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

2,006,172

6.1863

0.0002

12.5481

0.0004

19.8831

0.0006

90

null

90

null

90

null

1,543.45

0.08

150

2

150

2

null

4

P 21 21 21

P 2ac 2ab

19

L-leucyl-L-alanine tetrahydrate

- C9 H26 N2 O7 -

- C36 H104 N8 O28 -

4

1

AB1443

Görbitz, Carl Henrik

Cyclic Water Pentamers in L-Leucyl-L-alanine Tetrahydrate

Acta Crystallographica Section C

1,997

53

6

736

739

10.1107/S0108270196015946

0.71073

MoKα

0.0455

0.038

null

0.0905

0.0857

null

1.142

1.137

null

has coordinates,has Fobs

Görbitz, Carl Henrik Cyclic Water Pentamers in L-Leucyl-L-alanine Tetrahydrate Acta Crystallographica Section C 53(6) (1997) 736-739

301,791

2025-08-18

23:15:28

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4,322,081

15.7318

0.0015

8.9164

0.001

17.205

0.002

90

null

102.431

0.006

90

null

2,356.8

0.4

300

2

300

2

null

7

P 1 21/c 1

-P 2ybc

14

Complex 2

[(N-(2-(1-naphthyl)ethyl)-1-aza-4,8-dithiacyclodecane)copper(I)] hexafluorophosphate

- C22 H31 Cu F6 N P S2 -

- C88 H124 Cu4 F24 N4 P4 S8 -

4

1

Rebecca R. Conry; William S. Striejewske; A. Alex Tipton

Copper(I) Complexes with a NS2-Macrocyclic Ligand Bearing a Pendant Naphthyl Group: Structures of {N-[2-(1-Naphthyl)ethyl]-1-aza-4,8-dithiacyclodecane}copper(I)-Ligand, where Ligand = η2-Naphthalene, Acetonitrile, or Triphenylphosphine

Inorganic Chemistry

1,999

38

2833

2843

10.1021/ic981418p

0.71073

MoKα

0.1126

0.0587

null

0.1545

0.1285

null

1.02

1.115

null

has coordinates,has disorder

Rebecca R. Conry; William S. Striejewske; A. Alex Tipton Copper(I) Complexes with a NS2-Macrocyclic Ligand Bearing a Pendant Naphthyl Group: Structures of {N-[2-(1-Naphthyl)ethyl]-1-aza-4,8-dithiacyclodecane}copper(I)-Ligand, where Ligand = η2-Naphthalene, Acetonitrile, or Triphenylphosphine Inorganic Chemistry 38 (199...

179,323

2020-10-21

18:00:00

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2,006,173

11.959

0.003

14.696

0.004

20.203

0.004

90

null

91.54

0.02

90

null

3,549.4

1.5

294

2

294

2

null

7

P 1 21/c 1

-P 2ybc

14

{7,8-μ-thiobenzate}-{7,11-μ-thiobenzate}-10-(triphenylphosphine)- nido-7-nickelaundecaborane

- C32 H33 B10 Ni O2 P S2 -

- C128 H132 B40 Ni4 O8 P4 S8 -

4

1

AB1444

Dou, Jian-Min; Hu, Chun-Hua; Yao, Hai-Jun; Li, Wen; Jin, Ruo-Shui; Zheng, Pei-Ju

A Cycloboronated Nickelaundecaborane: [(PhCOS)~2~NiB~10~H~8~(PPh~3~)]

Acta Crystallographica Section C

1,997

53

6

693

695

10.1107/S0108270197002242

0.71073

MoKα

0.0639

0.0321

null

0.106

0.0857

null

1.065

1.042

null

has coordinates,has Fobs

Dou, Jian-Min; Hu, Chun-Hua; Yao, Hai-Jun; Li, Wen; Jin, Ruo-Shui; Zheng, Pei-Ju A Cycloboronated Nickelaundecaborane: [(PhCOS)~2~NiB~10~H~8~(PPh~3~)] Acta Crystallographica Section C 53(6) (1997) 693-695

176,759

2020-10-21

18:00:00

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2,006,174

11.043

0.005

15.524

0.003

23.016

0.003

90

0.02

91.28

0.02

90

0.03

3,945

2

294

2

294

2

null

7

P 1 21/n 1

-P 2yn

14

{2,7-μ-thiobenzoate}-{3,7-μ-thiobenzoate}-7-(triphenyl-phosphine)-nido- 7-nickelaundecaborane

- C36 H42 B10 Ni O2 P S2 -

- C35 H35 B10 Ni O2 P S2 -

- C140 H140 B40 Ni4 O8 P4 S8 -

4

1

AB1447

Chun-Hua Hu; Jian-Min Dou; Hai-Jun Yao; Wen Li; Ruo-Shui Jin; Pei-Ju Zheng

ortho-Cycloboronation of a Thiobenzoate Cluster: [(PPh~3~)(PhCṟidge{OS)_{2}NiB}{12.5mm}~10~H~10~].0.5C~6~H~14~

Acta Crystallographica Section C

1,997

53

6

695

697

10.1107/S0108270197002254

0.71073

MoKα

0.074

0.0428

null

0.1578

0.1253

null

0.986

0.936

null

has coordinates

Chun-Hua Hu; Jian-Min Dou; Hai-Jun Yao; Wen Li; Ruo-Shui Jin; Pei-Ju Zheng ortho-Cycloboronation of a Thiobenzoate Cluster: [(PPh~3~)(PhCṟidge{OS)_{2}NiB}{12.5mm}~10~H~10~].0.5C~6~H~14~ Acta Crystallographica Section C 53(6) (1997) 695-697

176,435

2020-10-21

18:00:00

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2,006,175

9.054

0.005

11.467

0.004

8.512

0.003

110.66

0.03

109.01

0.04

76.51

0.04

774.8

0.6

173

1

173

1

null

4

P -1

-P 1

2

N-acridinium-9-yl-N'-propylidenehydrazine thiocyanate

- C17 H16 N4 S -

- C34 H32 N8 S2 -

2

1

AB1449

Linden, Anthony; Guspanová, Jana; Bernát, Juraj; Kristian, Pavol

9-Propylidenehydrazino-10-acridinium Thiocyanate at 173K

Acta Crystallographica Section C

1,997

53

6

732

734

10.1107/S010827019700108X

0.71069

MoKα

0.0923

0.0524

null

0.0556

0.0526

null

2.145

null

has coordinates

Linden, Anthony; Guspanová, Jana; Bernát, Juraj; Kristian, Pavol 9-Propylidenehydrazino-10-acridinium Thiocyanate at 173K Acta Crystallographica Section C 53(6) (1997) 732-734

301,791

2025-08-18

23:15:28

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2,006,176

16.178

0.002

16.178

0.002

12.462

0.003

90

null

90

null

90

null

3,261.7

1

160

2

160

2

null

5

P 42/n :2

-P 4bc

86

benzyltrimethylammonium tetramethoxyborate

- C14 H28 B N O4 -

- C112 H224 B8 N8 O32 -

8

1

AB1461

Clegg, William; Errington, R. John; Carmalt, Claire J.

