~ and [Ni(tren)~2~]WS~4~

Acta Crystallographica Section C

2,002

58

2

m70

m73

10.1107/S0108270101015992

0.71073

MoKα

0.0339

0.0214

null

0.0501

0.0526

null

1.026

null

has coordinates,has Fobs

Ellermeier, Jan; Stähler, Ralph; Bensch, Wolfgang Two new [Ni(tren)~2~]^2+^ complexes: [Ni(tren)~2~]Cl~2~ and [Ni(tren)~2~]WS~4~ Acta Crystallographica Section C 58(2) (2002) m70-m73

301,798

2025-08-19

6:41:50

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2,012,472

17.643

0.004

14.466

0.002

10.481

0.003

90

null

90

null

90

null

2,675

1

294

2

294

2

null

5

C m c 21

C 2c -2

36

triferrocenylboroxine

- C30 H27 B3 Fe3 O3 -

- C120 H108 B12 Fe12 O12 -

4

0.5

AV1093

Bats, Jan W.; Ma, Kuangbiao; Wagner, Matthias

Isomorphism and phase transition in~triferrocenylboroxine and triferrocenylborazine

Acta Crystallographica Section C

2,002

58

2

m129

m132

10.1107/S0108270101019679

0.71073

MoKα

0.0643

0.0392

null

0.0959

0.108

null

1.122

null

has coordinates,has Fobs

Bats, Jan W.; Ma, Kuangbiao; Wagner, Matthias Isomorphism and phase transition in~triferrocenylboroxine and triferrocenylborazine Acta Crystallographica Section C 58(2) (2002) m129-m132

176,760

2020-10-21

18:00:00

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2,012,473

17.895

0.003

14.792

0.003

10.4806

0.0018

90

null

90

null

90

null

2,774.2

0.9

294

2

294

2

null

5

C m c 21

C 2c -2

36

triferrocenylborazine

- C30 H30 B3 Fe3 N3 -

- C120 H120 B12 Fe12 N12 -

4

0.5

AV1093

Bats, Jan W.; Ma, Kuangbiao; Wagner, Matthias

Isomorphism and phase transition in~triferrocenylboroxine and triferrocenylborazine

Acta Crystallographica Section C

2,002

58

2

m129

m132

10.1107/S0108270101019679

0.71073

MoKα

0.1097

0.0516

null

0.0919

0.1113

null

1.106

null

has coordinates,has Fobs

Bats, Jan W.; Ma, Kuangbiao; Wagner, Matthias Isomorphism and phase transition in~triferrocenylboroxine and triferrocenylborazine Acta Crystallographica Section C 58(2) (2002) m129-m132

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/24/2012473.cif $ #-------------------------------------------------------------------...

2,012,474

10.896

0.003

10.345

0.004

11.709

0.005

90

null

100.213

0.018

90

null

1,298.9

0.8

154

2

154

2

null

5

P 1 21 1

P 2yb

4

triferrocenylboroxine

- C30 H27 B3 Fe3 O3 -

- C60 H54 B6 Fe6 O6 -

2

1

AV1093

Bats, Jan W.; Ma, Kuangbiao; Wagner, Matthias

Isomorphism and phase transition in~triferrocenylboroxine and triferrocenylborazine

Acta Crystallographica Section C

2,002

58

2

m129

m132

10.1107/S0108270101019679

0.71073

MoKα

0.0978

0.0799

null

0.1978

0.2103

null

1.249

null

has coordinates,has Fobs

Bats, Jan W.; Ma, Kuangbiao; Wagner, Matthias Isomorphism and phase transition in~triferrocenylboroxine and triferrocenylborazine Acta Crystallographica Section C 58(2) (2002) m129-m132

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/24/2012474.cif $ #-------------------------------------------------------------------...

2,012,475

25.6848

0.0018

9.7131

0.001

10.5531

0.0013

90

null

111.63

0.006

90

null

2,447.4

0.4

100

2

100

2

null

3

C 1 2/c 1

-C 2yc

15

- C26 H34 O8 -

- C104 H136 O32 -

4

0.5

AV1094

Masci, Bernardo; Nierlich, Martine; Thuéry, Pierre

2,3,6,7-Tetrahydroxy-9,10-dimethyl-9,10-dihydro-9,10-ethanoanthracene bis(1,4-dioxane) solvate

Acta Crystallographica Section C

2,002

58

2

o86

o87

10.1107/S0108270101019035

0.71073

MoKα

0.0686

0.0463

null

0.102

0.1125

null

1.055

null

has coordinates,has Fobs

Masci, Bernardo; Nierlich, Martine; Thuéry, Pierre 2,3,6,7-Tetrahydroxy-9,10-dimethyl-9,10-dihydro-9,10-ethanoanthracene bis(1,4-dioxane) solvate Acta Crystallographica Section C 58(2) (2002) o86-o87

301,798

2025-08-19

6:41:50

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2,012,476

15.6688

0.001

9.6025

0.0005

9.5303

0.0007

90

null

90

null

90

null

1,433.93

0.16

100

2

100

2

null

5

P m n 21

P 2ac -2

31

- C24 H38 N2 O12 U -

- C48 H76 N4 O24 U2 -

2

0.5

AV1095

Thuéry, Pierre; Nierlich, Martine; Masci, Bernardo

First- and second-~sphere coordination of the uranyl ion by bis[2-(2-hydroxyphenoxy)ethoxy]ethane

Acta Crystallographica Section C

2,002

58

2

m84

m86

10.1107/S0108270101019047

0.71073

MoKα

0.0443

0.0388

null

0.0889

0.0911

null

1.203

null

has coordinates,has Fobs

Thuéry, Pierre; Nierlich, Martine; Masci, Bernardo First- and second-~sphere coordination of the uranyl ion by bis[2-(2-hydroxyphenoxy)ethoxy]ethane Acta Crystallographica Section C 58(2) (2002) m84-m86

301,798

2025-08-19

6:41:50

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2,012,477

7.8072

0.0005

11.0636

0.0008

17.9361

0.0009

90

null

90

null

90

null

1,549.24

0.17

150

2

150

2

null

4

P 21 21 21

P 2ac 2ab

19

Diaquabis ((R,R)-tartrato-O^1^,O^2^:O^3^,O^4^)dinickel(II) Trihydrate

- C8 H18 Ni2 O17 -

- C32 H72 Ni8 O68 -

4

1

AV1097

Scherb, Sandra; Näther, Christian; Bensch, Wolfgang

Diaquabis[μ-(R,R)-tartrato-κ^4^O^1^,O^2^:O^3^,O^4^]dinickel(II) trihydrate

Acta Crystallographica Section C

2,002

58

2

m135

m136

10.1107/S0108270101021059

0.71073

MoKα

0.0243

0.0238

null

0.0627

0.063

null

1.055

null

has coordinates,has Fobs

Scherb, Sandra; Näther, Christian; Bensch, Wolfgang Diaquabis[μ-(R,R)-tartrato-κ^4^O^1^,O^2^:O^3^,O^4^]dinickel(II) trihydrate Acta Crystallographica Section C 58(2) (2002) m135-m136

198,633

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-07-11 15:10:40 +0300 (Tue, 11 Jul 2017) $ #$Revision: 198633 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/24/2012477.cif $ #-------------------------------------------------------------------...

2,012,478

6.5676

0.0007

17.2459

0.0018

15.7394

0.0016

90

null

96.803

0.01

90

null

1,770.2

0.3

193

2

193

2

null

6

P 1 21/n 1

-P 2yn

14

(Z)-2-methylbut-1-en-1-yl-(4-trifluoromethylphenyl)iodonium trifluoromethanesulfonate

- C13 H13 F6 I O3 S -

- C52 H52 F24 I4 O12 S4 -

4

1

BK1616

Hinkle, Robert J.; McDonald, Robert

(Z)-2-Methylbuten-1-yl(aryl)iodonium trifluoromethanesulfonates containing electron-withdrawing groups on the aryl moiety

Acta Crystallographica Section C

2,002

58

2

o117

o121

10.1107/S0108270101019084

0.71073

MoKα

0.059

0.049

null

0.134

0.144

null

1.035

null

has coordinates,has disorder,has Fobs

Hinkle, Robert J.; McDonald, Robert (Z)-2-Methylbuten-1-yl(aryl)iodonium trifluoromethanesulfonates containing electron-withdrawing groups on the aryl moiety Acta Crystallographica Section C 58(2) (2002) o117-o121

301,798

2025-08-19

6:41:50

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2,012,479

9.1705

0.001

13.4357

0.0015

15.603

0.0017

69.245

0.01

88.342

0.01

74.358

0.01

1,726.4

0.4

193

2

193

2

null

7

P -1

-P 1

2

(Z)-2-methylbut-1-en-1-yl-(3,5-dichlorophenyl)iodonium trifluoromethanesulfonate

- C12 H12 Cl2 F3 I O3 S -

- C48 H48 Cl8 F12 I4 O12 S4 -

4

2

BK1616

Hinkle, Robert J.; McDonald, Robert

(Z)-2-Methylbuten-1-yl(aryl)iodonium trifluoromethanesulfonates containing electron-withdrawing groups on the aryl moiety

Acta Crystallographica Section C

2,002

58

2

o117

o121

10.1107/S0108270101019084

0.71073

MoKα

0.104

0.059

null

0.133

0.152

null

0.955

null

has coordinates,has Fobs

Hinkle, Robert J.; McDonald, Robert (Z)-2-Methylbuten-1-yl(aryl)iodonium trifluoromethanesulfonates containing electron-withdrawing groups on the aryl moiety Acta Crystallographica Section C 58(2) (2002) o117-o121

301,798

2025-08-19

6:41:50

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2,012,480

12.5807

0.0013

13.2381

0.0014

13.6567

0.0014

81.854

0.01

72.429

0.01

79.851

0.01

2,124.9

0.4

193

2

193

2

null

7

P -1

-P 1

2

bis{(Z)-2-methylbut-1-en-1-yl-[3,5-bis(trifluoromethyl)phenyl]iodonium} bis(trifluoromethanesulfonate) dichloromethane solvate

- C29 H26 Cl2 F18 I2 O6 S2 -

- C58 H52 Cl4 F36 I4 O12 S4 -

2

1

BK1616

Hinkle, Robert J.; McDonald, Robert

(Z)-2-Methylbuten-1-yl(aryl)iodonium trifluoromethanesulfonates containing electron-withdrawing groups on the aryl moiety

Acta Crystallographica Section C

2,002

58

2

o117

o121

10.1107/S0108270101019084

0.71073

MoKα

0.043

0.032

null

0.074

0.078

null

0.969

null

has coordinates,has disorder,has Fobs

Hinkle, Robert J.; McDonald, Robert (Z)-2-Methylbuten-1-yl(aryl)iodonium trifluoromethanesulfonates containing electron-withdrawing groups on the aryl moiety Acta Crystallographica Section C 58(2) (2002) o117-o121

301,798

2025-08-19

6:41:50

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2,012,481

12.731

0.003

4.216

0.0008

26.64

0.005

90

null

96.87

0.03

90

null

1,419.6

0.5

298

2

298

2

null

3

P 1 21/c 1

-P 2ybc

14

2-(9-ethyl-9H-carbazol-3-ylmethylene)malononitrile

- C18 H13 N3 -

- C72 H52 N12 -

4

1

BM1472

Nesterov, Vladimir N.; Montoya, Nicole G.; Antipin, Mikhail Yu.; Sanghadasa, Mohan; Clark, Ronald D.; Timofeeva, Tatiana V.

Three polar derivatives of N-ethylcarbazole: materials for optical applications

Acta Crystallographica Section C

2,002

58

2

o72

o75

10.1107/S0108270101020170

0.71073

MoKα

0.125

0.062

null

0.131

0.156

null

1.004

null

has coordinates,has Fobs

Nesterov, Vladimir N.; Montoya, Nicole G.; Antipin, Mikhail Yu.; Sanghadasa, Mohan; Clark, Ronald D.; Timofeeva, Tatiana V. Three polar derivatives of N-ethylcarbazole: materials for optical applications Acta Crystallographica Section C 58(2) (2002) o72-o75

301,798

2025-08-19

6:41:50

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2,012,482

8.437

0.0017

8.75

0.0017

12.3

0.003

79.82

0.03

76.82

0.03

63.76

0.03

790

0.4

298

2

298

2

null

4

P -1

-P 1

2

2-cyano-3-(9-ethyl-9H-carbazol-3-yl)thioacrylamide

- C18 H15 N3 S -

- C36 H30 N6 S2 -

2

1

BM1472

Nesterov, Vladimir N.; Montoya, Nicole G.; Antipin, Mikhail Yu.; Sanghadasa, Mohan; Clark, Ronald D.; Timofeeva, Tatiana V.

Three polar derivatives of N-ethylcarbazole: materials for optical applications

Acta Crystallographica Section C

2,002

58

2

o72

o75

10.1107/S0108270101020170

0.71073

MoKα

0.051

0.039

null

0.106

0.114

null

1.046

null

has coordinates,has Fobs

Nesterov, Vladimir N.; Montoya, Nicole G.; Antipin, Mikhail Yu.; Sanghadasa, Mohan; Clark, Ronald D.; Timofeeva, Tatiana V. Three polar derivatives of N-ethylcarbazole: materials for optical applications Acta Crystallographica Section C 58(2) (2002) o72-o75

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/24/2012482.cif $ #-------------------------------------------------------------------...

2,012,483

19.384

0.005

16.456

0.004

6.5323

0.0017

90

null

95.637

0.019

90

null

2,073.6

0.9

155

2

155

2

null

4

P 1 21/c 1

-P 2ybc

14

3-(9-ethyl-9H-carbazol-3-yl)-2-(4-phenyl-1,3-thiazol-2-yl)acrylonitrile

- C26 H19 N3 S -

- C104 H76 N12 S4 -

4

1

BM1472

Nesterov, Vladimir N.; Montoya, Nicole G.; Antipin, Mikhail Yu.; Sanghadasa, Mohan; Clark, Ronald D.; Timofeeva, Tatiana V.

Three polar derivatives of N-ethylcarbazole: materials for optical applications

Acta Crystallographica Section C

2,002

58

2

o72

o75

10.1107/S0108270101020170

0.71073

MoKα

0.082

0.043

null

0.107

0.112

null

0.917

null

has coordinates,has Fobs

Nesterov, Vladimir N.; Montoya, Nicole G.; Antipin, Mikhail Yu.; Sanghadasa, Mohan; Clark, Ronald D.; Timofeeva, Tatiana V. Three polar derivatives of N-ethylcarbazole: materials for optical applications Acta Crystallographica Section C 58(2) (2002) o72-o75

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/24/2012483.cif $ #-------------------------------------------------------------------...