Benzyltrimethylammonium Tetramethoxoborate

Acta Crystallographica Section C

1,997

53

6

751

753

10.1107/S0108270197003508

0.71073

MoKα

0.0898

0.0496

null

0.1423

0.1125

null

1.033

1.009

null

has coordinates

Clegg, William; Errington, R. John; Carmalt, Claire J. Benzyltrimethylammonium Tetramethoxoborate Acta Crystallographica Section C 53(6) (1997) 751-753

301,791

2025-08-18

23:15:28

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2,006,177

10.969

0.002

20.492

0.004

11.637

0.002

90

null

99.13

0.01

90

null

2,582.6

0.8

294

null

294

null

5

P 1 21/n 1

-P 2yn

14

Dichlorobis(1,10-phenanthroline-N1,N10)cobalt(II) Acetonitrile sesquisolvate

- C27 H20.5 Cl2 Co N5.5 -

- C27 H16 Cl2 Co N5.5 -

- C108 H64 Cl8 Co4 N22 -

4

1

AB1462

Alan Hazell; John McGinley; Christine J. McKenzie

Dichlorobis(1,10-phenanthroline-N,N')cobalt(II)‒Acetonitrile (1/1.5)

Acta Crystallographica Section C

1,997

53

6

723

725

10.1107/S0108270197004150

0.71073

MoKα

null

0.045

null

0.056

null

1.176

null

has coordinates,has Fobs

Alan Hazell; John McGinley; Christine J. McKenzie Dichlorobis(1,10-phenanthroline-N,N')cobalt(II)‒Acetonitrile (1/1.5) Acta Crystallographica Section C 53(6) (1997) 723-725

176,435

2020-10-21

18:00:00

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2,006,178

13.811

0.002

14.0419

0.0015

22.409

0.003

90

null

97.391

0.011

90

null

4,309.7

1

294

1

294

1

null

7

P 1 21/c 1

-P 2ybc

14

9,12-dibromo-3,3-bis(triphenylphosphine-P)-1,2-dicarba-3-hydrido-3-rhoda- closo-dodecaborane‒dichloromethane(1/1)

- C39 H42 B9 Br2 Cl2 P2 Rh -

- C156 H168 B36 Br8 Cl8 P8 Rh4 -

4

1

AB1472

McEneaney, Patricia A.; Spalding, Trevor R.; Meehan, Paul R.; Ferguson, George

9,12-Dibromo-3,3-bis(triphenylphosphine-P)-1,2-dicarba-3-hydrido-3-rhoda-closo-dodecaborane‒Dichloromethane (1/1)

Acta Crystallographica Section C

1,997

53

6

685

687

10.1107/S0108270197003715

0.7107

MolybdenumKα

0.1302

0.0656

null

0.1346

null

0.1152

null

0.919

null

1.099

null

has coordinates

McEneaney, Patricia A.; Spalding, Trevor R.; Meehan, Paul R.; Ferguson, George 9,12-Dibromo-3,3-bis(triphenylphosphine-P)-1,2-dicarba-3-hydrido-3-rhoda-closo-dodecaborane‒Dichloromethane (1/1) Acta Crystallographica Section C 53(6) (1997) 685-687

176,759

2020-10-21

18:00:00

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2,006,179

11.437

0.002

7.579

0.001

17.335

0.002

90

null

95.09

0.03

90

null

1,496.7

0.4

160

2

160

2

null

5

P 1 21/c 1

-P 2ybc

14

- C14 H8 Cl4 N2 O -

- C56 H32 Cl16 N8 O4 -

4

1

AB1474

Clegg, William; Elsegood, Mark R. J.; Jackson, Richard F. W.; Fraser, Joanne L.; Emsden, Lee J.

N-(2,3,5,6-Tetrachloropyrid-4-yl)cinnamide

Acta Crystallographica Section C

1,997

53

6

797

799

10.1107/S0108270197004162

0.71073

MoKα

0.057

0.0464

null

0.1267

0.1177

null

1.061

1.074

null

has coordinates

Clegg, William; Elsegood, Mark R. J.; Jackson, Richard F. W.; Fraser, Joanne L.; Emsden, Lee J. N-(2,3,5,6-Tetrachloropyrid-4-yl)cinnamide Acta Crystallographica Section C 53(6) (1997) 797-799

301,791

2025-08-18

23:15:28

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4,322,080

11.1901

0.001

11.2735

0.0012

12.135

0.001

98.996

0.008

117.188

0.006

105.354

0.007

1,242.6

0.2

293

2

293

2

null

7

P -1

-P 1

2

Complex 1

[(N-(2-(1-naphthyl)ethyl)-1-aza-4,8- dithiacyclodecane)copper(I)(acetonitrile)]hexafluorophosphate

- C21 H28 Cu F6 N2 P S2 -

- C42 H56 Cu2 F12 N4 P2 S4 -

2

1

Rebecca R. Conry; William S. Striejewske; A. Alex Tipton

Copper(I) Complexes with a NS2-Macrocyclic Ligand Bearing a Pendant Naphthyl Group: Structures of {N-[2-(1-Naphthyl)ethyl]-1-aza-4,8-dithiacyclodecane}copper(I)-Ligand, where Ligand = η2-Naphthalene, Acetonitrile, or Triphenylphosphine

Inorganic Chemistry

1,999

38

2833

2843

10.1021/ic981418p

0.71073

MoKα

0.0648

0.0505

null

0.1418

0.1291

null

1.053

1.087

null

has coordinates,has disorder

Rebecca R. Conry; William S. Striejewske; A. Alex Tipton Copper(I) Complexes with a NS2-Macrocyclic Ligand Bearing a Pendant Naphthyl Group: Structures of {N-[2-(1-Naphthyl)ethyl]-1-aza-4,8-dithiacyclodecane}copper(I)-Ligand, where Ligand = η2-Naphthalene, Acetonitrile, or Triphenylphosphine Inorganic Chemistry 38 (199...

301,838

2025-08-20

22:17:36

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2,006,180

32.403

0.006

7.668

0.002

14.127

0.003

90

null

109.2

0.03

90

null

3,314.8

1.4

103

2

103

2

null

5

C 1 2/c 1

-C 2yc

15

N-Methylbenzothiazole-2(3H)-selone

- C8 H7 N S Se -

- C128 H112 N16 S16 Se16 -

16

2

AV1002

Husebye, Steinar; Lindeman, Sergey V.; Rudd, Martin D.

N-Methylbenzothiazole-2(3H)-selone, C~8~H~7~NSSe

Acta Crystallographica Section C

1,997

53

6

809

811

10.1107/S0108270197000309

0.71069

MoKα

0.0895

0.0529

null

0.1648

0.1244

null

1.091

1.085

null

has coordinates,has Fobs

Husebye, Steinar; Lindeman, Sergey V.; Rudd, Martin D. N-Methylbenzothiazole-2(3H)-selone, C~8~H~7~NSSe Acta Crystallographica Section C 53(6) (1997) 809-811

301,791

2025-08-18

23:15:28

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2,006,181

25.372

0.001

25.372

0.001

12.726

0.002

90

null

90

null

90

null

8,192.2

1.4

183

2

183

2

null

7

P 43

P 4cw

78

- C40 H32 F12 N7 O0.5 P2 Ru -

- C320 H256 F96 N56 O4 P16 Ru8 -

8

2

BK1256

Maloney, David J.; MacDonnell, Frederick M.

Λ-Tris(1,10-phenanthroline-N,N')ruthenium(II) Bis(hexafluorophosphate)‒Acetonitrile‒Diethyl Ether (1/1/0.5)

Acta Crystallographica Section C

1,997

53

6

705

707

10.1107/S0108270197001091

0.71073

MoKα

0.01

0.063

null

0.16

0.139

null

1.04

1.07

null

has coordinates,has Fobs

Maloney, David J.; MacDonnell, Frederick M. Λ-Tris(1,10-phenanthroline-N,N')ruthenium(II) Bis(hexafluorophosphate)‒Acetonitrile‒Diethyl Ether (1/1/0.5) Acta Crystallographica Section C 53(6) (1997) 705-707

176,435

2020-10-21

18:00:00

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2,006,182

24.612

0.002

3.8302

0.0004

8.501

0.0005

90

null

90

null

90

null

801.38

0.12

293

null

293

null

4

P n a 21

P 2c -2n

33

Theophylline

3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione

- C7 H8 N4 O2 -

- C28 H32 N16 O8 -

4

1

BK1284

Ebisuzaki, Yukiko; Boyle, Paul D.; Smith, Jennifer A.