2,012,484

26.454

0.003

14.499

0.003

14.517

0.003

90

null

120.276

0.01

90

null

4,808.6

1.6

296

2

296

2

null

8

C 1 2/c 1

-C 2yc

15

[Co(dtc)~2~{P(OMe)~2~Ph}]~2~(PF~6~)~2~

Bis[bis(dimethyldithiocarbamato)(dimethylphenylphosphonito)cobalt(III)] Bis(hexafluorophosphate)

- C28 H46 Co2 F12 N4 O4 P4 S8 -

- C112 H184 Co8 F48 N16 O16 P16 S32 -

4

0.5

BM1475

Suzuki, Takayoshi; Takagi, Hideo D.; Kashiwabara, Kazuo

Bis(μ-N,N-dimethyldithiocarbamato-κ^3^S,S':S')bis[(dimethoxyphenylphosphane-κP)(N,N-dimethyldithiocarbamato-κ^2^S,S')cobalt(III)] bis(hexafluorophosphate)

Acta Crystallographica Section C

2,002

58

2

m95

m97

10.1107/S0108270101018406

0.71069

MoKα

0.1298

0.0469

null

0.1377

0.1643

null

1.036

null

has coordinates,has Fobs

Suzuki, Takayoshi; Takagi, Hideo D.; Kashiwabara, Kazuo Bis(μ-N,N-dimethyldithiocarbamato-κ^3^S,S':S')bis[(dimethoxyphenylphosphane-κP)(N,N-dimethyldithiocarbamato-κ^2^S,S')cobalt(III)] bis(hexafluorophosphate) Acta Crystallographica Section C 58(2) (2002) m95-m97

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/24/2012484.cif $ #-------------------------------------------------------------------...

2,012,485

18.6227

0.0001

14.2708

0.0001

17.5255

0.0001

90

null

91.65

0.001

90

null

4,655.66

0.05

293

2

293

2

null

6

P 1 21/c 1

-P 2ybc

14

catena-Poly[[[tetrakis(1-methylimidazole-κN^3^)copper(II)]-μ^2^-sulfato-O:O'] acetonitrile hemisolvate sesquihydrate]

- C17 H28.5 Cu N8.5 O5.5 S -

- C136 H228 Cu8 N68 O44 S8 -

8

2

BM1479

Castro, Jesús; Pérez Lourido, Paulo; Sousa-Pedrares, Antonio; Labisbal, Elena; Carabel, Maximiliano; García-Vázquez, José Arturo

catena-Poly[[[tetrakis(1-methylimidazole-κN^3^)copper(II)]-μ^2^-sulfato-κ^2^O:O'] acetonitrile hemisolvate sesquihydrate]

Acta Crystallographica Section C

2,002

58

2

m65

m67

10.1107/S0108270101019825

0.71073

MoKα

0.042

0.032

null

0.073

0.077

null

1.049

null

has coordinates,has Fobs

Castro, Jesús; Pérez Lourido, Paulo; Sousa-Pedrares, Antonio; Labisbal, Elena; Carabel, Maximiliano; García-Vázquez, José Arturo catena-Poly[[[tetrakis(1-methylimidazole-κN^3^)copper(II)]-μ^2^-sulfato-κ^2^O:O'] acetonitrile hemisolvate sesquihydrate] Acta Crystallographica Section C 58(2) (2...

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/24/2012485.cif $ #-------------------------------------------------------------------...

2,012,486

9.086

0.0004

13.055

0.0006

17.7367

0.0006

90

null

90.084

0.003

90

null

2,103.88

0.15

180

2

180

2

null

4

P 1 21/c 1

-P 2ybc

14

triacetone amine monohydrate

2,2,6,6-tetramethylpiperidin-4-one monohydrate

- C9 H19 N O2 -

- C72 H152 N8 O16 -

8

2

BM1480

Bond, Andrew D.

Redetermination of the twinned structure of triacetone amine monohydrate

Acta Crystallographica Section C

2,002

58

2

o115

o116

10.1107/S0108270101021527

0.7107

MoKα

0.075

0.053

null

0.126

0.139

null

1.042

null

has coordinates,has Fobs

Bond, Andrew D. Redetermination of the twinned structure of triacetone amine monohydrate Acta Crystallographica Section C 58(2) (2002) o115-o116

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/24/2012486.cif $ #-------------------------------------------------------------------...

2,012,487

8.9927

0.0012

9.4979

0.0013

13.0245

0.0014

72.44

0.002

69.285

0.003

73.023

0.003

970.4

0.2

301

2

null

7

P -1

-P 1

2

- C36 H36 Cl4 Cu2 Hg2 N4 O4 -

1

0.5

BR1346

Ercan, Ismail; Ercan, Filiz; Arici, Cengiz; Atakol, Orhan

Bis{[μ-N,N'-bis(salicylidene)-1,4-butanediamine-N,N',O,O'-copper(II)]-μ-chloro-chloromercury(II)}

Acta Crystallographica Section C

2,002

58

2

m137

m138

10.1107/S0108270101019709

0.71073

MoKα

null

0.057

null

0.1487

null

1.086

null

has coordinates

Ercan, Ismail; Ercan, Filiz; Arici, Cengiz; Atakol, Orhan Bis{[μ-N,N'-bis(salicylidene)-1,4-butanediamine-N,N',O,O'-copper(II)]-μ-chloro-chloromercury(II)} Acta Crystallographica Section C 58(2) (2002) m137-m138

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/24/2012487.cif $ #-------------------------------------------------------------------...

2,012,488

6.505

0.002

7.201

0.003

7.605

0.003

91.82

0.03

92.17

0.03

111.33

0.03

331.2

0.2

293

2

293

2

null

4

P -1

-P 1

2

Dilead mercury chromate(VI)

- Cr Hg O6 Pb2 -

- Cr2 Hg2 O12 Pb4 -

2

1

BR1350

Klein, W.; Curda, J.; Friese, K.; Jansen, M.

Dilead mercury chromate(VI), Pb~2~HgCrO~6~

Acta Crystallographica Section C

2,002

58

2

i23

i24

10.1107/S010827010102087X

0.71069

MoKα

0.053

0.049

null

0.123

0.127

null

0.973

null

has coordinates,has Fobs

Klein, W.; Curda, J.; Friese, K.; Jansen, M. Dilead mercury chromate(VI), Pb~2~HgCrO~6~ Acta Crystallographica Section C 58(2) (2002) i23-i24

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/24/2012488.cif $ #-------------------------------------------------------------------...

2,012,489

11.405

0.011

21.545

0.005

28.893

0.016

90

null

97.73

0.06

90

null

7,035

8

293

2

293

2

null

4

P 1 21/c 1

-P 2ybc

14

6-Propylamino-2,6-propylepimino-2,4,4,8,8-pentakis(pyrrolidin-1-yl)- 1,3,5,7,2λ^5^,4λ^5^,6λ^5^,8λ^5^-tetraazatetraphosphorocine

- C26 H55 N11 P4 -

- C208 H440 N88 P32 -

8

2

DA1202

Işıklan, Muhammed; Kılıç, Zeynel

6-Propylamino-2,6-propylepimino-2,4,4,8,8-pentakis(pyrrolidin-1-yl)-1,3,5,7,2λ^5^,4λ^5^,6λ^5^,8λ^5^-tetraazatetraphosphorocine

Acta Crystallographica Section C

2,002

58

2

o80

o83

10.1107/S0108270101019151

0.71073

MoKα

0.141

0.051

null

0.111

0.121

null

1.031

null

has coordinates,has disorder,has Fobs

Işıklan, Muhammed; Kılıç, Zeynel 6-Propylamino-2,6-propylepimino-2,4,4,8,8-pentakis(pyrrolidin-1-yl)-1,3,5,7,2λ^5^,4λ^5^,6λ^5^,8λ^5^-tetraazatetraphosphorocine Acta Crystallographica Section C 58(2) (2002) o80-o83

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/24/2012489.cif $ #-------------------------------------------------------------------...

2,012,490

7.0052

0.0007

9.051

0.0009

14.021

0.002

103.51

0.005

98.776

0.005

91.83

0.004

852.15

0.17

180.2

null

180.2

null

7

P -1

-P 1

2

- C15 H20 F Mo N O2 Si -

- C30 H40 F2 Mo2 N2 O4 Si2 -

2

1

DA1210

Hayton, Trevor W.; Legzdins, Peter; Rettig, Steven J.

(η^5^-Cyclopentadienyl)(p-fluorophenoxo)(nitrosyl)(trimethylsilylmethyl)molybdenum(II)

Acta Crystallographica Section C

2,002

58

2

m68

m69

10.1107/S0108270101019382

0.7107

MoKα

0.0546

0.029

null

0.0718

null

0.0718

null

0.861

null

0.861

null

has coordinates

Hayton, Trevor W.; Legzdins, Peter; Rettig, Steven J. (η^5^-Cyclopentadienyl)(p-fluorophenoxo)(nitrosyl)(trimethylsilylmethyl)molybdenum(II) Acta Crystallographica Section C 58(2) (2002) m68-m69

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/24/2012490.cif $ #-------------------------------------------------------------------...

2,012,491

13.343

0.0003

5.756

0.0003

7.273

0.0006

90

null

104.753

0.003

90

null

540.17

0.05

100

null

4

P 1 21/c 1

-P 2ybc

14

2-amino-5-thiolpyridine

- C5 H6 N2 S -

- C5 H5 N2 S -

- C20 H20 N8 S4 -

4

1

DA1211

Sabino, J. R.; da Silva, C. H. T. P.; Yonashiro, M.

6-Aminopyridine-3-thiol

Acta Crystallographica Section C

2,002

58

2

o78

o79

10.1107/S0108270101020352

0.71073

MoKα

0.05

0.036

null

0.091

0.1

null

1.053

null

has coordinates

Sabino, J. R.; da Silva, C. H. T. P.; Yonashiro, M. 6-Aminopyridine-3-thiol Acta Crystallographica Section C 58(2) (2002) o78-o79

176,760

2020-10-21

18:00:00

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2,012,492

27.742

0.002

7.8344

0.0016

16.2658

0.0018

90

null

125.679

0.005

90

null

2,871.7

0.7

298

2

298

2

null

5

C 1 2/c 1

-C 2yc

15

fac-Re(CO)~3~(dpkO,OH)

fac-Tricarbonyl[hydroxybis(2-pyridyl)methanolato-κ^3^N,O,N')rhenium(I)

- C14 H9 N2 O5 Re -

- C112 H72 N16 O40 Re8 -

8

1

DA1212

Bakir, Mohammed

fac-Tricarbonyl[hydroxybis(2-pyridyl)methanolato-κ^3^N,O,N']rhenium(I)

Acta Crystallographica Section C

2,002

58

2

m74

m76

10.1107/S0108270101019527

0.71073

MoKα

0.032

0.029

null

0.09

0.093

null

1.017

null

has coordinates,has Fobs

Bakir, Mohammed fac-Tricarbonyl[hydroxybis(2-pyridyl)methanolato-κ^3^N,O,N']rhenium(I) Acta Crystallographica Section C 58(2) (2002) m74-m76

176,760

2020-10-21

18:00:00

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2,012,493

18.8609

0.0003

15.4691

0.0004

11.601

0.0002

90

null

123.145

0.009

90

null

2,834

0.3

173

2

173

2

null

6

C 1 2/c 1

-C 2yc

15

[(1,4,8,11-tetraazacyclotetradeca-1,4,8,11-tetrayl)tetraacetamide- κ^6^N^1^,N^4^,N^8^,N^11^,O^1^,O^8^]copper(II) sulfate 4.5-hydrate

- C18 H45 Cu N8 O12.5 S -

- C72 H180 Cu4 N32 O50 S4 -

4

0.5

DN1005

Espinosa, Enrique; Meyer, Michel; Berard, David; Guilard, Roger

[(1,4,8,11-Tetraazacyclotetradeca-1,4,8,11-tetrayl)tetraacetamide-κ^6^N^1^,N^4^,N^8^,N^11^,O^1^,O^8^]copper(II) sulfate 4.5-hydrate

Acta Crystallographica Section C

2,002

58

2

m119

m121

10.1107/S0108270101021060

0.71073

MoKα

0.04

0.037

null

0.111

0.113

null

1.093

null

has coordinates,has Fobs

Espinosa, Enrique; Meyer, Michel; Berard, David; Guilard, Roger [(1,4,8,11-Tetraazacyclotetradeca-1,4,8,11-tetrayl)tetraacetamide-κ^6^N^1^,N^4^,N^8^,N^11^,O^1^,O^8^]copper(II) sulfate 4.5-hydrate Acta Crystallographica Section C 58(2) (2002) m119-m121

301,798

2025-08-19

6:41:50

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2,012,494

7.2389

0.0014

11.2125

0.0014

12.7427

0.0015

90

null

90

null

90

null

1,034.3

0.3

298

2

298

2

null

4

P 21 21 21

P 2ac 2ab

19

1R,3S-camphoramic acid

3-aminocarbonyl-1,2,2-trimethylcyclopentane-1-carboxylic acid

- C10 H17 N O3 -

- C40 H68 N4 O12 -

4

1

FR1358

Nie, Jing-Jing; Xu, Duan-Jun; Hu, Zi-Qiang; Xu, Yuan-Zhi; Wu, Jing-Yun; Chiang, Michael Y.

(1R,3S)-Camphoramic acid

Acta Crystallographica Section C

2,002

58

2

o106

o107

10.1107/S0108270101020819

0.71069

MoKα

0.048

0.04

null

0.116

null

0.111

null

1.039

null

has coordinates,has Fobs

Nie, Jing-Jing; Xu, Duan-Jun; Hu, Zi-Qiang; Xu, Yuan-Zhi; Wu, Jing-Yun; Chiang, Michael Y. (1R,3S)-Camphoramic acid Acta Crystallographica Section C 58(2) (2002) o106-o107

301,798

2025-08-19

6:41:50

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2,012,495

9.331

0.005

8.769

0.005

13.616

0.008

90

null

92.29

0.016

90

null

1,113.2

1.1

296

2

296

2

null

4

P 1 21/c 1

-P 2ybc

14

1-Acetylferrocene-1'-carboxylic acid

- C13 H12 Fe O3 -

- C52 H48 Fe4 O12 -

4

1

FR1360

Newman, Jacob M.; Papadakis, Markos M.; Thompson, Hugh W.; Lalancette, Roger A.

1'-Acetylferrocene-1-carboxylic acid: an instance of hydrogen bonding in the rare dimeric acid-to-ketone mode

Acta Crystallographica Section C

2,002

58

2

m89

m91

10.1107/S0108270101021771

0.71073

MoKα

0.07

0.042

null

0.085

0.095

null

1.03

null

has coordinates,has Fobs

Newman, Jacob M.; Papadakis, Markos M.; Thompson, Hugh W.; Lalancette, Roger A. 1'-Acetylferrocene-1-carboxylic acid: an instance of hydrogen bonding in the rare dimeric acid-to-ketone mode Acta Crystallographica Section C 58(2) (2002) m89-m91

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/24/2012495.cif $ #-------------------------------------------------------------------...

2,012,496

5.9937

0.0004

11.9746

0.0006

15.734

0.001

75.604

0.005

79.802

0.006

86.418

0.005

1,076.32

0.12

293

2

293

2

null

6

P -1

-P 1

2

2-Thienylmethylammonium trichlorostannate(II)

- C5 H8 Cl3 N S Sn -

- C20 H32 Cl12 N4 S4 Sn4 -

4

2

GD1180

Mercier, Nicolas; Seyeux, Antoine; Morel, Celine; Riou, Amedee

(2-Thienylmethyl)ammonium trichlorostannate(II): a hybrid salt

Acta Crystallographica Section C

2,002

58

2

m127

m128

10.1107/S0108270101020856

0.71073

MoKα

0.062

0.038

null

0.095

0.118

null

1.122

null

has coordinates,has Fobs

Mercier, Nicolas; Seyeux, Antoine; Morel, Celine; Riou, Amedee (2-Thienylmethyl)ammonium trichlorostannate(II): a hybrid salt Acta Crystallographica Section C 58(2) (2002) m127-m128

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/24/2012496.cif $ #-------------------------------------------------------------------...

2,012,497

6.859

0.001

12.427

0.002

15.307

0.003

92.31

0.03

95.87

0.03

103.36

0.03

1,260

0.4

293

2

293

2

null

4

P -1

-P 1

2

melaminium acetate hydrate acetic acid solvate

2,4,6-triamino-1,3,5-triazine-1-ium acetate monohydrate acetic acid solvate

- C7 H16 N6 O5 -

- C28 H64 N24 O20 -

4

2

GD1181

Perpétuo, Genivaldo Julio; Janczak, Jan

Melaminium acetate acetic acid solvate monohydrate

Acta Crystallographica Section C

2,002

58

2

o112

o114

10.1107/S0108270101021631

0.71073

MoKα

0.094

0.037

null

0.045

0.057

null

1

null

has coordinates,has Fobs

Perpétuo, Genivaldo Julio; Janczak, Jan Melaminium acetate acetic acid solvate monohydrate Acta Crystallographica Section C 58(2) (2002) o112-o114

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/24/2012497.cif $ #-------------------------------------------------------------------...

2,012,498

8.466

0.0001

29.526

0.0003

14.1002

0.0001

90

null

97.3941

0.0005

90

null

3,495.28

0.06

150

null

150

null

6

P 1 21/c 1

-P 2ybc

14

μ-1κ^2^O,O':2(η^5^)-Cyclopentadienylcarboxylato- 2(η^5^)-diphenylphosphinocyclopentadienyl-bis[1,1(η^5^)- tetramethylcyclopentadienyl]iron(II)titanium(III)

- C41 H44 Fe O2 P Ti -

- C164 H176 Fe4 O8 P4 Ti4 -

4

1

GD1183

Mach, Karel; Kubišta, Jiří; Císařová, Ivana; Štěpnička, Petr

[μ-1κ^2^O,O':2(η^5^)-Cyclopentadienylcarboxylato][2(η^5^)-diphenylphosphinocyclopentadienyl]bis[1,1(η^5^)-tetramethylcyclopentadienyl]iron(II)titanium(III)

Acta Crystallographica Section C

2,002

58

2

m116

m118

10.1107/S0108270101019370

0.71073

MoKα

0.04

0.033

null

0.082

0.085

null

1.043

null

has coordinates,has Fobs

Mach, Karel; Kubišta, Jiří; Císařová, Ivana; Štěpnička, Petr [μ-1κ^2^O,O':2(η^5^)-Cyclopentadienylcarboxylato][2(η^5^)-diphenylphosphinocyclopentadienyl]bis[1,1(η^5^)-tetramethylcyclopentadienyl]iron(II)titanium(III) Acta Crystallographica Section C 58(2) (2002) m116-m118

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/24/2012498.cif $ #-------------------------------------------------------------------...

2,012,499

8.2189

0.0006

6.0621

0.0003

15.0977

0.001

90

null

102.835

0.003

90

null

733.43

0.08

123

2

123

2

null

4

P 1 21/n 1

-P 2yn

14

4-trifluoromethylbenzonitrile

4-(trifluoromethyl)benzonitrile

- C8 H4 F3 N -

- C32 H16 F12 N4 -

4

1

GG1086

Boitsov, Stepan; Songstad, Jon; Törnroos, Karl W.

4-(Trifluoromethyl)benzonitrile

Acta Crystallographica Section C

2,002

58

2

o66

o68

10.1107/S0108270101019540

0.71073

MoKα

0.053

0.039

null

0.11

0.115

null

1.08

null

has coordinates,has Fobs

Boitsov, Stepan; Songstad, Jon; Törnroos, Karl W. 4-(Trifluoromethyl)benzonitrile Acta Crystallographica Section C 58(2) (2002) o66-o68

301,798

2025-08-19

6:41:50

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2,012,500

6.8807

0.0002

16.2254

0.0006

13.3379

0.0005

90

null

111.28

0.002

90

null

1,387.54

0.09

120

1

120

1

null

5

P 1 21/c 1

-P 2ybc

14

2-(4-Bromophenyl)-1,2-dihydropyrimido[1,2-a]benzimidazol-4(3H)-one

- C16 H12 Br N3 O -

- C64 H48 Br4 N12 O4 -

4

1

GG1087

Low, John Nicolson; Cobo, Justo; Insuasty, Braulio; Nogueras, Manuel; Salcedo, Angela; Sánchez, Adolfo

2-(4-Bromophenyl)-1,2-dihydropyrimido[1,2-a]benzimidazol-4(3H)-one and 4-(4-methylphenyl)-3,4-dihydropyrimido[1,2-a]benzimidazol-2(1H)-one form hydrogen-bonded base-paired dimers

Acta Crystallographica Section C

2,002

58

2

o125

o128

10.1107/S0108270101021564

0.71073

MoKα

0.06

0.043

null

0.104

0.114

null

1.01

null

has coordinates,has Fobs

Low, John Nicolson; Cobo, Justo; Insuasty, Braulio; Nogueras, Manuel; Salcedo, Angela; Sánchez, Adolfo 2-(4-Bromophenyl)-1,2-dihydropyrimido[1,2-a]benzimidazol-4(3H)-one and 4-(4-methylphenyl)-3,4-dihydropyrimido[1,2-a]benzimidazol-2(1H)-one form hydrogen-bonded base-paired dimers Acta Cryst...

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/25/2012500.cif $ #-------------------------------------------------------------------...

2,012,501

8.136

0.0003

9.8647

0.0004

10.0975

0.0005

114.88

0.0013

94.9156

0.0015

100.966

0.003

709.18

0.05

120

1

120

1

null

4

P -1

-P 1

2

4-(4-Methylphenyl)-3,4-dihydropyrimido[1,2-a]benzimidazol-2(1H)-one

- C17 H15 N3 O -

- C34 H30 N6 O2 -

2

1

GG1087

Low, John Nicolson; Cobo, Justo; Insuasty, Braulio; Nogueras, Manuel; Salcedo, Angela; Sánchez, Adolfo

2-(4-Bromophenyl)-1,2-dihydropyrimido[1,2-a]benzimidazol-4(3H)-one and 4-(4-methylphenyl)-3,4-dihydropyrimido[1,2-a]benzimidazol-2(1H)-one form hydrogen-bonded base-paired dimers

Acta Crystallographica Section C

2,002

58

2

o125

o128

10.1107/S0108270101021564

0.71073

MoKα

0.075

0.046

null

0.107

0.12

null

1.054

null

has coordinates,has disorder,has Fobs

Low, John Nicolson; Cobo, Justo; Insuasty, Braulio; Nogueras, Manuel; Salcedo, Angela; Sánchez, Adolfo 2-(4-Bromophenyl)-1,2-dihydropyrimido[1,2-a]benzimidazol-4(3H)-one and 4-(4-methylphenyl)-3,4-dihydropyrimido[1,2-a]benzimidazol-2(1H)-one form hydrogen-bonded base-paired dimers Acta Cryst...

176,432

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176432 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/25/2012501.cif $ #-------------------------------------------------------------------...

2,012,502

7.5297

0.001

23.628

0.003

9.2916

0.001

90

null

104.175

0.01

90

null

1,602.8

0.3

150

null

150

null

4

P 1 21/c 1

-P 2ybc

14

catena-Poly[[dicyanamido(5,5'-dimethyl-2,2'-bipyridine-N,N')copper(II)]-μ- dicyanamido-N^1^:N^5^]

- C16 H12 Cu N8 -

- C64 H48 Cu4 N32 -

4

1

GG1091

Kooijman, Huub; Spek, Anthony L.; Albada, Gerard A. van; Reedijk, Jan

catena-Poly[[dicyanamido(5,5'-dimethyl-2,2'-bipyridine-κ^2^N,N')copper(II)]-μ-dicyanamido-κ^2^N^1^:N^5^]

Acta Crystallographica Section C

2,002

58

2

m124

m126

10.1107/S0108270101021515

0.71073

MoKα

0.034

0.027

null

0.07

0.073

null

1.058

null

has coordinates,has Fobs

Kooijman, Huub; Spek, Anthony L.; Albada, Gerard A. van; Reedijk, Jan catena-Poly[[dicyanamido(5,5'-dimethyl-2,2'-bipyridine-κ^2^N,N')copper(II)]-μ-dicyanamido-κ^2^N^1^:N^5^] Acta Crystallographica Section C 58(2) (2002) m124-m126

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/25/2012502.cif $ #-------------------------------------------------------------------...

2,012,503

4.3142

0.0007

22.141

0.004

6.4675

0.001

90

null

105.441

0.011

90

null

595.48

0.17

293

2

293

2

null

3

P 1 21 1

P 2yb

4

- B8 Bi2 O15 -

- B16 Bi4 O30 -

2

1

IZ1016

Teng, Bing; Yu, Wen Tao; Wang, Ji Yang; Cheng, Xiu Feng; Dong, Sheng Ming; Liu, Yao Gang

Bismuth octaborate, Bi~2~B~8~O~15~

Acta Crystallographica Section C

2,002

58

2

i25

i26

10.1107/S0108270101019643

0.71073

MoKα

0.0711

0.0697

null

0.1685

0.1706

null

1.065

null

has coordinates,has Fobs

Teng, Bing; Yu, Wen Tao; Wang, Ji Yang; Cheng, Xiu Feng; Dong, Sheng Ming; Liu, Yao Gang Bismuth octaborate, Bi~2~B~8~O~15~ Acta Crystallographica Section C 58(2) (2002) i25-i26

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/25/2012503.cif $ #-------------------------------------------------------------------...

2,012,504

9.7839

0.0005

20.7991

0.001

22.0788

0.0012

90

null

99.172

0.006

90

null

4,435.5

0.4

183

2

183

2

null

6

P 1 21/c 1

-P 2ybc

14

cis-bis(1,2,3,6-tetrahydro-1,3-dimethylpurine-2,6-dionato-κN^7^)bis (triphenylphosphine-κP)platinum(II)

- C50 H44 N8 O4 P2 Pt -

- C200 H176 N32 O16 P8 Pt4 -

4

1

JZ1480

Dubler, Erich; Schmalle, Helmut W.; Arod, Frèdèric; Schneider, Alain

Platinum complexes of oxopurines: cis-bis(theophyllinato-N^7^)bis(triphenylphosphine)platinum(II) and cis-chloro(theobrominato-N^1^)bis(triphenylphosphine)platinum(II) ethanol hemisolvate

Acta Crystallographica Section C

2,002

58

2

m111

m115

10.1107/S0108270101020364

0.71073

MoKα

0.058

0.034

null

0.08

0.084

null

1.007

null

has coordinates,has Fobs

Dubler, Erich; Schmalle, Helmut W.; Arod, Frèdèric; Schneider, Alain Platinum complexes of oxopurines: cis-bis(theophyllinato-N^7^)bis(triphenylphosphine)platinum(II) and cis-chloro(theobrominato-N^1^)bis(triphenylphosphine)platinum(II) ethanol hemisolvate Acta Crystallographica Section C 58...

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/25/2012504.cif $ #-------------------------------------------------------------------...

2,012,505

11.4777

0.0009

19.3276

0.0013

20.5946

0.0017

62.565

0.008

81.354

0.01

89.019

0.009

4,001.7

0.6

183

2

183

2

null

7

P -1

-P 1

2

cis-chloro(1,2,3,6-tetrahydro-3,7-dimethylpurine-2,6-dionato-κN^1^)bis (triphenylphosphine-κP)platinum(II) ethanol hemisolvate

- C44 H40 Cl N4 O2.5 P2 Pt -

- C176 H160 Cl4 N16 O10 P8 Pt4 -

4

2

JZ1480

Dubler, Erich; Schmalle, Helmut W.; Arod, Frèdèric; Schneider, Alain

Platinum complexes of oxopurines: cis-bis(theophyllinato-N^7^)bis(triphenylphosphine)platinum(II) and cis-chloro(theobrominato-N^1^)bis(triphenylphosphine)platinum(II) ethanol hemisolvate

Acta Crystallographica Section C

2,002

58

2

m111

m115

10.1107/S0108270101020364

0.71073

MoKα

0.1186

0.042

null

0.079

0.092

null

0.689

null

has coordinates,has disorder,has Fobs

Dubler, Erich; Schmalle, Helmut W.; Arod, Frèdèric; Schneider, Alain Platinum complexes of oxopurines: cis-bis(theophyllinato-N^7^)bis(triphenylphosphine)platinum(II) and cis-chloro(theobrominato-N^1^)bis(triphenylphosphine)platinum(II) ethanol hemisolvate Acta Crystallographica Section C 58...

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/25/2012505.cif $ #-------------------------------------------------------------------...