Methylxanthines. I. Anhydrous Theophylline

Acta Crystallographica Section C

1,997

53

6

777

779

10.1107/S0108270197001960

0.71073

MolybdenumKα

0.053

null

0.056

null

1.65

null

has coordinates

Ebisuzaki, Yukiko; Boyle, Paul D.; Smith, Jennifer A. Methylxanthines. I. Anhydrous Theophylline Acta Crystallographica Section C 53(6) (1997) 777-779

301,791

2025-08-18

23:15:28

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2,006,183

10.199

0.002

6.543

0.001

18.145

0.003

90

null

104.77

0.01

90

null

1,170.8

0.4

293

2

293

2

null

6

P 1 21/n 1

-P 2yn

14

- C10 H8 Cd N2 O3 S2 -

- C40 H32 Cd4 N8 O12 S8 -

4

1

BK1303

Baggio, Sergio; Pardo, Maria I.; Baggio, Ricardo; Garland, Maria Teresa

(2,2'-Bipyridine-N,N')(μ-thiosulfato)cadmium(II)

Acta Crystallographica Section C

1,997

53

6

727

729

10.1107/S0108270197001972

0.71073

MoKα

0.0286

0.022

null

0.0534

0.0506

null

1.067

1.084

null

has coordinates

Baggio, Sergio; Pardo, Maria I.; Baggio, Ricardo; Garland, Maria Teresa (2,2'-Bipyridine-N,N')(μ-thiosulfato)cadmium(II) Acta Crystallographica Section C 53(6) (1997) 727-729

176,435

2020-10-21

18:00:00

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2,006,184

11.049

0.001

4.7982

0.0009

22.682

0.001

90

null

90.108

0.006

90

null

1,202.5

0.3

296

null

296

null

3

P 1 21/n 1

-P 2yn

14

1,8-bis(hydroxymethyl)anthracene

- C16 H14 O2 -

- C64 H56 O8 -

4

1

BK1309

Aumiller, Wade D.; Gerkin, Roger E.

1,8-Bis(hydroxymethyl)anthracene

Acta Crystallographica Section C

1,997

53

6

769

771

10.1107/S0108270197001108

0.71073

MoKα

null

0.06

null

0.06

null

1.67

null

has coordinates

Aumiller, Wade D.; Gerkin, Roger E. 1,8-Bis(hydroxymethyl)anthracene Acta Crystallographica Section C 53(6) (1997) 769-771

301,791

2025-08-18

23:15:28

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2,006,185

7.4948

0.0003

11.5989

0.0006

27.147

0.003

90

null

90

null

90

null

2,359.9

0.3

293

2

293

2

null

4

P n a 21

P 2c -2n

33

2,3-benzo-1,4-dioxa-7,10,13-triazacyclopentadec-2-ene-6,14-dione.H~2O. picrate complex

- C20 H24 N6 O12 -

- C80 H96 N24 O48 -

4

1

BM1115

Hundal, Geeta; Kumar, Subodh; Hundal, Maninder Singh; Singh, Harjit; Sanz-Aparicio, Julia; Martinez-Ripoll, Martin

10H^+^-2,3-Benzo-1,4-dioxa-7,10,13-triazacyclopentadec-2-ene-6,14-dione Picrate Hydrate (1/1/1)

Acta Crystallographica Section C

1,997

53

6

799

801

10.1107/S0108270196015041

1.5418

CuKα

0.045

0.0399

null

0.1071

0.0997

null

1.089

1.073

null

has coordinates

Hundal, Geeta; Kumar, Subodh; Hundal, Maninder Singh; Singh, Harjit; Sanz-Aparicio, Julia; Martinez-Ripoll, Martin 10H^+^-2,3-Benzo-1,4-dioxa-7,10,13-triazacyclopentadec-2-ene-6,14-dione Picrate Hydrate (1/1/1) Acta Crystallographica Section C 53(6) (1997) 799-801

176,759

2020-10-21

18:00:00

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2,006,186

9.854

0.004

6.352

0.004

19.372

0.006

90

null

90.52

0.03

90

null

1,212.5

1

293

2

293

2

null

5

P 1 21/c 1

-P 2ybc

14

methylhexamethylenetetramine fluoride tetrahydrate

- C7 H23 F N4 O4 -

- C28 H92 F4 N16 O16 -

4

1

BM1129

Nightingale, David J.; Cronin, Leroy; Clark, James H.

Methylhexamethylenetetramine Fluoride Tetrahydrate, MeHMTAF.4H~2~O

Acta Crystallographica Section C

1,997

53

6

789

791

10.1107/S0108270197000541

0.71069

MoKα

0.2852

0.0828

null

0.2541

0.1769

null

0.993

1.301

null

has coordinates

Nightingale, David J.; Cronin, Leroy; Clark, James H. Methylhexamethylenetetramine Fluoride Tetrahydrate, MeHMTAF.4H~2~O Acta Crystallographica Section C 53(6) (1997) 789-791

301,791

2025-08-18

23:15:28

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2,006,187

8.648

0.004

11.561

0.008

8.189

0.004

90

null

114.43

0.04

90

null

745.4

0.8

220

0.2

220

0.2

null

4

P 1 21/c 1

-P 2ybc

14

- C9 H7 N O -

- C36 H28 N4 O4 -

4

1

BM1136

Clelland, Iain C.; McNab, Hamish; Parsons, Simon

α-Formylphenylacetonitrile in the Solid State at 220K

Acta Crystallographica Section C

1,997

53

6

807

809

10.1107/S0108270197002382

1.54178

CuKα

0.0454

0.0359

null

0.0976

0.0922

null

1.045

1.096

null

has coordinates

Clelland, Iain C.; McNab, Hamish; Parsons, Simon α-Formylphenylacetonitrile in the Solid State at 220K Acta Crystallographica Section C 53(6) (1997) 807-809

301,791

2025-08-18

23:15:28

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4,322,079

8.8353

0.0004

16.728

0.001

12.2105

0.0009

90

null

112.543

0.004

90

null

1,666.78

0.18

293

2

293

2

null

5

P 1 21/c 1

-P 2ybc

14

- C12 H25 B8 Fe N -

- C48 H100 B32 Fe4 N4 -

4

1

Josef Holub; Bohumír Grüner; Ivana Císařová; Jiří Fusek; Zbyněk Plzák; Francesc Teixidor; Clara Viñas; Bohumil Štíbr

A Series of the Twelve-Vertex Ferratricarbollides [2-(η^5^-C~5~H~5~)-9-X-closo-2,1,7,9-FeC~3~B~8~H~10~] where X = H~2~N, MeHN,Me~2~N,Bu^t^HN, and Bu^t^(Me)N. A Highly Stable Metallatricarbaborane System with Amine Functions in the Para Position to the Metal Center

Inorganic Chemistry

1,999

38

2775

2780

10.1021/ic981400e

0.71069

MoKα

0.0369

0.03

null

0.0828

0.0872

null

1.013

null

has coordinates

Josef Holub; Bohumír Grüner; Ivana Císařová; Jiří Fusek; Zbyněk Plzák; Francesc Teixidor; Clara Viñas; Bohumil Štíbr A Series of the Twelve-Vertex Ferratricarbollides [2-(η^5^-C~5~H~5~)-9-X-closo-2,1,7,9-FeC~3~B~8~H~10~] where X = H~2~N, MeHN,Me~2~N,Bu^t^HN, and Bu^t^(Me)N. A Highly Stable Metallatricarbaborane System ...