2,012,506

7.2419

0.0005

9.7619

0.0008

17.7469

0.0016

90

null

90

null

90

null

1,254.61

0.18

180

2

null

4

P 21 21 21

P 2ac 2ab

19

- C11 H16 Cl2 O3 -

- C44 H64 Cl8 O12 -

4

1

JZ1483

Ziyat, Hossni; Ait Itto, My Youssef; Ait Ali, Mustapha; Karim, Abdellah; Riahi, Abdelkhalek; Daran, Jean-Claude

Stereochemistry of two new polyfunctionalized gem-dihalocyclopropanes

Acta Crystallographica Section C

2,002

58

2

o90

o93

10.1107/S0108270101019680

0.71073

MoKα

0.0277

0.0237

null

0.0576

0.059

null

1.037

null

has coordinates,has Fobs

Ziyat, Hossni; Ait Itto, My Youssef; Ait Ali, Mustapha; Karim, Abdellah; Riahi, Abdelkhalek; Daran, Jean-Claude Stereochemistry of two new polyfunctionalized gem-dihalocyclopropanes Acta Crystallographica Section C 58(2) (2002) o90-o93

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/25/2012506.cif $ #-------------------------------------------------------------------...

2,012,507

7.4006

0.0005

9.7511

0.001

18.0171

0.0013

90

null

90

null

90

null

1,300.19

0.19

180

2

null

4

P 21 21 21

P 2ac 2ab

19

- C11 H16 Br2 O3 -

- C44 H64 Br8 O12 -

4

1

JZ1483

Ziyat, Hossni; Ait Itto, My Youssef; Ait Ali, Mustapha; Karim, Abdellah; Riahi, Abdelkhalek; Daran, Jean-Claude

Stereochemistry of two new polyfunctionalized gem-dihalocyclopropanes

Acta Crystallographica Section C

2,002

58

2

o90

o93

10.1107/S0108270101019680

0.71073

MoKα

0.0465

0.037

null

0.0869

0.0956

null

1.089

null

has coordinates,has Fobs

Ziyat, Hossni; Ait Itto, My Youssef; Ait Ali, Mustapha; Karim, Abdellah; Riahi, Abdelkhalek; Daran, Jean-Claude Stereochemistry of two new polyfunctionalized gem-dihalocyclopropanes Acta Crystallographica Section C 58(2) (2002) o90-o93

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/25/2012507.cif $ #-------------------------------------------------------------------...

2,012,508

22.994

0.003

7.185

0.001

16.806

0.003

90

null

98.86

0.01

90

null

2,743.4

0.7

293

2

null

7

C 1 2/c 1

-C 2yc

15

- C10 H34 F12 N6 Ni2 O8 P2 -

- C40 H136 F48 N24 Ni8 O32 P8 -

4

0.5

LN1124

Muga, Iñaki; Vitoria, Pablo; Gutiérrez-Zorrilla, Juan M.; Luque, Antonio; Guzmán-Miralles, Carmen; Román, Pascual

(μ-Oxalato-O^1^,O^2^:O^1'^,O^2'^)bis[aqua(diethylenetriamine)nickel(II)] bis(hexafluorophosphate) dihydrate

Acta Crystallographica Section C

2,002

58

2

m81

m83

10.1107/S0108270101019072

0.71073

MoKα

0.0716

0.061

null

0.1905

null

1.075

null

has coordinates,has disorder,has Fobs

Muga, Iñaki; Vitoria, Pablo; Gutiérrez-Zorrilla, Juan M.; Luque, Antonio; Guzmán-Miralles, Carmen; Román, Pascual (μ-Oxalato-O^1^,O^2^:O^1'^,O^2'^)bis[aqua(diethylenetriamine)nickel(II)] bis(hexafluorophosphate) dihydrate Acta Crystallographica Section C 58(2) (2002) m81-m83

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/25/2012508.cif $ #-------------------------------------------------------------------...

2,012,509

6.203

0.001

7.259

0.001

22.657

0.005

90

null

90

null

90

null

1,020.2

0.3

295

2

295

2

null

3

P c a 21

P 2c -2ac

29

Methyl 3-(4-methoxyphenyl)propenoate

- C11 H12 O3 -

- C44 H48 O12 -

4

1

NA1531

Bujak, Maciej; Zaleski, Jacek; Prezhdo, Victor; Uspenskiy, Boris

Methyl 3-(4-methoxyphenyl)prop-2-enoate

Acta Crystallographica Section C

2,002

58

2

o76

o77

10.1107/S0108270101019539

0.71073

MoKα

0.059

0.042

null

0.109

0.119

null

1.027

null

has coordinates,has Fobs

Bujak, Maciej; Zaleski, Jacek; Prezhdo, Victor; Uspenskiy, Boris Methyl 3-(4-methoxyphenyl)prop-2-enoate Acta Crystallographica Section C 58(2) (2002) o76-o77

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/25/2012509.cif $ #-------------------------------------------------------------------...

2,012,510

8.657

0.002

10.352

0.002

12.859

0.003

104.81

0.01

93.08

0.02

111.21

0.02

1,024.9

0.4

293

null

293

null

7

P -1

-P 1

2

[(4RS,5RS)-1,3-bis(trifluoromethanesulfonyl)perhydro-1,3,2-benzodiaza- phosphol-2-yl]diethylamine

- C12 H20 F6 N3 O4 P S2 -

- C24 H40 F12 N6 O8 P2 S4 -

2

1

NA1537

Konya, Denés; Philouze, Christian; Gimbert, Yves; Greene, Andrew E.

New electron-deficient chiral phosphines: (4R,5R)-1,3-bis(trifluoromethanesulfonyl)perhydro-1,3,2-benzodiazaphosphol-2-yl] substituted amines

Acta Crystallographica Section C

2,002

58

2

o108

o111

10.1107/S0108270101018200

0.71073

MoKα

0.044

null

0.063

null

0.063

null

1.953

null

1.953

null

has coordinates

Konya, Denés; Philouze, Christian; Gimbert, Yves; Greene, Andrew E. New electron-deficient chiral phosphines: (4R,5R)-1,3-bis(trifluoromethanesulfonyl)perhydro-1,3,2-benzodiazaphosphol-2-yl] substituted amines Acta Crystallographica Section C 58(2) (2002) o108-o111

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/25/2012510.cif $ #-------------------------------------------------------------------...

2,012,511

8.972

0.002

9.116

0.006

12.99

0.007

97.4

0.04

104.03

0.04

60.58

0.04

897.8

0.9

293

null

293

null

7

P -1

-P 1

2

[(4RS,5RS)-1,3-bis(trifluoromethanesulfonyl)perhydro-1,3,2-benzodiaza- phosphol-2-yl]dimethylamine

- C10 H16 F6 N3 O4 P S2 -

- C20 H32 F12 N6 O8 P2 S4 -

2

1

NA1537

Konya, Denés; Philouze, Christian; Gimbert, Yves; Greene, Andrew E.

New electron-deficient chiral phosphines: (4R,5R)-1,3-bis(trifluoromethanesulfonyl)perhydro-1,3,2-benzodiazaphosphol-2-yl] substituted amines

Acta Crystallographica Section C

2,002

58

2

o108

o111

10.1107/S0108270101018200

0.71073

MoKα

0.049

null

0.07

null

0.07

null

1.908

null

1.908

null

has coordinates

Konya, Denés; Philouze, Christian; Gimbert, Yves; Greene, Andrew E. New electron-deficient chiral phosphines: (4R,5R)-1,3-bis(trifluoromethanesulfonyl)perhydro-1,3,2-benzodiazaphosphol-2-yl] substituted amines Acta Crystallographica Section C 58(2) (2002) o108-o111

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/25/2012511.cif $ #-------------------------------------------------------------------...

2,012,512

8.812

0.004

13.897

0.003

14.728

0.006

90

null

90.21

0.03

90

null

1,803.6

1.2

293

null

293

null

8

P 1 21 1

P 2yb

4

bis[(4R,5R)-1,3-bis(trifluoromethanesulfonyl)perhydro-1,3,2- benzodiazaphosphol-2-yl]methylamine chloroform solvate

- C17.98 H23.98 Cl2.95 F12 N5 O8 P2 S4 -

- C17.983 H23 Cl2.948 F12 N5 O8 P2 S4 -

- C35.966 H46 Cl5.896 F24 N10 O16 P4 S8 -

2

1

NA1537

Konya, Denés; Philouze, Christian; Gimbert, Yves; Greene, Andrew E.

New electron-deficient chiral phosphines: (4R,5R)-1,3-bis(trifluoromethanesulfonyl)perhydro-1,3,2-benzodiazaphosphol-2-yl] substituted amines

Acta Crystallographica Section C

2,002

58

2

o108

o111

10.1107/S0108270101018200

0.71073

MoKα

0.086

null

0.051

null

0.051

null

1.878

null

1.878

null

has coordinates,has Fobs

Konya, Denés; Philouze, Christian; Gimbert, Yves; Greene, Andrew E. New electron-deficient chiral phosphines: (4R,5R)-1,3-bis(trifluoromethanesulfonyl)perhydro-1,3,2-benzodiazaphosphol-2-yl] substituted amines Acta Crystallographica Section C 58(2) (2002) o108-o111

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/25/2012512.cif $ #-------------------------------------------------------------------...

2,012,513

12.99

0.002

6.092

0.003

14.528

0.002

90

null

98.55

0.02

90

null

1,136.9

0.6

180

2

null

3

P 1 21 1

P 2yb

4

(-)-Dimenthyl malonate

Bis(2-isopropyl-5-methylcyclohex-1-yl) malonate

- C23 H40 O4 -

- C46 H80 O8 -

2

1

NA1538

Coumbarides, Gregory S.; Eames, Jason; Motevalli, Majid; Yohannes, Yonas

(–)-Dimenthyl malonate

Acta Crystallographica Section C

2,002

58

2

o84

o85

10.1107/S0108270101019308

0.71069

MoKα

null

0.058

null

0.163

null

0.934

null

has coordinates,has Fobs

Coumbarides, Gregory S.; Eames, Jason; Motevalli, Majid; Yohannes, Yonas (–)-Dimenthyl malonate Acta Crystallographica Section C 58(2) (2002) o84-o85

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/25/2012513.cif $ #-------------------------------------------------------------------...

2,012,514

5.9588

0.0004

10.901

0.001

11.29

0.001

113.7

0.005

93.164

0.004

91.957

0.005

669.22

0.1

293

2

293

2

null

6

P -1

-P 1

2

DISODIUM PAMIDRONATE

Disodium 3-ammonium-1-hydroxypropylidene-1,1-bisphosphonate pentahydrate

- C3 H19 N Na2 O12 P2 -

- C6 H38 N2 Na4 O24 P4 -

2

1

NA1543

Vega, Daniel; Fernández, Daniel; Ellena, Javier A.

Disodium pamidronate

Acta Crystallographica Section C

2,002

58

2

m77

m80

10.1107/S0108270101019655

0.7107

MoKα

null

0.0416

null

0.1056

null

1.062

null

has coordinates,has Fobs

Vega, Daniel; Fernández, Daniel; Ellena, Javier A. Disodium pamidronate Acta Crystallographica Section C 58(2) (2002) m77-m80

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/25/2012514.cif $ #-------------------------------------------------------------------...

2,012,515

8.935

0.0004

9.1189

0.0003

13.469

0.0006

75.897

0.001

89.831

0.001

62.201

0.001

933.64

0.07

183

2

183

2

null

4

P -1

-P 1

2

syn-2a'-acetoxy-1,7'-diacetyl-7',7a'-dihydro-2-oxo- spiro[1H-indole-3(2H),2'(2a'H)oxeto[2,3-b]indole]

- C22 H18 N2 O6 -

- C44 H36 N4 O12 -

2

1

NA1545

Usman, Anwar; Razak, Ibrahim Abdul; Fun, Hoong-Kun; Chantrapromma, Suchada; Zhang, Yan; Xu, Jian-Hua

Syn- and anticlinal isomers of 2a'-acetoxy-1,7'-diacetyl-7',7a'-dihydro-2-oxospiro[1H-indole-3(2H),2'(2a'H)-oxeto[3,2-b]indole]

Acta Crystallographica Section C

2,002

58

2

o59

o62

10.1107/S0108270101020820

0.71073

MoKα

0.0917

0.0708

null

0.1653

0.1936

null

0.949

null

has coordinates,has Fobs

Usman, Anwar; Razak, Ibrahim Abdul; Fun, Hoong-Kun; Chantrapromma, Suchada; Zhang, Yan; Xu, Jian-Hua Syn- and anticlinal isomers of 2a'-acetoxy-1,7'-diacetyl-7',7a'-dihydro-2-oxospiro[1H-indole-3(2H),2'(2a'H)-oxeto[3,2-b]indole] Acta Crystallographica Section C 58(2) (2002) o59-o62

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/25/2012515.cif $ #-------------------------------------------------------------------...

2,012,516

14.531

0.0002

8.7676

0.0001

30.0679

0.0001

90

null

90

null

90

null

3,830.71

0.07

183

2

183

2

null

4

P n a 21

P 2c -2n

33

anti-2a'-acetoxy-1,7'-diacetyl-7',7a'-dihydro-2-oxo- spiro[1H-indole-3(2H),2'(2a'H)oxeto[2,3-b]indole]

- C22 H18 N2 O6 -

- C176 H144 N16 O48 -

8

2

NA1545

Usman, Anwar; Razak, Ibrahim Abdul; Fun, Hoong-Kun; Chantrapromma, Suchada; Zhang, Yan; Xu, Jian-Hua

Syn- and anticlinal isomers of 2a'-acetoxy-1,7'-diacetyl-7',7a'-dihydro-2-oxospiro[1H-indole-3(2H),2'(2a'H)-oxeto[3,2-b]indole]

Acta Crystallographica Section C

2,002

58

2

o59

o62

10.1107/S0108270101020820

0.71073

MoKα

0.0616

0.0477

null

0.109

0.1146

null

0.994

null

has coordinates,has Fobs

Usman, Anwar; Razak, Ibrahim Abdul; Fun, Hoong-Kun; Chantrapromma, Suchada; Zhang, Yan; Xu, Jian-Hua Syn- and anticlinal isomers of 2a'-acetoxy-1,7'-diacetyl-7',7a'-dihydro-2-oxospiro[1H-indole-3(2H),2'(2a'H)-oxeto[3,2-b]indole] Acta Crystallographica Section C 58(2) (2002) o59-o62

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/25/2012516.cif $ #-------------------------------------------------------------------...

2,012,517

12.587

0.003

25.762

0.009

13.24

0.013

90

null

108.24

0.03

90

null

4,078

4

293

2

293

2

null

6

C 1 2/c 1

-C 2yc

15

Bis[μ-2-(ethylammoniomethyl)-3,5-dimethylpyrazolato-κ^2^N^1^:N^2^] bis[(η^4^-1,5-cyclooctadiene)rhodium(I)] dichloride dichloromethane methanol solvate

- C34 H60 Cl4 N6 O Rh2 -

- C34 H56 Cl4 N6 O Rh2 -

- C136 H224 Cl16 N24 O4 Rh8 -

4

0.5

OB1049

Esquius, Glòria; Pons, Josefina; Yáñez, Ramón; Ros, Josep; Solans, Xavier; Font-Bardia, Mercè

Bis[μ-4-(ethylammoniomethyl)-3,5-dimethylpyrazolato-κ^2^N^1^:N^2^]bis[(η^4^-1,5-cyclooctadiene)rhodium(I)] dichloride dichloromethane methanol solvate

Acta Crystallographica Section C

2,002

58

2

m133

m134

10.1107/S0108270101020017

0.71069

MoKα

0.054

0.028

null

0.072

0.079

null

0.978

null

has coordinates,has Fobs

Esquius, Glòria; Pons, Josefina; Yáñez, Ramón; Ros, Josep; Solans, Xavier; Font-Bardia, Mercè Bis[μ-4-(ethylammoniomethyl)-3,5-dimethylpyrazolato-κ^2^N^1^:N^2^]bis[(η^4^-1,5-cyclooctadiene)rhodium(I)] dichloride dichloromethane methanol solvate Acta Crystallographica Section C 58(2) (2002) m133-m134

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/25/2012517.cif $ #-------------------------------------------------------------------...

2,012,518

14.6683

0.0003

6.9409

0.0001

13.5889

0.0001

90

null

111.157

0.001

90

null

1,290.25

0.03

293

2

293

2

null

7

P 1 21/c 1

-P 2ybc

14

Bis(ethylenediamine)copper(II) bis(O,O'-diethyl dithiophosphato-S,S')

- C12 H36 Cu N4 O4 P2 S4 -

- C24 H72 Cu2 N8 O8 P4 S8 -

2

0.5

OS1146

Fun, Hoong-Kun; Hao, Qingli; Ma, Haibo; Yang, Xujie; Lu, Lude; Wang, Xin; Chantrapromma, Suchada; Razak, Ibrahim Abdul; Usman, Anwar

Bis(ethylenediamine)copper(II) bis(O,O'-diethyl dithiophosphate)

Acta Crystallographica Section C

2,002

58

2

m87

m88

10.1107/S0108270101020789

0.71073

MoKα

0.0741

0.0452

null

0.0989

0.1059

null

0.919

null

has coordinates,has Fobs

Fun, Hoong-Kun; Hao, Qingli; Ma, Haibo; Yang, Xujie; Lu, Lude; Wang, Xin; Chantrapromma, Suchada; Razak, Ibrahim Abdul; Usman, Anwar Bis(ethylenediamine)copper(II) bis(O,O'-diethyl dithiophosphate) Acta Crystallographica Section C 58(2) (2002) m87-m88

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/25/2012518.cif $ #-------------------------------------------------------------------...

2,012,519

8.059

0.001

12.116

0.001

24.744

0.002

90

null

90

null

90

null

2,416.1

0.4

293

2

293

2

null

5

P b c a

-P 2ac 2ab

61

N-(3-phenoxy-4-pyridyl)methanesulfonamide

- C12 H12 N2 O3 S -

- C96 H96 N16 O24 S8 -

8

1

SK1503

Michaux, Catherine; Charlier, Caroline; Julémont, Fabien; Dogné, Jean-Michel; de Leval, Xavier; Norberg, Bernadette; Pirotte, Bernard; Durant, François

N-(3-Phenoxy-4-pyridinio)methanesulfonamidate

Acta Crystallographica Section C

2,002

58

2

o88

o89

10.1107/S0108270101018595

1.54178

CuKα

0.033

0.032

null

0.095

0.096

null

1.067

null

has coordinates,has Fobs

Michaux, Catherine; Charlier, Caroline; Julémont, Fabien; Dogné, Jean-Michel; de Leval, Xavier; Norberg, Bernadette; Pirotte, Bernard; Durant, François N-(3-Phenoxy-4-pyridinio)methanesulfonamidate Acta Crystallographica Section C 58(2) (2002) o88-o89

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/25/2012519.cif $ #-------------------------------------------------------------------...

2,012,520

6.219

0.001

12.163

0.002

15.855

0.001

90

null

91.13

0.01

90

null

1,199.1

0.3

293

2

293

2

null

5

P 1 21/n 1

-P 2yn

14

- C12 H11 N3 O2 S -

- C48 H44 N12 O8 S4 -

4

1

SK1506

Wouters, Johan; Norberg, Bernadette; Guccione, Salvatore

4-Methyl-2-[N-(3,4-methylenedioxybenzylidene)hydrazino]thiazole and its reduction product, 4-methyl-2-[N-(3,4-methylenedioxybenzylidene)hydrazono]-4,5-dihydrothiazole

Acta Crystallographica Section C

2,002

58

2

o69

o71

10.1107/S0108270101017851

1.54178

CuKα

0.0441

0.0377

null

0.1015

0.1062

null

1.093

null

has coordinates,has Fobs

Wouters, Johan; Norberg, Bernadette; Guccione, Salvatore 4-Methyl-2-[N-(3,4-methylenedioxybenzylidene)hydrazino]thiazole and its reduction product, 4-methyl-2-[N-(3,4-methylenedioxybenzylidene)hydrazono]-4,5-dihydrothiazole Acta Crystallographica Section C 58(2) (2002) o69-o71

301,798

2025-08-19

6:41:50

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2,012,521

14.738

0.001

5.75

0.001

15.898

0.001

90

null

105.02

0.01

90

null

1,301.2

0.3

293

2

293

2

null

5

P 1 21/c 1

-P 2ybc

14

- C12 H13 N3 O2 S -

- C48 H52 N12 O8 S4 -

4

1

SK1506

Wouters, Johan; Norberg, Bernadette; Guccione, Salvatore

4-Methyl-2-[N-(3,4-methylenedioxybenzylidene)hydrazino]thiazole and its reduction product, 4-methyl-2-[N-(3,4-methylenedioxybenzylidene)hydrazono]-4,5-dihydrothiazole

Acta Crystallographica Section C

2,002

58

2

o69

o71

10.1107/S0108270101017851

1.54178

CuKα

0.0455

0.0418

null

0.1314

0.1348

null

1.106

null

has coordinates,has Fobs

Wouters, Johan; Norberg, Bernadette; Guccione, Salvatore 4-Methyl-2-[N-(3,4-methylenedioxybenzylidene)hydrazino]thiazole and its reduction product, 4-methyl-2-[N-(3,4-methylenedioxybenzylidene)hydrazono]-4,5-dihydrothiazole Acta Crystallographica Section C 58(2) (2002) o69-o71

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/25/2012521.cif $ #-------------------------------------------------------------------...

2,012,522

10.5692

0.0002

10.6982

0.0002

10.7687

0.0001

94.848

0.001

99.091

0.001

119.064

0.001

1,032.43

0.03

293

2

293

2

null

3

P -1

-P 1

2

Ethyl (6aRS,8RS,12bRS)-6-oxo-8-phenyl-6a,7,8,12b-tetrahydro-6H-benzo[b]- naphtho[1,2-d]pyran-6a-carboxylate

- C26 H22 O4 -

- C52 H44 O8 -

2

1

SK1509

Usman, Anwar; Razak, Ibrahim Abdul; Fun, Hoong-Kun; Chantrapromma, Suchada; Zhao, Bao-Guo; Xu, Jian-Hua

Ethyl (6aRS,8RS,12bRS)-6-oxo-8-phenyl-6a,7,8,12b-tetrahydro-6H-benzo[b]naphtho[1,2-d]pyran-6a-carboxylate

Acta Crystallographica Section C

2,002

58

2

o57

o58

10.1107/S0108270101017164

0.71073

MoKα

0.1117

0.0746

null

0.1751

0.2087

null

0.874

null

has coordinates,has Fobs

Usman, Anwar; Razak, Ibrahim Abdul; Fun, Hoong-Kun; Chantrapromma, Suchada; Zhao, Bao-Guo; Xu, Jian-Hua Ethyl (6aRS,8RS,12bRS)-6-oxo-8-phenyl-6a,7,8,12b-tetrahydro-6H-benzo[b]naphtho[1,2-d]pyran-6a-carboxylate Acta Crystallographica Section C 58(2) (2002) o57-o58

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/25/2012522.cif $ #-------------------------------------------------------------------...

2,012,523

30.5212

0.0007

30.5212

0.0007

8.8689

0.0002

90

null

90

null

120

null

7,154.9

0.3

120

1

120

1

null

3

R -3 :H

-R 3

148

3-methyl-1,5-diphenyl-1,6,7,8-tetrahydropyrazolo[3,4-b][1,4]diazepine

- C19 H18 N4 -

- C342 H324 N72 -

18

1

SK1526

Low, John Nicolson; Cobo, Justo; Insuasty, Braulio; Insuasty, Henry; Nogueras, Manuel; Sánchez, Adolfo

Supramolecular hydrogen-bonded hexamers in two 5-aryl-3-methyl-1-phenyl-1,6,7,8-tetrahydropyrazolo[3,4-b][1,4]diazepines

Acta Crystallographica Section C

2,002

58

2

o103

o105

10.1107/S0108270101020625

0.71073

MoKα

0.0662

0.0497

null

0.1234

0.1334

null

1.054

null

has coordinates,has disorder,has Fobs

Low, John Nicolson; Cobo, Justo; Insuasty, Braulio; Insuasty, Henry; Nogueras, Manuel; Sánchez, Adolfo Supramolecular hydrogen-bonded hexamers in two 5-aryl-3-methyl-1-phenyl-1,6,7,8-tetrahydropyrazolo[3,4-b][1,4]diazepines Acta Crystallographica Section C 58(2) (2002) o103-o105

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/25/2012523.cif $ #-------------------------------------------------------------------...

2,012,524

9.0066

0.0018

17.969

0.004

18.007

0.004

115.73

0.03

101.02

0.03

98.83

0.03

2,483

1.3

120

1

120

1

null

4

P -1

-P 1

2

5-(4-Chlorophenyl)-3-methyl-1-phenyl-1,6,7,8- tetrahydropyrazolo[3,4-b][1,4]diazepine

- C19 H17 Cl N4 -

- C114 H102 Cl6 N24 -

6

3

SK1526

Low, John Nicolson; Cobo, Justo; Insuasty, Braulio; Insuasty, Henry; Nogueras, Manuel; Sánchez, Adolfo

Supramolecular hydrogen-bonded hexamers in two 5-aryl-3-methyl-1-phenyl-1,6,7,8-tetrahydropyrazolo[3,4-b][1,4]diazepines

Acta Crystallographica Section C

2,002

58

2

o103

o105

10.1107/S0108270101020625

0.71073

MoKα

0.1207

0.0822

null

0.2064

0.2263

null

1.067

null

has coordinates,has Fobs

Low, John Nicolson; Cobo, Justo; Insuasty, Braulio; Insuasty, Henry; Nogueras, Manuel; Sánchez, Adolfo Supramolecular hydrogen-bonded hexamers in two 5-aryl-3-methyl-1-phenyl-1,6,7,8-tetrahydropyrazolo[3,4-b][1,4]diazepines Acta Crystallographica Section C 58(2) (2002) o103-o105

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/25/2012524.cif $ #-------------------------------------------------------------------...

2,012,525

17.4665

0.0018

17.0031

0.0016

7.347

0.003

90

null

94.566

0.018

90

null

2,175

0.9

173

1

173

1

null

5

P 1 21/c 1

-P 2ybc

14

2-(4-chlorophenyl)-1,3-dicyano-6,7-dihydro-4-imino- 9,10-dimethoxybenzo[a]quinolizine-water (2/5)

- C23 H22 Cl N4 O4.5 -

- C23 H17 Cl N4 O2 -

- C92 H68 Cl4 N16 O8 -

4

1

SK1527

Linden, Anthony; Awad, Enas M.; Elwan, Nehal M.; Hassaneen, Hamdi M.; Heimgartner, Heinz

2-(4-Chlorophenyl)-1,3-dicyano-6,7-dihydro-4-imino-9,10-dimethoxybenzo[a]quinolizine‒water (2/5)

Acta Crystallographica Section C

2,002

58

2

o122

o124

10.1107/S010827010102090X

0.71069

MoKα

0.099

0.0511

null

0.1383

0.1513

null

0.967

null

has coordinates,has Fobs

Linden, Anthony; Awad, Enas M.; Elwan, Nehal M.; Hassaneen, Hamdi M.; Heimgartner, Heinz 2-(4-Chlorophenyl)-1,3-dicyano-6,7-dihydro-4-imino-9,10-dimethoxybenzo[a]quinolizine‒water (2/5) Acta Crystallographica Section C 58(2) (2002) o122-o124

211,332

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2018-10-05 15:19:55 +0300 (Fri, 05 Oct 2018) $ #$Revision: 211332 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/25/2012525.cif $ #-------------------------------------------------------------------...

2,012,526

9.0274

0.0004

6.5933

0.0004

13.117

0.0008

90

null

90

null

90

null

780.73

0.08

150

2

150

2

null

5

P n m a

-P 2ac 2n

62

2-Trifluoromethyl-4-nitroaniline

- C7 H5 F3 N2 O2 -

- C28 H20 F12 N8 O8 -

4

0.5

SK1528

Glidewell, Christopher; Low, John N.; McWilliam, Susan A.; Skakle, Janet M. S.; Wardell, James L.

Hydrogen bonding in C-substituted nitroanilines: molecular ladders in 2-trifluoromethyl-4-nitroaniline and sheets of Rf̱{_4^4}(12) and Rf̱{_4^4}(32) rings in 3-trifluoromethyl-4-nitroaniline

Acta Crystallographica Section C

2,002

58

2

o97

o99

10.1107/S0108270101021254

0.71073

MoKα

0.061

0.041

null

0.105

0.118

null

1.064

null

has coordinates,has Fobs

Glidewell, Christopher; Low, John N.; McWilliam, Susan A.; Skakle, Janet M. S.; Wardell, James L. Hydrogen bonding in C-substituted nitroanilines: molecular ladders in 2-trifluoromethyl-4-nitroaniline and sheets of Rf̱{_4^4}(12) and Rf̱{_4^4}(32) rings in 3-trifluoromethyl-4-nitroaniline Acta Crystallogra...