179,323

2020-10-21

18:00:00

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2,006,188

6.107

0.001

17.653

0.004

14.448

0.003

90

null

94.8

0.03

90

null

1,552.1

0.5

293

2

293

2

null

6

P 1 21/c 1

-P 2ybc

14

[Chloro-penta(ammine)]cobalt(III) [(hydroxy)(nitroso)tetra(nitro)]ruthenoate

- Cl Co H16 N10 O10 Ru -

- Cl4 Co4 H64 N40 O40 Ru4 -

4

1

BR1156

Belsky, Vitaly K.; Kokunova, Vera N.

Pentaamminechlorocobalt(III) Hydroxotetranitronitrosylruthenate(III)

Acta Crystallographica Section C

1,997

53

6

659

661

10.1107/S0108270196014631

0.71069

MoKα

0.0198

null

0.0557

null

1.088

null

has coordinates

Belsky, Vitaly K.; Kokunova, Vera N. Pentaamminechlorocobalt(III) Hydroxotetranitronitrosylruthenate(III) Acta Crystallographica Section C 53(6) (1997) 659-661

176,759

2020-10-21

18:00:00

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2,006,189

9.091

0.001

5.231

0.001

5.57

0.001

90

null

90.94

0.01

90

null

264.85

0.08

293

2

293

2

null

4

P 1 21/n 1

-P 2yn

14

Magnesium hydrogen selenite

Magnesium bis[hydrogentrioxoselenate(IV)]

- H2 Mg O6 Se2 -

- H4 Mg2 O12 Se4 -

2

0.5

BR1165

Boldt, Kai; Engelen, Bernward; Unterderweide, Klaus

A New Acid Selenite: Mg(HSeO~3~)~2~

Acta Crystallographica Section C

1,997

53

6

666

668

10.1107/S0108270197000462

0.71069

MoKα

0.0366

0.0235

null

0.056

0.0547

null

1.184

1.262

null

has coordinates

Boldt, Kai; Engelen, Bernward; Unterderweide, Klaus A New Acid Selenite: Mg(HSeO~3~)~2~ Acta Crystallographica Section C 53(6) (1997) 666-668

176,759

2020-10-21

18:00:00

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2,006,190

6.0341

0.0004

6.0341

0.0004

7.7888

0.0006

90

null

90

null

90

null

283.59

0.03

295

null

295

null

3

I 41/a m d :2

-I 4bd 2

141

- Cr2 Cu O4 -

- Cr8 Cu4 O16 -

4

0.125

BR1169

W.A. Dollase; H.St.C. O'Neill

The Spinels CuCr~2~O~4~ and CuRh~2~O~4~

Acta Crystallographica Section C

1,997

53

6

657

659

10.1107/S0108270197000486

1.54184

CuKα

null

1.36

null

has coordinates

W.A. Dollase; H.St.C. O'Neill The Spinels CuCr~2~O~4~ and CuRh~2~O~4~ Acta Crystallographica Section C 53(6) (1997) 657-659

176,759

2020-10-21

18:00:00

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2,006,191

6.1756

0.0005

6.1756

0.0005

7.9006

0.0006

90

null

90

null

90

null

301.31

0.04

295

null

295

null

3

I 41/a m d :2

-I 4bd 2

141

- Cu O4 Rh2 -

- Cu4 O16 Rh8 -

4

0.125

BR1169

W.A. Dollase; H.St.C. O'Neill

The Spinels CuCr~2~O~4~ and CuRh~2~O~4~

Acta Crystallographica Section C

1,997

53

6

657

659

10.1107/S0108270197000486

1.54184

CuKα

null

2.12

null

has coordinates

W.A. Dollase; H.St.C. O'Neill The Spinels CuCr~2~O~4~ and CuRh~2~O~4~ Acta Crystallographica Section C 53(6) (1997) 657-659

176,435

2020-10-21

18:00:00

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2,006,192

19.903

0.006

13.757

0.005

10.966

0.004

90

null

90.39

0.02

90

null

3,002.5

1.8

163

2

163

2

null

5

P 1 21 1

P 2yb

4

Asperchrome A

- C41 H92 Fe N9 O30 -

- C82 H184 Fe2 N18 O60 -

2

1

BS1004

Hossain, M. Bilayet; Jalal, Mahbubul A. F.; van der Helm, Dick

6-L-Alanineferrirubin, a Ferrichrome-type Siderophore from the Fungus Aspergillus ochraceous

Acta Crystallographica Section C

1,997

53

6

716

718

10.1107/S0108270196015909

0.71073

MoKα

0.0783

0.0648

null

0.183

0.1628

null

1.061

1.079

null

has coordinates

Hossain, M. Bilayet; Jalal, Mahbubul A. F.; van der Helm, Dick 6-L-Alanineferrirubin, a Ferrichrome-type Siderophore from the Fungus Aspergillus ochraceous Acta Crystallographica Section C 53(6) (1997) 716-718

199,470

2020-10-21

18:00:00

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2,006,193

19.244

0.003

8.882

0.001

9.736

0.002

90

null

103.99

0.01

90

null

1,614.8

0.5

220

2

220

2

null

5

P 1 21/c 1

-P 2ybc

14

ferrocenylbenzonitrile

- C20 H19 Fe N O -

- C80 H76 Fe4 N4 O4 -

4

1

BS1011

Zhang, Hongming; Lu, Yingchun; Biehl, Ed

2-(Ferrocenylmethyl)-6-methoxy-3-methylbenzonitrile and 10-(Ferrocenylmethyl)phenanthrene-9-carbonitrile

Acta Crystallographica Section C

1,997

53

6

720

723

10.1107/S0108270196015958

0.71073

MoKα

0.0527

0.0367

null

0.1068

0.0919

null

1.063

1.102

null

has coordinates

Zhang, Hongming; Lu, Yingchun; Biehl, Ed 2-(Ferrocenylmethyl)-6-methoxy-3-methylbenzonitrile and 10-(Ferrocenylmethyl)phenanthrene-9-carbonitrile Acta Crystallographica Section C 53(6) (1997) 720-723

176,759

2020-10-21

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2,006,194

12.328

0.003

19.923

0.005

7.71

0.002

90

null

96.63

0.02

90

null

1,881

0.8

220

2

220

2

null

4

P 1 21/c 1

-P 2ybc

14

ferrocenylphenanthrenecarbonitrile

- C26 H19 Fe N -

- C104 H76 Fe4 N4 -

4

1

BS1011

Zhang, Hongming; Lu, Yingchun; Biehl, Ed

2-(Ferrocenylmethyl)-6-methoxy-3-methylbenzonitrile and 10-(Ferrocenylmethyl)phenanthrene-9-carbonitrile

Acta Crystallographica Section C

1,997

53

6

720

723

10.1107/S0108270196015958

0.71073

MoKα

0.0992

0.0501

null

0.1294

0.1007

null

1.027

1.119

null

has coordinates

Zhang, Hongming; Lu, Yingchun; Biehl, Ed 2-(Ferrocenylmethyl)-6-methoxy-3-methylbenzonitrile and 10-(Ferrocenylmethyl)phenanthrene-9-carbonitrile Acta Crystallographica Section C 53(6) (1997) 720-723