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/25/2012526.cif $ #-------------------------------------------------------------------...

2,012,527

7.1048

0.0002

15.3832

0.0005

14.3091

0.0006

90

null

91.9102

0.0012

90

null

1,563.04

0.09

150

2

150

2

null

5

P 1 21/c 1

-P 2ybc

14

3-Trifluoromethyl-4-nitroaniline

- C7 H5 F3 N2 O2 -

- C56 H40 F24 N16 O16 -

8

2

SK1528

Glidewell, Christopher; Low, John N.; McWilliam, Susan A.; Skakle, Janet M. S.; Wardell, James L.

Hydrogen bonding in C-substituted nitroanilines: molecular ladders in 2-trifluoromethyl-4-nitroaniline and sheets of Rf̱{_4^4}(12) and Rf̱{_4^4}(32) rings in 3-trifluoromethyl-4-nitroaniline

Acta Crystallographica Section C

2,002

58

2

o97

o99

10.1107/S0108270101021254

0.71073

MoKα

0.079

0.044

null

0.1

0.114

null

0.979

null

has coordinates,has Fobs

Glidewell, Christopher; Low, John N.; McWilliam, Susan A.; Skakle, Janet M. S.; Wardell, James L. Hydrogen bonding in C-substituted nitroanilines: molecular ladders in 2-trifluoromethyl-4-nitroaniline and sheets of Rf̱{_4^4}(12) and Rf̱{_4^4}(32) rings in 3-trifluoromethyl-4-nitroaniline Acta Crystallogra...

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/25/2012527.cif $ #-------------------------------------------------------------------...

2,012,528

4.2494

0.0002

14.9094

0.0007

13.0958

0.0007

90

null

96.138

0.002

90

null

824.94

0.07

150

2

150

2

null

5

P 1 21/n 1

-P 2yn

14

2-amino-3-bromo-5-nitrobenzonitrile

- C7 H4 Br N3 O2 -

- C28 H16 Br4 N12 O8 -

4

1

SK1529

Glidewell, Christopher; Low, John N.; McWilliam, Susan A.; Skakle, Janet M. S.; Wardell, James L.

Hydrogen bonding in C-substituted nitroanilines: sheets built from alternating Rf̱{_2^2}(12) and Rf̱{_6^6}(36) rings in 2-bromo-6-cyano-4-nitroaniline

Acta Crystallographica Section C

2,002

58

2

o100

o102

10.1107/S0108270101021485

0.71073

MoKα

0.061

0.037

null

0.074

0.081

null

1.013

null

has coordinates,has Fobs

Glidewell, Christopher; Low, John N.; McWilliam, Susan A.; Skakle, Janet M. S.; Wardell, James L. Hydrogen bonding in C-substituted nitroanilines: sheets built from alternating Rf̱{_2^2}(12) and Rf̱{_6^6}(36) rings in 2-bromo-6-cyano-4-nitroaniline Acta Crystallographica Section C 58(2) (2002) o100-o102

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/25/2012528.cif $ #-------------------------------------------------------------------...

2,012,529

11.913

0.002

15.027

0.003

15.466

0.003

114.37

0.03

99

0.03

99.17

0.03

2,412.6

1.2

293

2

293

2

null

6

P -1

-P 1

2

- C8 H97 Mo18 N4 Na7 O100 -

- C8 H8 Mo18 N4 Na7 O100 -

1

0.5

TA1340

Liu, Guang; Zhang, Shi-Wei

New girdle-like Mo~18~ polyanions linked into chains

Acta Crystallographica Section C

2,002

58

2

m92

m94

10.1107/S0108270101017206

0.71073

MoKα

0.0743

0.0559

null

0.1647

0.179

null

1.083

null

has coordinates,has Fobs

Liu, Guang; Zhang, Shi-Wei New girdle-like Mo~18~ polyanions linked into chains Acta Crystallographica Section C 58(2) (2002) m92-m94

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/25/2012529.cif $ #-------------------------------------------------------------------...

2,012,530

15.257

0.003

8.954

0.002

13.623

0.002

90

null

102.71

0.02

90

null

1,815.5

0.6

130

0.2

130

0.2

null

4

P 1 21/c 1

-P 2ybc

14

cis-4-tert-Butylcyclohexyl Picrate

cis-2-(4-tert-butylcyclohexyloxy)-1,3,5-trinitrobenzene

- C16 H21 N3 O7 -

- C64 H84 N12 O28 -

4

1

TA1354

Spiniello, Marisa; White, Jonathan M.

cis- and trans-2-(4-tert-Butylcyclohexyloxy)-1,3,5-trinitrobenzene

Acta Crystallographica Section C

2,002

58

2

o94

o96

10.1107/S0108270101019400

0.71069

MoKα

0.052

0.039

null

0.098

0.107

null

1.006

null

has coordinates,has Fobs

Spiniello, Marisa; White, Jonathan M. cis- and trans-2-(4-tert-Butylcyclohexyloxy)-1,3,5-trinitrobenzene Acta Crystallographica Section C 58(2) (2002) o94-o96

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/25/2012530.cif $ #-------------------------------------------------------------------...

2,012,531

14.95

0.003

8.349

0.001

14.292

0.005

90

null

94.22

0.03

90

null

1,779.1

0.8

130

0.2

130

0.2

null

4

P 1 21/c 1

-P 2ybc

14

trans-4-tert-Butylcyclohexyl Picrate

trans-2-(4-tert-butylcyclohexyloxy)-1,3,5-trinitrobenzene

- C16 H21 N3 O7 -

- C64 H84 N12 O28 -

4

1

TA1354

Spiniello, Marisa; White, Jonathan M.

cis- and trans-2-(4-tert-Butylcyclohexyloxy)-1,3,5-trinitrobenzene

Acta Crystallographica Section C

2,002

58

2

o94

o96

10.1107/S0108270101019400

0.71069

MoKα

0.085

0.047

null

0.097

0.112

null

1.036

null

has coordinates,has Fobs

Spiniello, Marisa; White, Jonathan M. cis- and trans-2-(4-tert-Butylcyclohexyloxy)-1,3,5-trinitrobenzene Acta Crystallographica Section C 58(2) (2002) o94-o96

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/25/2012531.cif $ #-------------------------------------------------------------------...

2,012,532

8.5591

0.0002

10.6777

0.0002

17.6816

0.0004

90

null

103.042

0.001

90

null

1,574.26

0.06

173

2

173

2

null

5

P 1 21/c 1

-P 2ybc

14

[2,6-Bis(isopropylthiomethyl)phenyl-κ^3^S,C^1^,S]bromopalladium(II)

- C14 H21 Br Pd S2 -

- C56 H84 Br4 Pd4 S8 -

4

1

TA1357

Bacsa, John; Moutloali, Richard M.; Darkwa, James

[2,6-Bis(isopropylthiomethyl)phenyl-κ^3^S,C^1^,S']bromopalladium(II)

Acta Crystallographica Section C

2,002

58

2

m109

m110

10.1107/S0108270101020182

0.71073

MoKα

0.03

0.024

null

0.05

0.052

null

1.084

null

has coordinates,has Fobs

Bacsa, John; Moutloali, Richard M.; Darkwa, James [2,6-Bis(isopropylthiomethyl)phenyl-κ^3^S,C^1^,S']bromopalladium(II) Acta Crystallographica Section C 58(2) (2002) m109-m110

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/25/2012532.cif $ #-------------------------------------------------------------------...

2,012,533

14.3894

0.0008

15.9758

0.0007

16.0646

0.0009

61.128

0.003

70.648

0.002

83.316

0.003

3,047

0.3

100

2

100

2

null

7

P -1

-P 1

2

bis[1,1',2,2',3,3',4,4'-octamethyl-5-(2-pyridinio)-5'-(2-pyridyl)ferrocene] di-μ~3~-chloro-hexadeca-μ~2~-chloro-hexachlorodi-μ~4~-oxo-di-μ~3~-oxo- bis[(η^5^,κN)-1,2,3,4-tetramethyl-5-(2-pyridyl)cyclopentadienyl] octauranium(IV) dichloromethane tetrasolvate

- C88 H106 Cl32 Fe2 N6 O4 U8 -

1

0.5

TR1004

Moisan, Lionel; Le Borgne, Thierry; Thuéry, Pierre; Ephritikhine, Michel

An ion pair formed by protonated Fe(cp*py)~2~ and the octanuclear cluster U~8~Cl~24~O~4~(cp*py)~2~ [cp*py is tetramethyl-5-(2-pyridyl)cyclopentadiene]

Acta Crystallographica Section C

2,002

58

2

m98

m101

10.1107/S0108270101020029

0.71073

MoKα

0.069

0.044

null

0.088

0.097

null

1.026

null

has coordinates,has Fobs

Moisan, Lionel; Le Borgne, Thierry; Thuéry, Pierre; Ephritikhine, Michel An ion pair formed by protonated Fe(cp*py)~2~ and the octanuclear cluster U~8~Cl~24~O~4~(cp*py)~2~ [cp*py is tetramethyl-5-(2-pyridyl)cyclopentadiene] Acta Crystallographica Section C 58(2) (2002) m98-m101

202,207

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-10-20 20:22:20 +0300 (Fri, 20 Oct 2017) $ #$Revision: 202207 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/25/2012533.cif $ #-------------------------------------------------------------------...

2,012,534

19.2564

0.0003

8.9478

0.0002

29.2379

0.0005

90

null

92.9544

0.0007

90

null

5,031.06

0.16

150

2

150

2

null

5

C 1 2/c 1

-C 2yc

15

Bis(tetra-n-butylammonium) bis(1,3-dithiole-2-thione-4,5-dithiolato)zinc(II) at 150K

- C38 H72 N2 S10 Zn -

- C152 H288 N8 S40 Zn4 -

4

0.5

TR1005

Comerlato, Nadia M.; Harrison, William T.A.; Howie, R. Alan; Low, John Nicolson; Silvino, Alexandre C.; Wardell, James L.; Wardell, Solange M.S.V.

Bis(tetra-n-butylammonium) (a redetermination at 150K) and bis(tetraphenylarsonium) bis(1,3-dithiole-2-thione-4,5-dithiolato)zinc(II) (at 300K)

Acta Crystallographica Section C

2,002

58

2

m105

m108

10.1107/S0108270101018534

0.71073

MoKα

0.1461

0.0489

null

0.1084

0.1322

null

0.981

null

has coordinates,has disorder,has Fobs

Comerlato, Nadia M.; Harrison, William T.A.; Howie, R. Alan; Low, John Nicolson; Silvino, Alexandre C.; Wardell, James L.; Wardell, Solange M.S.V. Bis(tetra-n-butylammonium) (a redetermination at 150K) and bis(tetraphenylarsonium) bis(1,3-dithiole-2-thione-4,5-dithiolato)zinc(II) (at 300K) Acta Crystallographica...

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/25/2012534.cif $ #-------------------------------------------------------------------...

2,012,535

10.3451

0.0005

15.0563

0.0007

18.8083

0.0008

73.072

0.001

85.867

0.001

72.259

0.001

2,668.9

0.2

300

2

300

2

null

5

P -1

-P 1

2

Bis(tetraphenylarsonium) bis(1,3-dithiole-2-thione-4,5-dithiolato)zinc(II)

- C54 H40 As2 S10 Zn -

- C108 H80 As4 S20 Zn2 -

2

1

TR1005

Comerlato, Nadia M.; Harrison, William T.A.; Howie, R. Alan; Low, John Nicolson; Silvino, Alexandre C.; Wardell, James L.; Wardell, Solange M.S.V.

Bis(tetra-n-butylammonium) (a redetermination at 150K) and bis(tetraphenylarsonium) bis(1,3-dithiole-2-thione-4,5-dithiolato)zinc(II) (at 300K)

Acta Crystallographica Section C

2,002

58

2

m105

m108

10.1107/S0108270101018534

0.71073

MoKα

0.064

0.0335

null

0.0613

0.0671

null

0.858

null

has coordinates,has Fobs

Comerlato, Nadia M.; Harrison, William T.A.; Howie, R. Alan; Low, John Nicolson; Silvino, Alexandre C.; Wardell, James L.; Wardell, Solange M.S.V. Bis(tetra-n-butylammonium) (a redetermination at 150K) and bis(tetraphenylarsonium) bis(1,3-dithiole-2-thione-4,5-dithiolato)zinc(II) (at 300K) Acta Crystallographica...

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/25/2012535.cif $ #-------------------------------------------------------------------...

2,012,536

7.5103

0.0004

10.3304

0.0005

12.1206

0.0006

71.358

0.001

84.252

0.001

73.612

0.001

854.78

0.07

293

2

293

2

null

6

P -1

-P 1

2

Dichlorobis(trimethylenethiourea-S)antimony(III) chloride

- C8 H16 Cl3 N4 S2 Sb -

- C16 H32 Cl6 N8 S4 Sb2 -

2

1

TR1006

Razak, Ibrahim Abdul; Usman, Anwar; Fun, Hoong-Kun; Yamin, Bohari M.; Keat, Goh Wooi

Dichlorobis(trimethylenethiourea-κS)antimony(III) chloride

Acta Crystallographica Section C

2,002

58

2

m122

m123

10.1107/S0108270101020911

0.71073

MoKα

0.0647

0.058

null

0.1537

0.1578

null

1.085

null

has coordinates

Razak, Ibrahim Abdul; Usman, Anwar; Fun, Hoong-Kun; Yamin, Bohari M.; Keat, Goh Wooi Dichlorobis(trimethylenethiourea-κS)antimony(III) chloride Acta Crystallographica Section C 58(2) (2002) m122-m123

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/25/2012536.cif $ #-------------------------------------------------------------------...

2,012,537

8.4505

0.0017

9.955

0.002

12.172

0.002

90

null

98.99

0.03

90

null

1,011.4

0.3

293

2

293

2

null

6

P 1 21/n 1

-P 2yn

14

Tetrakis(dimethyl sulfide)palladium(II) bis(tetrafluoroborate)

- C8 H24 B2 F8 Pd S4 -

- C16 H48 B4 F16 Pd2 S8 -

2

0.5

TR1008

Johansson, Maria H.; Oskarsson, Åke

Tetrakis(dimethyl sulfide)palladium(II) bis(tetrafluoroborate) and tetrakis(1,4-oxathiane-κS)palladium(II) bis(tetrafluoroborate)

Acta Crystallographica Section C

2,002

58

2

m102

m104

10.1107/S0108270101019357

0.71073

MoKα

0.061

0.044

null

0.115

0.127

null

1.087

null

has coordinates,has disorder,has Fobs

Johansson, Maria H.; Oskarsson, Åke Tetrakis(dimethyl sulfide)palladium(II) bis(tetrafluoroborate) and tetrakis(1,4-oxathiane-κS)palladium(II) bis(tetrafluoroborate) Acta Crystallographica Section C 58(2) (2002) m102-m104

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/25/2012537.cif $ #-------------------------------------------------------------------...

2,012,538

8.8804

0.0018

9.5397

0.0019

9.6999

0.0019

94.11

0.03

114.12

0.03

111.79

0.03

671.8

0.4

293

2

293

2

null

7

P -1

-P 1

2

tetrakis(1,4-oxathiane-S)palladium(II) bis(tetrafluoroborate)

- C16 H32 B2 F8 O4 Pd S4 -

1

0.5

TR1008

Johansson, Maria H.; Oskarsson, Åke

Tetrakis(dimethyl sulfide)palladium(II) bis(tetrafluoroborate) and tetrakis(1,4-oxathiane-κS)palladium(II) bis(tetrafluoroborate)

Acta Crystallographica Section C

2,002

58

2

m102

m104

10.1107/S0108270101019357

0.71073

MoKα

0.109

0.08

null

0.188

0.203

null

0.96

null

has coordinates,has Fobs

Johansson, Maria H.; Oskarsson, Åke Tetrakis(dimethyl sulfide)palladium(II) bis(tetrafluoroborate) and tetrakis(1,4-oxathiane-κS)palladium(II) bis(tetrafluoroborate) Acta Crystallographica Section C 58(2) (2002) m102-m104

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/25/2012538.cif $ #-------------------------------------------------------------------...

2,012,539

12.494

0.0001

12.08

0.0003

7.16

0.0003

90

null

105.264

0.001

90

null

1,042.52

0.05

293

2

293

2

null

6

P 1 21/c 1

-P 2ybc

14

sodium 2-hydroxy-5-nitrobenzylsulfonate monohydrate

- C7 H8 N Na O7 S -

- C28 H32 N4 Na4 O28 S4 -

4

1

AV1096

Chruszcz, Maksymilian; Lewinski, Krzysztof; sodium 2-hydroxy-5-nitrobenzylsulfonate monohydrate

The sodium salt of 2-hydroxy-5-nitrobenzylsulfonic acid

Acta Crystallographica Section C

2,002

58

3

m150

m151

10.1107/S0108270102000069

0.71073

MoKα

0.042

0.035

null

0.09

0.094

null

1.097

null

has coordinates,has Fobs

Chruszcz, Maksymilian; Lewinski, Krzysztof; sodium 2-hydroxy-5-nitrobenzylsulfonate monohydrate The sodium salt of 2-hydroxy-5-nitrobenzylsulfonic acid Acta Crystallographica Section C 58(3) (2002) m150-m151

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/25/2012539.cif $ #-------------------------------------------------------------------...

2,012,540

6.957

0.002

12.035

0.003

19.95

0.006

90

null

90.1

0.006

90

null

1,670.4

0.8

293

2

293

2

null

3

P 1 21/n 1

-P 2yn

14

16,16-dimethyl-D-homo-19,B-dinor-8,10-isotestosterone

- C20 H30 O2 -

- C80 H120 O8 -

4

1

AV1099

Egorov, Maxim Sergeevitch; Starova, Galina Leonidovna; Shavva, Alexandr Grigorievitch

Steroid 19,B-dinor-8,10-iso-analogues

Acta Crystallographica Section C

2,002

58

3

o170

o171

10.1107/S0108270102001002

0.71073

MoKα

0.103

0.061

null

0.141

0.164

null

0.909

null

has coordinates,has Fobs

Egorov, Maxim Sergeevitch; Starova, Galina Leonidovna; Shavva, Alexandr Grigorievitch Steroid 19,B-dinor-8,10-iso-analogues Acta Crystallographica Section C 58(3) (2002) o170-o171

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/25/2012540.cif $ #-------------------------------------------------------------------...

2,012,541

8.8785

0.0003

14.9833

0.0006

12.5835

0.0005

90

null

102.065

0.002

90

null

1,637

0.11

298

null

6

C 1 2/c 1

-C 2yc

15

- C4 H12 I3 O2 S2 Tl -

- C16 H48 I12 O8 S8 Tl4 -

4

0.5

BJ1035

Ma, Guibin; Fischer, Andreas; Glaser, Julius

The trigonal‒bipyramidal triiodothallium(III) complex [TlI~3~{(CH~3~)~2~SO}~2~]

Acta Crystallographica Section C

2,002

58

3

m177

m178

10.1107/S0108270101020649

0.71073

MoKα

0.0444

0.0411

null

0.1015

0.1046

null

1.085

null

has coordinates

Ma, Guibin; Fischer, Andreas; Glaser, Julius The trigonal‒bipyramidal triiodothallium(III) complex [TlI~3~{(CH~3~)~2~SO}~2~] Acta Crystallographica Section C 58(3) (2002) m177-m178

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/2/01/25/2012541.cif $ #-------------------------------------------------------------------...

2,012,542

15.566

0.0001

12.664

0.0001

15.046

0.0002

90

null

90.46

0.0006

90

null

2,965.89

0.05

293

2

293

2

null

5

P 1 21/c 1

-P 2ybc

14

Tris(1-ethyl-3-methylimidazolium) hexachlorolanthanate

- C18 H33 Cl6 La N6 -

- C72 H132 Cl24 La4 N24 -

4

1

BJ1036

Matsumoto, Kazuhiko; Tsuda, Tetsuya; Nohira, Toshiyuki; Hagiwara, Rika; Ito, Yasuhiko; Tamada, Osamu

Tris(1-ethyl-3-methylimidazolium) hexachlorolanthanate

Acta Crystallographica Section C

2,002

58

3

m186

m187

10.1107/S0108270101020601

0.7107

MoKα

0.0709

0.0479

null

0.0707

0.0861

null

1.383

null

has coordinates,has Fobs

Matsumoto, Kazuhiko; Tsuda, Tetsuya; Nohira, Toshiyuki; Hagiwara, Rika; Ito, Yasuhiko; Tamada, Osamu Tris(1-ethyl-3-methylimidazolium) hexachlorolanthanate Acta Crystallographica Section C 58(3) (2002) m186-m187

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/25/2012542.cif $ #-------------------------------------------------------------------...

2,012,543

17.055

0.002

16.642

0.004

15.302

0.002

90

null

119.13

0.01

90

null

3,793.8

1.2

295

2

295

2

null

6

C 1 2/c 1

-C 2yc

15

catena-Poly[[di-μ-chloro-bis[(triphenylphosphine)silver(I)]]-μ- 2-aminopyrimidine-κ^2^N^1^:N^3^]

- C40 H35 Ag2 Cl2 N3 P2 -

- C160 H140 Ag8 Cl8 N12 P8 -

4

0.5

BJ1037

Jin, Qiong-Hua; Xin, Xiu-Lan; Ci, Xiao-Yan; Yu, Kai-Bei

catena-Poly[[di-μ-chloro-bis[(triphenylphosphine)silver(I)]]-μ-2-aminopyrimidine-κ^2^N^1^:N^3^]

Acta Crystallographica Section C

2,002

58

3

m174

m176

10.1107/S0108270102001518

0.71073

MoKα

0.035

0.025

null

0.056

0.058

null

1.033

null

has coordinates,has Fobs

Jin, Qiong-Hua; Xin, Xiu-Lan; Ci, Xiao-Yan; Yu, Kai-Bei catena-Poly[[di-μ-chloro-bis[(triphenylphosphine)silver(I)]]-μ-2-aminopyrimidine-κ^2^N^1^:N^3^] Acta Crystallographica Section C 58(3) (2002) m174-m176

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/25/2012543.cif $ #-------------------------------------------------------------------...

2,012,544

10.178

0.0014

10.178

0.0014

8.098

0.0016

90

null

90

null

120

null

726.5

0.2

173

2

173

2

null

6

P -3

-P 3

147

hexakis(pyrazole-N^2^)copper(II) bis(hexafluoroarsenate)

- C18 H24 As2 Cu F12 N12 -

1

0.166667

BJ1038

Otieno, Tom; Blanton, Jaime R.; Hatfield, M. Jason; Asher, Sherry L.; Parkin, Sean

A copper(II)–pyrazole complex cation with f̱ øverline 3 imposed symmetry

Acta Crystallographica Section C

2,002

58

3

m182

m185

10.1107/S010827010200152X

0.71073

MoKα

0.045

0.036

null

0.093

0.097

null

1.06

null

has coordinates,has Fobs

Otieno, Tom; Blanton, Jaime R.; Hatfield, M. Jason; Asher, Sherry L.; Parkin, Sean A copper(II)–pyrazole complex cation with f̱ øverline 3 imposed symmetry Acta Crystallographica Section C 58(3) (2002) m182-m185

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/25/2012544.cif $ #-------------------------------------------------------------------...

2,012,545

9.995

0.001

9.995

0.001

8.052

0.001

90

null

90

null

120

null

696.63

0.13

173

2

173

2

null

8

P -3

-P 3

147

hexakis(pyrazole-N^2^)copper(II) hexafluorophosphate perchlorate

- C18 H24 Cl0.714 Cu F7.716 N12 O2.86 P1.29 -

- C18 H24 Cl0.714 Cu F7.716 N12 O2.856 P1.286 -

1

0.166667

BJ1038

Otieno, Tom; Blanton, Jaime R.; Hatfield, M. Jason; Asher, Sherry L.; Parkin, Sean

A copper(II)‒pyrazole complex cation with f̱ øverline 3 imposed symmetry

Acta Crystallographica Section C

2,002

58

3

m182

m185

10.1107/S010827010200152X

0.71073

MoKα

0.043

0.037

null

0.092

0.096

null

1.065

null

has coordinates,has disorder,has Fobs

Otieno, Tom; Blanton, Jaime R.; Hatfield, M. Jason; Asher, Sherry L.; Parkin, Sean A copper(II)‒pyrazole complex cation with f̱ øverline 3 imposed symmetry Acta Crystallographica Section C 58(3) (2002) m182-m185

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/25/2012545.cif $ #-------------------------------------------------------------------...

2,012,546

9.367

0.002

7.5127

0.0015

36.857

0.007

90

null

93.184

0.009

90

null

2,589.7

0.9

120

null

120

null

3

P 1 21 1

P 2yb

4

stigmasterol hemihydrate

stigmasta-5,22-dien-3β-ol hemihydrate

- C29 H49 O1.5 -

- C116 H196 O6 -

4

2

BK1624

Benavides, Gloria A.; Fronczek, Frank R.; Fischer, Nikolaus H.

Stigmasterol hemihydrate

Acta Crystallographica Section C

2,002

58

3

o131

o132

10.1107/S0108270102000434

0.71073

MoKα

0.09

0.059

null

0.136

0.156

null

1.05

null

has coordinates,has disorder,has Fobs

Benavides, Gloria A.; Fronczek, Frank R.; Fischer, Nikolaus H. Stigmasterol hemihydrate Acta Crystallographica Section C 58(3) (2002) o131-o132

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/2/01/25/2012546.cif $ #-------------------------------------------------------------------...

2,012,547

8.931

0.002

12.338

0.002

17.779

0.003

90

null

90

null

90

null

1,959.1

0.6

120

null

120

null

3

P 21 21 21

P 2ac 2ab

19

ginkgolide A monohydrate

(1R,3S,3aS,4R,6aR,7aR,7bR,8S,10aS,11aS) 3- (1,1dimethylethyl)hexahydro-4,7b-dihydroxy-8-methyl-9H-1,7a- (epoxymethano)-1H,6aH-cyclopenta[c]furo[2,3b]furo[3',2':3,4] cyclopenta[1,2-d]furan-5,9,12(4H)-trione monohydrate

- C20 H26 O10 -

- C80 H104 O40 -

4

1

BK1627

Jianping, Zhao; Muhammad, Ilias; Dunbar, D. Chuck; Khan, Ikhlas A.; Fischer, Nikolaus H.; Fronczek, Frank R.

Three ginkgolide hydrates from Ginkgo biloba L.: ginkgolide A monohydrate, ginkgolide C sesquihydrate and ginkgolide J dihydrate, all determined at 120K

Acta Crystallographica Section C

2,002

58

3

o195

o198

10.1107/S0108270102000689

0.71073

MoKα

0.036

0.032

null

0.08

0.083

null

1.056

null

has coordinates,has Fobs

Jianping, Zhao; Muhammad, Ilias; Dunbar, D. Chuck; Khan, Ikhlas A.; Fischer, Nikolaus H.; Fronczek, Frank R. Three ginkgolide hydrates from Ginkgo biloba L.: ginkgolide A monohydrate, ginkgolide C sesquihydrate and ginkgolide J dihydrate, all determined at 120K Acta Crystallographica Section C 58(3) (2002) o195-...

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/25/2012547.cif $ #-------------------------------------------------------------------...

2,012,548

7.4945

0.0015

12.973

0.003

20.934

0.004

90

null

91

0.02

90

null

2,035

0.7

120

null

120

null

3

P 1 21 1

P 2yb

4

ginkgolide C sesquihydrate

(1S,2R,3S,3aS,4R,6aR,7aR,7bR,8S,10aS,11S,11aR) 3-(1,1-dimethylethyl) hexahydro-2,4,7b,11-tetrahydroxy-8-methyl-9H-1,7a-(epoxymethano)-1H,6aH- cyclopenta[c]furo[2,3b]furo[3',2':3,4]cyclopenta[1,2-d]furan-5,9,12 (4H)-trione sesquihydrate

- C20 H27 O12.5 -

- C20 H24 O12.5 -

- C80 H96 O50 -

4

2

BK1627

Jianping, Zhao; Muhammad, Ilias; Dunbar, D. Chuck; Khan, Ikhlas A.; Fischer, Nikolaus H.; Fronczek, Frank R.

Three ginkgolide hydrates from Ginkgo biloba L.: ginkgolide A monohydrate, ginkgolide C sesquihydrate and ginkgolide J dihydrate, all determined at 120K

Acta Crystallographica Section C

2,002

58

3

o195

o198

10.1107/S0108270102000689

0.71073

MoKα

0.033

0.031

null

0.084

0.086

null

1.045

null

has coordinates,has Fobs

Jianping, Zhao; Muhammad, Ilias; Dunbar, D. Chuck; Khan, Ikhlas A.; Fischer, Nikolaus H.; Fronczek, Frank R. Three ginkgolide hydrates from Ginkgo biloba L.: ginkgolide A monohydrate, ginkgolide C sesquihydrate and ginkgolide J dihydrate, all determined at 120K Acta Crystallographica Section C 58(3) (2002) o195-...