176,759

2020-10-21

18:00:00

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2,006,195

7.39

0.001

12.49

0.002

19.223

0.003

90

null

91.75

0.01

90

null

1,773.5

0.5

295

null

295

null

3

P 1 21/n 1

-P 2yn

14

- C19 H24 O5 -

- C76 H96 O20 -

4

1

BS1017

Kennedy, Alan R.; Kerr, William J.; McKendry, Sharon

4-Cyclohexanespiro{3-[2-methoxy-2-(2,6-dimethoxyphenyl)ethenyl]oxetan-2-one}

Acta Crystallographica Section C

1,997

53

6

746

748

10.1107/S0108270197001418

0.71069

MoKα

0.1305

0.0605

null

0.0617

0.0539

null

1.517

null

has coordinates

Kennedy, Alan R.; Kerr, William J.; McKendry, Sharon 4-Cyclohexanespiro{3-[2-methoxy-2-(2,6-dimethoxyphenyl)ethenyl]oxetan-2-one} Acta Crystallographica Section C 53(6) (1997) 746-748

301,791

2025-08-18

23:15:28

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2,006,196

11.364

0.003

11.372

0.003

11.668

0.004

76.13

0.02

89.66

0.03

65.21

0.02

1,321.3

0.7

293

2

293

2

null

5

P -1

-P 1

2

Dichloro-tetrabiphenylcarboxylate-dirhenium

Dichloro tetrakis(μ~2~-2-biphenylcarboxylato) dirhenium(III) - dichloromethane solvate

- C54 H40 Cl6 O8 Re2 -

1

0.5

BS1024

Cotton, F. Albert; Daniels, Lee M.; Liu, Jian; Ren, Tong

Tetrakis(μ-2-biphenylcarboxylato-O:O')bis[chlororhenium(III)] Bis(dichloromethane) Solvate

Acta Crystallographica Section C

1,997

53

6

714

716

10.1107/S0108270197001480

1.54184

CuKα

0.0338

0.0314

null

0.0842

0.0826

null

1.079

1.091

null

has coordinates

Cotton, F. Albert; Daniels, Lee M.; Liu, Jian; Ren, Tong Tetrakis(μ-2-biphenylcarboxylato-O:O')bis[chlororhenium(III)] Bis(dichloromethane) Solvate Acta Crystallographica Section C 53(6) (1997) 714-716

176,759

2020-10-21

18:00:00

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4,322,078

14.79

0.03

16.254

0.008

22.917

0.018

90

null

90

null

90

null

5,509

12

293

2

293

2

null

synthesis

8

P 21 21 21

P 2ac 2ab

19

- C54 H56 Cl F6 N3 O3 P2 Ru -

- C216 H224 Cl4 F24 N12 O12 P8 Ru4 -

4

1

Victorio Cadierno; M. Pilar Gamasa; José Gimeno; Luis Iglesias; Santiago García-Granda

Stereochemically Controlled Synthesis of Ruthenium(II) Complexes Containing Bis(oxazolin-2'-yl)pyridine Ligands. X-ray Crystal Structures of trans-[RuCl2(PPh3){κ3-N,N,N-(S,S)-iPr-pybox}] and [RuCl(CCCPh2)(PPh3){κ3-N,N,N-(S,S)-iPr-pybox}][PF6] ((S,S)-iPr-pybox= 2,6-Bis[4'-(S)-isopropyloxazolin-2'-yl]pyridine)

Inorganic Chemistry

1,999

38

2874

2879

10.1021/ic9813258

0.71073

MoKα

0.1403

0.0545

null

0.1381

0.1679

null

1.03

null

has coordinates

Victorio Cadierno; M. Pilar Gamasa; José Gimeno; Luis Iglesias; Santiago García-Granda Stereochemically Controlled Synthesis of Ruthenium(II) Complexes Containing Bis(oxazolin-2'-yl)pyridine Ligands. X-ray Crystal Structures of trans-[RuCl2(PPh3){κ3-N,N,N-(S,S)-iPr-pybox}] and [RuCl(CCCPh2)(PPh3){κ3-N,N,N-(S,S)-iPr-pyb...

179,323

2020-10-21

18:00:00

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2,006,197

9.3218

0.0007

9.5837

0.0005

15.5376

0.0008

94.431

0.01

101.179

0.011

99.73

0.01

1,333.44

0.16

293

2

293

2

null

6

P -1

-P 1

2

- C32 H26 Cl Fe N2 O4 -

- C64 H52 Cl2 Fe2 N4 O8 -

2

1

CF1079

Elerman, Yalçın; Kabak, Mehmet; Ülkü, Dinçer

A Five-Coordinated Monomer of Chloro[N,N'-(di-2-hydroxy-1-naphthylidene)-1,2-diaminobenzene]iron(III)

Acta Crystallographica, Section C: Crystal Structure Communications

1,997

53

6

712

714

10.1107/S0108270197000607

0.71073

MoKα

0.072

0.067

null

0.165

0.16

null

1.143

1.15

null

has coordinates

Elerman, Yalçın; Kabak, Mehmet; Ülkü, Dinçer A Five-Coordinated Monomer of Chloro[N,N'-(di-2-hydroxy-1-naphthylidene)-1,2-diaminobenzene]iron(III) Acta Crystallographica, Section C: Crystal Structure Communications 53(6) (1997) 712-714

291,315

2024-04-22

13:30:51

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2,006,198

16.179

0.002

10.992

0.002

16.695

0.002

90

null

106.42

0.01

90

null

2,847.9

0.7

293

2

293

2

null

4

P 1 21/a 1

-P 2yab

14

4,6,10,12-tetraphenyl-1,3-dithia-7,9-dioxacyclododecane

- C32 H32 O2 S2 -

- C128 H128 O8 S8 -

4

1

CF1105

Llorca, Jordi; Molins, Elies; Flores-Vela, Abelardo; Cruz-Sanchez, Samuel; Juaristi, Eusebio

4,6,10,12-Tetraphenyl-7,9-dioxa-1,3-dithiacyclododecane

Acta Crystallographica Section C

1,997

53

6

816

818

10.1107/S0108270197000759

0.71069

MoKα

0.1996

0.0457

null

0.1828

0.1363

null

0.684

0.807

null

has coordinates

Llorca, Jordi; Molins, Elies; Flores-Vela, Abelardo; Cruz-Sanchez, Samuel; Juaristi, Eusebio 4,6,10,12-Tetraphenyl-7,9-dioxa-1,3-dithiacyclododecane Acta Crystallographica Section C 53(6) (1997) 816-818

301,791

2025-08-18

23:15:28

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2,006,199

8.002

0.005

12.286

0.002

17.38

0.004

90

null

91.1

0.02

90

null

1,708.4

1.2

293

null

293

null

6

P 1 21/n 1

-P 2yn

14

9-oxo-2-phenoxy-1,3,8,10-tetraaza-2λ^5^- phosphatricyclo[8.4.0.0^3,8^]tetradecane-2-sulfide

- C15 H21 N4 O2 P S -

- C60 H84 N16 O8 P4 S4 -

4

1

CF1146

Engelhardt, Udo; Rosefid, Mehdi

A Tricyclic Phosphorus(V)–Hydrazine System with Twist Conformation of the Central Heterocycle

Acta Crystallographica Section C

1,997

53

6

773

775

10.1107/S0108270196014898

0.71069

MoKα

0.067

0.048

null

0.03

0.029

null

2.48

2.8

null

has coordinates

Engelhardt, Udo; Rosefid, Mehdi A Tricyclic Phosphorus(V)–Hydrazine System with Twist Conformation of the Central Heterocycle Acta Crystallographica Section C 53(6) (1997) 773-775

301,791

2025-08-18

23:15:28

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2,006,200

11.344

0.001

7.437

0.001

15.542

0.002

90

null

108.39

0.01

90

null

1,244.2

0.3

293

2

293

2

null

5

P 1 21/c 1

-P 2ybc

14

1-(2-Fluorophenyl)-1H,3H-thiazolo[3,4-a]benzimidazole

- C15 H11 F N2 S -

- C60 H44 F4 N8 S4 -

4

1

CF1149

Bruno, Giuseppe; Grasso, Silvana; Monforte, Pietro; Nicoló, Francesco; Scopelliti, Rosario