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/2/01/25/2012548.cif $ #-------------------------------------------------------------------...

2,012,549

11.403

0.002

12.95

0.003

13.646

0.003

90

null

90

null

90

null

2,015.1

0.7

120

null

120

null

3

P 21 21 21

P 2ac 2ab

19

ginkgolide J dihydrate

(1S,2R,3S,3aS,4R,6aR,7aR,7bR,8S,10aS,11aS) 3-(1,1-dimethylethyl) hexahydro-2,4,7b-trihydroxy-8-methyl-9H-1,7a-(epoxymethano)-1H, 6aH-cyclopenta[c]furo[2,3-b]furo[3',2':3,4]cyclopenta[1,2-d] furan-5,9,12(4H)-trione dihydrate

- C20 H28 O12 -

- C80 H112 O48 -

4

1

BK1627

Jianping, Zhao; Muhammad, Ilias; Dunbar, D. Chuck; Khan, Ikhlas A.; Fischer, Nikolaus H.; Fronczek, Frank R.

Three ginkgolide hydrates from Ginkgo biloba L.: ginkgolide A monohydrate, ginkgolide C sesquihydrate and ginkgolide J dihydrate, all determined at 120K

Acta Crystallographica Section C

2,002

58

3

o195

o198

10.1107/S0108270102000689

0.71073

MoKα

0.031

0.029

null

0.073

0.074

null

1.034

null

has coordinates,has Fobs

Jianping, Zhao; Muhammad, Ilias; Dunbar, D. Chuck; Khan, Ikhlas A.; Fischer, Nikolaus H.; Fronczek, Frank R. Three ginkgolide hydrates from Ginkgo biloba L.: ginkgolide A monohydrate, ginkgolide C sesquihydrate and ginkgolide J dihydrate, all determined at 120K Acta Crystallographica Section C 58(3) (2002) o195-...

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/25/2012549.cif $ #-------------------------------------------------------------------...

2,012,550

33.132

0.006

9.9664

0.0018

27.505

0.005

90

null

105.331

0.004

90

null

8,759

3

150

2

150

2

null

5

C 1 2/c 1

-C 2yc

15

5-Butyl-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-3- (2,4,6-trimethylphenyl)-isoxazole

- C22 H32 B N O3 -

- C352 H512 B16 N16 O48 -

16

2

BM1469

Harrity, Joseph P. A.; Adams, Harry; Davies, Mark W.; Wybrow, Robert A.J.; Johnson, Christopher N.

5-Butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(2,4,6-trimethylphenyl)isoxazole

Acta Crystallographica Section C

2,002

58

3

o168

o169

10.1107/S0108270101017942

0.71073

MoKα

0.1812

0.0631

null

0.1283

0.1721

null

0.85

null

has coordinates,has disorder,has Fobs

Harrity, Joseph P. A.; Adams, Harry; Davies, Mark W.; Wybrow, Robert A.J.; Johnson, Christopher N. 5-Butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(2,4,6-trimethylphenyl)isoxazole Acta Crystallographica Section C 58(3) (2002) o168-o169

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/25/2012550.cif $ #-------------------------------------------------------------------...

2,012,551

5.852

0.0012

12.897

0.003

16.801

0.003

90

null

90.87

0.03

90

null

1,267.9

0.5

193

2

193

2

null

5

P 1 21/c 1

-P 2ybc

14

Aqua[bis(pyrimidin-2-yl-κN)amine](carbonato-κ^2^O,O')copper(II) dihydrate

- C9 H13 Cu N5 O6 -

- C36 H52 Cu4 N20 O24 -

4

1

BM1478

Albada, Gerard A. van; Mutikainen, Ilpo; Turpeinen, Urho; Reedijk, Jan

Aqua[bis(pyrimidin-2-yl-κN)amine](carbonato-κ^2^O,O')copper(II) dihydrate

Acta Crystallographica Section C

2,002

58

3

m179

m181

10.1107/S0108270102000860

1.54178

CuKα

0.037

0.036

null

0.101

0.103

null

1.032

null

has coordinates,has Fobs

Albada, Gerard A. van; Mutikainen, Ilpo; Turpeinen, Urho; Reedijk, Jan Aqua[bis(pyrimidin-2-yl-κN)amine](carbonato-κ^2^O,O')copper(II) dihydrate Acta Crystallographica Section C 58(3) (2002) m179-m181

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/25/2012551.cif $ #-------------------------------------------------------------------...

2,012,552

12.5056

0.0014

13.3082

0.0016

12.9491

0.0014

90

null

117.695

0.002

90

null

1,908.2

0.4

293

2

293

2

null

4

P 1 21 1

P 2yb

4

methyl-5-(S)-[2-(S)-methoxycarbonyl)-2,3,4,5-tetrahydropyrrol-1-ylcarbonyl]- 1-(4-methylphenyl)-4,5-dihydropyrazole-3-carboxylate. methyl-5-(S)-[2-(R)-methoxycarbonyl)-2,3,4,5-tetrahydropyrrol-1-ylcarbonyl]- 1-(4-methylphenyl)-4,5-dihydropyrazole-3-carboxylate co-crystal (1/1)

- C38 H46 N6 O10 -

- C76 H92 N12 O20 -

2

1

BM1481

Pilati, Tullio; Casalone, Gianluigi

The diastereoisomers methyl 5-(S)-[2-(R)/(S)-methoxycarbonyl)-2,3,4,5-tetrahydropyrrol-1-ylcarbonyl]-1-(4-methylphenyl)-4,5-dihydropyrazole-3-carboxylate

Acta Crystallographica Section C

2,002

58

3

o178

o180

10.1107/S0108270101021552

0.71069

MoKα

0.05

0.039

null

0.095

0.101

null

0.937

null

has coordinates,has Fobs

Pilati, Tullio; Casalone, Gianluigi The diastereoisomers methyl 5-(S)-[2-(R)/(S)-methoxycarbonyl)-2,3,4,5-tetrahydropyrrol-1-ylcarbonyl]-1-(4-methylphenyl)-4,5-dihydropyrazole-3-carboxylate Acta Crystallographica Section C 58(3) (2002) o178-o180

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/25/2012552.cif $ #-------------------------------------------------------------------...

2,012,553

6.9782

0.0009

17.56

0.02

7.7576

0.001

90

null

103.884

0.005

90

null

922.8

1.1

293

2

293

2

null

4

P 1 21 1

P 2yb

4

methyl-5-(S)-[2-(S)-methoxycarbonyl)-2,3,4,5-tetrahydropyrrol-1-ylcarbonyl]- 1-(4-methylphenyl)-4,5-dihydropyrazole-3-carboxylate

- C19 H23 N3 O5 -

- C38 H46 N6 O10 -

2

1

BM1481

Pilati, Tullio; Casalone, Gianluigi

The diastereoisomers methyl 5-(S)-[2-(R)/(S)-methoxycarbonyl)-2,3,4,5-tetrahydropyrrol-1-ylcarbonyl]-1-(4-methylphenyl)-4,5-dihydropyrazole-3-carboxylate

Acta Crystallographica Section C

2,002

58

3

o178

o180

10.1107/S0108270101021552

0.71069

MoKα

0.039

0.029

null

0.059

0.061

null

0.844

null

has coordinates

Pilati, Tullio; Casalone, Gianluigi The diastereoisomers methyl 5-(S)-[2-(R)/(S)-methoxycarbonyl)-2,3,4,5-tetrahydropyrrol-1-ylcarbonyl]-1-(4-methylphenyl)-4,5-dihydropyrazole-3-carboxylate Acta Crystallographica Section C 58(3) (2002) o178-o180

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/25/2012553.cif $ #-------------------------------------------------------------------...

2,012,554

7.0305

0.0012

7.686

0.002

18.951

0.004

90

null

93.69

0.02

90

null

1,021.9

0.4

293

2

293

2

null

4

P 1 21/c 1

-P 2ybc

14

5NBD

4-nitro-7-(pyrrolidin-1-yl)-2,1,3-benzoxadiazole

- C10 H10 N4 O3 -

- C40 H40 N16 O12 -

4

1

BM1482

Saha, Satyen

4-Amino derivatives of 7-nitro-2,1,3-benzoxadiazole: the effect of the amino moiety on the structure of fluorophores

Acta Crystallographica Section C

2,002

58

3

o174

o177

10.1107/S0108270102000173

0.71073

MoKα

0.084

0.04

null

0.098

0.13

null

1.107

null

has coordinates,has Fobs

Saha, Satyen 4-Amino derivatives of 7-nitro-2,1,3-benzoxadiazole: the effect of the amino moiety on the structure of fluorophores Acta Crystallographica Section C 58(3) (2002) o174-o177

201,957

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-10-13 03:48:21 +0300 (Fri, 13 Oct 2017) $ #$Revision: 201957 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/25/2012554.cif $ #-------------------------------------------------------------------...

2,012,555

6.7644

0.0019

21.277

0.006

7.788

0.006

90

null

94.22

0.05

90

null

1,117.9

1

293

2

293

2

null

4

P 1 21/c 1

-P 2ybc

14

6NBD

4-nitro-7-(piperidin-1-yl)-2,1,3-benzoxadiazole

- C11 H12 N4 O3 -

- C44 H48 N16 O12 -

4

1

BM1482

Saha, Satyen

4-Amino derivatives of 7-nitro-2,1,3-benzoxadiazole: the effect of the amino moiety on the structure of fluorophores

Acta Crystallographica Section C

2,002

58

3

o174

o177

10.1107/S0108270102000173

0.71073

MoKα

0.191

0.069

null

0.146

0.224

null

1.045

null

has coordinates,has Fobs

Saha, Satyen 4-Amino derivatives of 7-nitro-2,1,3-benzoxadiazole: the effect of the amino moiety on the structure of fluorophores Acta Crystallographica Section C 58(3) (2002) o174-o177

201,957

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-10-13 03:48:21 +0300 (Fri, 13 Oct 2017) $ #$Revision: 201957 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/25/2012555.cif $ #-------------------------------------------------------------------...

2,012,556

7.4909

0.0016

10.8002

0.0014

15.1001

0.0019

90

null

98.958

0.014

90

null

1,206.7

0.3

293

2

293

2

null

4

P 1 21/c 1

-P 2ybc

14

7NBD

4-(azepan-1-yl)-7-nitro-2,1,3-benzoxadiazole

- C12 H14 N4 O3 -

- C48 H56 N16 O12 -

4

1

BM1482

Saha, Satyen

4-Amino derivatives of 7-nitro-2,1,3-benzoxadiazole: the effect of the amino moiety on the structure of fluorophores

Acta Crystallographica Section C

2,002

58

3

o174

o177

10.1107/S0108270102000173

0.71073

MoKα

0.106

0.051

null

0.125

0.174

null

1.027

null

has coordinates,has Fobs

Saha, Satyen 4-Amino derivatives of 7-nitro-2,1,3-benzoxadiazole: the effect of the amino moiety on the structure of fluorophores Acta Crystallographica Section C 58(3) (2002) o174-o177

201,957

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-10-13 03:48:21 +0300 (Fri, 13 Oct 2017) $ #$Revision: 201957 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/25/2012556.cif $ #-------------------------------------------------------------------...

2,012,557

11.0778

0.0011

17.535

0.002

15.4159

0.0018

90

null

98.722

0.008

90

null

2,959.9

0.6

173

2

173

2

null

5

P 1 21/c 1

-P 2ybc

14

Chlorobis(triphenylphosphine)nickel(I)

- C36 H30 Cl Ni P2 -

- C144 H120 Cl4 Ni4 P8 -

4

1

BM1484

Norman, Nicholas C.; Orpen, A Guy.; Quayle, Michael J.; Whittell, George R.

Chlorobis(triphenylphosphine)nickel(I)

Acta Crystallographica Section C

2,002

58

3

m160

m161

10.1107/S010827010200032X

0.71073

MoKα

0.0513

0.0306

null

0.066

0.0716

null

0.923

null

has coordinates,has Fobs

Norman, Nicholas C.; Orpen, A Guy.; Quayle, Michael J.; Whittell, George R. Chlorobis(triphenylphosphine)nickel(I) Acta Crystallographica Section C 58(3) (2002) m160-m161

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/25/2012557.cif $ #-------------------------------------------------------------------...

2,012,558

6.157

0.0012

12.308

0.003

7.561

0.0015

90

null

97.74

0.03

90

null

567.8

0.2

293

2

293

2

null

4

P 1 21/n 1

-P 2yn

14

rubidium manganese hexathiodiphosphate

- Mn P2 Rb2 S6 -

- Mn2 P4 Rb4 S12 -

2

0.5

BR1335

Taylor, Stephen P.; Krawiec, Mariusz; Hwu, Shiou-Jyh

High-temperature synthesis of Rb~2~MnP~2~S~6~ in molten salt medium

Acta Crystallographica Section C

2,002

58

3

i27

i28

10.1107/S0108270101018017

0.71073

MoKα

0.06

0.0549

null

0.1349

0.1369

null

1.318

null

has coordinates,has Fobs

Taylor, Stephen P.; Krawiec, Mariusz; Hwu, Shiou-Jyh High-temperature synthesis of Rb~2~MnP~2~S~6~ in molten salt medium Acta Crystallographica Section C 58(3) (2002) i27-i28

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/25/2012558.cif $ #-------------------------------------------------------------------...

2,012,559

4.38088

0.00004

4.38088

0.00004

15.46525

0.00017

90

null

90

null

90

null

296.811

0.005

293

null

293

null

3

I 41/a m d :2

-I 4bd 2

141

Caesium hydroxide monohydrate

- Cs H3 O2 -

- Cs4 H12 O8 -

4

0.125

BR1352

Černý, Radovan; Favre-Nicolin, Vincent; Bertheville, Bernard

A tetragonal polymorph of caesium hydroxide monohydrate, CsOH·H~2~O, from X-ray powder data

Acta Crystallographica Section C

2,002

58

3

i31

i32

10.1107/S0108270101021928

0.48562

synchrotron

null

2.28

null

has coordinates

Černý, Radovan; Favre-Nicolin, Vincent; Bertheville, Bernard A tetragonal polymorph of caesium hydroxide monohydrate, CsOH·H~2~O, from X-ray powder data Acta Crystallographica Section C 58(3) (2002) i31-i32

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/25/2012559.cif $ #-------------------------------------------------------------------...