1-(2-Fluorophenyl)-and 1-(3-Fluorophenyl)-1H,3H-thiazolo[3,4-a]benzimidazole

Acta Crystallographica Section C

1,997

53

6

764

767

10.1107/S0108270197000760

0.71073

MoKα

0.0414

0.0288

null

0.075

0.0721

null

0.933

1.051

null

has coordinates

Bruno, Giuseppe; Grasso, Silvana; Monforte, Pietro; Nicoló, Francesco; Scopelliti, Rosario 1-(2-Fluorophenyl)-and 1-(3-Fluorophenyl)-1H,3H-thiazolo[3,4-a]benzimidazole Acta Crystallographica Section C 53(6) (1997) 764-767

301,791

2025-08-18

23:15:28

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2,006,201

11.249

0.001

7.421

0.001

15.867

0.002

90

null

107.56

0.01

90

null

1,262.8

0.3

293

2

293

2

null

5

P 1 21/c 1

-P 2ybc

14

1-(3-Fluorophenyl)-1H,3H-thiazolo[3,4-a]benzimidazole

- C15 H11 F N2 S -

- C60 H44 F4 N8 S4 -

4

1

CF1149

Bruno, Giuseppe; Grasso, Silvana; Monforte, Pietro; Nicoló, Francesco; Scopelliti, Rosario

1-(2-Fluorophenyl)-and 1-(3-Fluorophenyl)-1H,3H-thiazolo[3,4-a]benzimidazole

Acta Crystallographica Section C

1,997

53

6

764

767

10.1107/S0108270197000760

0.71073

MoKα

0.0455

0.0347

null

0.1011

0.0977

null

1.049

1.171

null

has coordinates

Bruno, Giuseppe; Grasso, Silvana; Monforte, Pietro; Nicoló, Francesco; Scopelliti, Rosario 1-(2-Fluorophenyl)-and 1-(3-Fluorophenyl)-1H,3H-thiazolo[3,4-a]benzimidazole Acta Crystallographica Section C 53(6) (1997) 764-767

301,791

2025-08-18

23:15:28

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2,006,202

9.193

0.0004

9.9973

0.0009

11.1516

0.0008

90

null

90

null

90

null

1,024.89

0.13

293

2

293

2

null

3

A b a 2

A 2 -2ab

41

- Mo8 O14 Sm -

- Mo32 O56 Sm4 -

4

null

DU1168

Tortelier, J.; Gougeon, P.

SmMo~8~O~14~

Acta Crystallographica Section C

1,997

53

6

668

671

10.1107/S0108270196015533

0.71073

MoKα

0.0232

0.0202

null

0.046

0.0453

null

1.285

1.299

null

has coordinates,has Fobs

Tortelier, J.; Gougeon, P. SmMo~8~O~14~ Acta Crystallographica Section C 53(6) (1997) 668-671

176,435

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/62/2006202.cif $ #-------------------------------------------------------------------...

2,006,203

12.5928

0.0007

10.6943

0.001

16.0674

0.0005

90

null

93.168

0.003

90

null

2,160.5

0.2

293

2

293

2

null

5

C 1 2/c 1

-C 2yc

15

5,7-dichlorokynurenic acid hydrate

4-oxo-1,4-dihydro-5,7-dichloroquinoline-2-carboxylic acid hydrate

- C10 H7 Cl2 N O4 -

- C80 H56 Cl16 N8 O32 -

8

1

FG1216

Kubicki, Maciej; Bassyouni, Hanan A.R.; Codding, Penelope W.

5,7-Dichlorokynurenic Acid Hydrate, an Antagonist for the Glycine Binding Site on the NMDA Receptor

Acta Crystallographica Section C

1,997

53

6

739

742

10.1107/S010827019700005X

1.54178

CuKα

0.0483

0.0406

null

0.14

0.1123

null

1.229

1.051

null

has coordinates

Kubicki, Maciej; Bassyouni, Hanan A.R.; Codding, Penelope W. 5,7-Dichlorokynurenic Acid Hydrate, an Antagonist for the Glycine Binding Site on the NMDA Receptor Acta Crystallographica Section C 53(6) (1997) 739-742

301,791

2025-08-18

23:15:28

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4,322,077

12.772

0.006

15.208

0.005

19.601

0.007

90

null

90

null

90

null

3,807

3

293

2

293

2

null

synthesis

7

P 21 21 21

P 2ac 2ab

19

- C36 H39 Cl5 N3 O2 P Ru -

- C144 H156 Cl20 N12 O8 P4 Ru4 -

4

1

Victorio Cadierno; M. Pilar Gamasa; José Gimeno; Luis Iglesias; Santiago García-Granda

Stereochemically Controlled Synthesis of Ruthenium(II) Complexes Containing Bis(oxazolin-2'-yl)pyridine Ligands. X-ray Crystal Structures of trans-[RuCl2(PPh3){κ3-N,N,N-(S,S)-iPr-pybox}] and [RuCl(CCCPh2)(PPh3){κ3-N,N,N-(S,S)-iPr-pybox}][PF6] ((S,S)-iPr-pybox= 2,6-Bis[4'-(S)-isopropyloxazolin-2'-yl]pyridine)

Inorganic Chemistry

1,999

38

2874

2879

10.1021/ic9813258

0.71073

MoKα

0.0805

0.0565

null

0.0944

0.1086

null

1.049

null

has coordinates

Victorio Cadierno; M. Pilar Gamasa; José Gimeno; Luis Iglesias; Santiago García-Granda Stereochemically Controlled Synthesis of Ruthenium(II) Complexes Containing Bis(oxazolin-2'-yl)pyridine Ligands. X-ray Crystal Structures of trans-[RuCl2(PPh3){κ3-N,N,N-(S,S)-iPr-pybox}] and [RuCl(CCCPh2)(PPh3){κ3-N,N,N-(S,S)-iPr-pyb...

179,323

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:20:49 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179323 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/20/4322077.cif $ #-------------------------------------------------------------------...

2,006,204

14.814

0.003

12.372

0.002

14.306

0.002

90

null

91.08

0.01

90

null

2,621.5

0.8

293

2

293

2

null

6

C 1 2/c 1

-C 2yc

15

Bis(2,2'-dipyridylmethanediol-N,N')palladium(II) Chloride Tetrahydrate

- C22 H28 Cl2 N4 O8 Pd -

- C88 H112 Cl8 N16 O32 Pd4 -

4

0.5

FG1220

Sommerer, Shaun O.; Jircitano, Alan J.; Westcott, Barry L.; Abboud, Khalil A.; Bauer, Jeanette A. Krause

Bis(di-2-pyridylmethanediol-N,N')palladium(II) Dichloride Tetrahydrate and Dichloro(di-2-pyridylmethanediol-N,N')gold(III) Chloride

Acta Crystallographica Section C

1,997

53

6

707

710

10.1107/S0108270197000218

0.71073

MoKα

0.0429

0.0364

null

0.1206

0.1144

null

1.054

1.098

null

has coordinates

Sommerer, Shaun O.; Jircitano, Alan J.; Westcott, Barry L.; Abboud, Khalil A.; Bauer, Jeanette A. Krause Bis(di-2-pyridylmethanediol-N,N')palladium(II) Dichloride Tetrahydrate and Dichloro(di-2-pyridylmethanediol-N,N')gold(III) Chloride Acta Crystallographica Section C 53(6) (1997) 707-710

301,791

2025-08-18

23:15:28

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/62/2006204.cif $ #-------------------------------------------------------------------...

2,006,205

9.233

0.002

12.271

0.003

12.627

0.003

90

null

95.58

0.03

90

null

1,423.8

0.6

293

2

293

2

null

6

P 1 21/n 1

-P 2yn

14

Dichloro(2,2'-dipyridylmethanediol-N,N')gold(III) Chloride

- C11 H10 Au Cl3 N2 O2 -

- C44 H40 Au4 Cl12 N8 O8 -

4

1

FG1220

Sommerer, Shaun O.; Jircitano, Alan J.; Westcott, Barry L.; Abboud, Khalil A.; Bauer, Jeanette A. Krause

Bis(di-2-pyridylmethanediol-N,N')palladium(II) Dichloride Tetrahydrate and Dichloro(di-2-pyridylmethanediol-N,N')gold(III) Chloride

Acta Crystallographica Section C

1,997

53

6

707

710

10.1107/S0108270197000218

0.71073

MoKα

0.046

0.0365

null

0.0938

0.0898

null

1.008

1.061

null

has coordinates

Sommerer, Shaun O.; Jircitano, Alan J.; Westcott, Barry L.; Abboud, Khalil A.; Bauer, Jeanette A. Krause Bis(di-2-pyridylmethanediol-N,N')palladium(II) Dichloride Tetrahydrate and Dichloro(di-2-pyridylmethanediol-N,N')gold(III) Chloride Acta Crystallographica Section C 53(6) (1997) 707-710

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/62/2006205.cif $ #-------------------------------------------------------------------...

2,006,206

11.4438

0.0012

9.5077

0.001

21.497

0.003

90

null

98.245

0.01

90

null

2,314.8

0.5

173

2

173

2

null

7

P 1 21/n 1

-P 2yn

14

7,8-Bis(2-pyridiniumthio)-7,8-dicarba-nido-undecaborate trifluoromethanesulfonate

- C13 H20 B9 F3 N2 O3 S3 -

- C52 H80 B36 F12 N8 O12 S12 -

4

1

FG1234

Jones, Peter G.; Crespo, Olga; Gimeno, M. Concepción; Laguna, Antonio

7,8-Bis(pyridinium-2-ylthio)-7,8-dicarba-nido-undecaborate Trifluoromethanesulfonate

Acta Crystallographica Section C

1,997

53

6

767

768

10.1107/S0108270197002497

0.71073

MoKα

0.0664

0.0349

null

0.0807

0.0737

null

0.872

1.001

null

has coordinates

Jones, Peter G.; Crespo, Olga; Gimeno, M. Concepción; Laguna, Antonio 7,8-Bis(pyridinium-2-ylthio)-7,8-dicarba-nido-undecaborate Trifluoromethanesulfonate Acta Crystallographica Section C 53(6) (1997) 767-768

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/62/2006206.cif $ #-------------------------------------------------------------------...

2,006,207

10.646

0.003

11.286

0.003

14.205

0.004

78.2

0.02

80.64

0.02

71.77

0.02

1,577.9

0.8

143

2

143

2

null

3

P -1

-P 1

2

2,13-dithia[3]orthocyclo[3](2,3)-naphthalenophane

- C20 H18 S2 -

- C80 H72 S8 -

4

2

FG1236

Jones, Peter G.; Kuś, Piotr

2,13-Dithia[3]orthocyclo[3](2,3)naphthalenophane

Acta Crystallographica Section C

1,997

53

6

786

787

10.1107/S0108270197000061

0.71073

MoKα

0.0594

0.0397

null

0.1072

0.0916

null

1.053

1.045

null

has coordinates

Jones, Peter G.; Kuś, Piotr 2,13-Dithia[3]orthocyclo[3](2,3)naphthalenophane Acta Crystallographica Section C 53(6) (1997) 786-787

301,791

2025-08-18

23:15:28

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2,006,208

7.7374

0.0013

8.5142

0.0014

9.0238

0.0009

65.777

0.012

69.777

0.011

83.54

0.013

508.41

0.14

288

1

288

1

null

7

P -1

-P 1

2

trans-diisothiocyanato(cyclam)chromium(III) perchlorate

trans-diisothiocyanato(1,4,8,11-tetraazacyclotetradecane)chromium(III) perchlorate

- C12 H24 Cl Cr N6 O4 S2 -

1

0.5

FG1243

Friesen, Duane A.; Quail, J. Wilson; Waltz, William L.; Nashiem, Rodney E.

cis-and trans-Diisothiocyanato(1,4,8,11-tetraazacyclotetradecane)chromium(III) Perchlorate

Acta Crystallographica Section C

1,997

53

6

687

691

10.1107/S0108270197002503

1.5418

CopperKα

0.0395

0.0387

null

0.1037

0.1029

null

1.045

1.047

null

has coordinates

Friesen, Duane A.; Quail, J. Wilson; Waltz, William L.; Nashiem, Rodney E. cis-and trans-Diisothiocyanato(1,4,8,11-tetraazacyclotetradecane)chromium(III) Perchlorate Acta Crystallographica Section C 53(6) (1997) 687-691

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/62/2006208.cif $ #-------------------------------------------------------------------...

4,322,076

9.028

0.0008

17.032

0.002

37.455

0.004

98.453

0.008

93.899

0.007

91.642

0.008

5,679.2

1

23

null

23

null

7

P -1

-P 1

2

- C58.5 H75 B Cl2 O0.5 Rh3 S2 -

- C234 H288 B4 Cl8 O2 Rh12 S8 -

null

Takafumi Iwasa; Hitoshi Shimada; Atsushi Takami; Hiroyuki Matsuzaka; Youichi Ishii; Masanobu Hidai

Preparation of Cationic Dinuclear Hydrido Complexes of Ruthenium, Rhodium, and Iridium with Bridging Thiolato Ligands and Their Reactions with Nitrosobenzene

Inorganic Chemistry

1,999

38

2851

2859

10.1021/ic981274e

0.7107

MoKalpha

null

0.047

null

0.029

null

1.51

null

has coordinates

Takafumi Iwasa; Hitoshi Shimada; Atsushi Takami; Hiroyuki Matsuzaka; Youichi Ishii; Masanobu Hidai Preparation of Cationic Dinuclear Hydrido Complexes of Ruthenium, Rhodium, and Iridium with Bridging Thiolato Ligands and Their Reactions with Nitrosobenzene Inorganic Chemistry 38 (1999) 2851-2859

191,070

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-01-29 17:08:14 +0200 (Sun, 29 Jan 2017) $ #$Revision: 191070 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/20/4322076.cif $ #-------------------------------------------------------------------...

2,006,209

7.6925

0.0014

8.471

0.002

8.9387

0.0008

65.93

0.015

69.87

0.012

83.86

0.02

498.96

0.17

173

2

173

2

null

7

P -1

-P 1

2

trans-diisothiocyanato(cyclam)chromium(III) perchlorate

trans-diisothiocyanato(1,4,8,11-tetraazacyclotetradecane)chromium(III) perchlorate

- C12 H24 Cl Cr N6 O4 S2 -

1

0.5

FG1243

Friesen, Duane A.; Quail, J. Wilson; Waltz, William L.; Nashiem, Rodney E.

cis-and trans-Diisothiocyanato(1,4,8,11-tetraazacyclotetradecane)chromium(III) Perchlorate

Acta Crystallographica Section C

1,997

53

6

687

691

10.1107/S0108270197002503

1.5418

CuKα

0.0306

0.03

null

0.0817

0.0811

null

1.079

null

has coordinates

Friesen, Duane A.; Quail, J. Wilson; Waltz, William L.; Nashiem, Rodney E. cis-and trans-Diisothiocyanato(1,4,8,11-tetraazacyclotetradecane)chromium(III) Perchlorate Acta Crystallographica Section C 53(6) (1997) 687-691

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/62/2006209.cif $ #-------------------------------------------------------------------...

2,006,210

11.0105

0.0011

8.6361

0.0011

21.645

0.002

90

null

90.105

0.008

90

null

2,058.2

0.4

288

1

288

1

null

7

P 1 21/c 1

-P 2ybc

14

cis-diisothiocyanato(cyclam)chromium(III) perchlorate

cis-diisothiocyanato(1,4,8,11-tetraazacyclotetradecane)chromium(III) perchlorate

- C12 H24 Cl Cr N6 O4 S2 -

- C48 H96 Cl4 Cr4 N24 O16 S8 -

4

1

FG1243

Friesen, Duane A.; Quail, J. Wilson; Waltz, William L.; Nashiem, Rodney E.

cis-and trans-Diisothiocyanato(1,4,8,11-tetraazacyclotetradecane)chromium(III) Perchlorate

Acta Crystallographica Section C

1,997

53

6

687

691

10.1107/S0108270197002503

0.71073

MoKα

0.1197

0.0523

null

0.1665

0.1362

null

0.999

1.188

null

has coordinates

Friesen, Duane A.; Quail, J. Wilson; Waltz, William L.; Nashiem, Rodney E. cis-and trans-Diisothiocyanato(1,4,8,11-tetraazacyclotetradecane)chromium(III) Perchlorate Acta Crystallographica Section C 53(6) (1997) 687-691

301,791

2025-08-18

23:15:28

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/62/2006210.cif $ #-------------------------------------------------------------------...

2,006,211

10.975

0.002

8.69

0.002

21.144

0.004

90

null

90.607

0.014

90

null

2,016.4

0.7

123

2

123

2

null

7

P 1 21/c 1

-P 2ybc

14

cis-diisothiocyanato(cyclam)chromium(III) perchlorate

cis-diisothiocyanato(1,4,8,11-tetraazacyclotetradecane)chromium(III) perchlorate

- C12 H24 Cl Cr N6 O4 S2 -

- C48 H96 Cl4 Cr4 N24 O16 S8 -

4

1

FG1243

Friesen, Duane A.; Quail, J. Wilson; Waltz, William L.; Nashiem, Rodney E.

cis-and trans-Diisothiocyanato(1,4,8,11-tetraazacyclotetradecane)chromium(III) Perchlorate

Acta Crystallographica Section C

1,997

53

6

687

691

10.1107/S0108270197002503

0.71073

MoKα

0.0837

0.045

null

0.1482

0.1172

null

1.06

1.125

null

has coordinates

Friesen, Duane A.; Quail, J. Wilson; Waltz, William L.; Nashiem, Rodney E. cis-and trans-Diisothiocyanato(1,4,8,11-tetraazacyclotetradecane)chromium(III) Perchlorate Acta Crystallographica Section C 53(6) (1997) 687-691

301,791

2025-08-18

23:15:28

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/62/2006211.cif $ #-------------------------------------------------------------------...

2,006,212

7.0923

0.0002

23.1347

0.0005

15.1181

0.0003

90

null

94.297

0.001

90

null

2,473.58

0.1

173

2

173

2

null

4

P 1 21 1

P 2yb

4

- C51 H50 N2 O20 -

- C102 H100 N4 O40 -

2

1

FG1246

Abboud, Khalil A.; Toporek, Stan S.; Horenstein, Benjamin A.

2,3-Di-O-benzoyl-1-O-p-nitrophenyl-6-O-pivaloyl-4-O-(3',4',6'-tri-O-acetyl-2'-deoxy-2'-N-phthalimido-β-D-1'-glucopyranosyl)-β-D-glucopyranose

Acta Crystallographica Section C

1,997

53

6

742

744

10.1107/S0108270197000097

0.71073

MoKα

0.0602

0.045

null

0.1201

0.1028

null

1.044

1.053

null

has coordinates

Abboud, Khalil A.; Toporek, Stan S.; Horenstein, Benjamin A. 2,3-Di-O-benzoyl-1-O-p-nitrophenyl-6-O-pivaloyl-4-O-(3',4',6'-tri-O-acetyl-2'-deoxy-2'-N-phthalimido-β-D-1'-glucopyranosyl)-β-D-glucopyranose Acta Crystallographica Section C 53(6)...

301,791

2025-08-18

23:15:28

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/62/2006212.cif $ #-------------------------------------------------------------------...

4,322,075

11.031

0.005

24.316

0.005

19.226

0.007

90

null

90.91

0.04

90

null

5,156

3

23

null

23

null

7

P 1 21/n 1

-P 2yn

14

- C56 H69 B Ir2 N O S2 -

- C224 H276 B4 Ir8 N4 O4 S8 -

null

Takafumi Iwasa; Hitoshi Shimada; Atsushi Takami; Hiroyuki Matsuzaka; Youichi Ishii; Masanobu Hidai

Preparation of Cationic Dinuclear Hydrido Complexes of Ruthenium, Rhodium, and Iridium with Bridging Thiolato Ligands and Their Reactions with Nitrosobenzene

Inorganic Chemistry

1,999

38

2851

2859

10.1021/ic981274e

0.7107

MoKalpha

null

0.038

null

0.026

null

1.83

null

has coordinates

Takafumi Iwasa; Hitoshi Shimada; Atsushi Takami; Hiroyuki Matsuzaka; Youichi Ishii; Masanobu Hidai Preparation of Cationic Dinuclear Hydrido Complexes of Ruthenium, Rhodium, and Iridium with Bridging Thiolato Ligands and Their Reactions with Nitrosobenzene Inorganic Chemistry 38 (1999) 2851-2859

301,838

2025-08-20

22:17:36

#------------------------------------------------------------------------------ #$Date: 2025-08-21 01:01:10 +0300 (Thu, 21 Aug 2025) $ #$Revision: 301838 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/20/4322075.cif $ #-------------------------------------------------------------------...

2,006,213

9.595

0.005

14.008

0.004

9.413

0.005

93.53

0.03

117.14

0.04

85.03

0.03

1,121.3

1

296

null

296

null

5

P -1

-P 1

2

- C19 H22 Cl5 Cu N3 -

- C38 H44 Cl10 Cu2 N6 -

2

1

FG1248

Parvez, Masood; Sabir, Aaliya P.

Clemizole Tetrachlorocuprate(II) and Clemizole Tetrachlorocobaltate(II)

Acta Crystallographica Section C

1,997

53

6

675

677

10.1107/S0108270196015922

0.71069

MoKα

0.0834

0.0572

null

0.0942

0.0747

null

1.89

1.96

null

has coordinates

Parvez, Masood; Sabir, Aaliya P. Clemizole Tetrachlorocuprate(II) and Clemizole Tetrachlorocobaltate(II) Acta Crystallographica Section C 53(6) (1997) 675-677

176,435

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/62/2006213.cif $ #-------------------------------------------------------------------...

2,006,214

7.04

0.001

23.282

0.003

13.73

0.001

90

null

91.11

0.01

90

null

2,250

0.5

200

null

200

null

5

P 1 21/c 1

-P 2ybc

14

- C19 H22 Cl5 Co N3 -

- C76 H88 Cl20 Co4 N12 -

4

1

FG1248

Parvez, Masood; Sabir, Aaliya P.

Clemizole Tetrachlorocuprate(II) and Clemizole Tetrachlorocobaltate(II)

Acta Crystallographica Section C

1,997

53

6

675

677

10.1107/S0108270196015922

0.71069

MoKα

0.1134

0.0566

null

0.1568

0.0809

null

2.31

1.67

null

has coordinates

Parvez, Masood; Sabir, Aaliya P. Clemizole Tetrachlorocuprate(II) and Clemizole Tetrachlorocobaltate(II) Acta Crystallographica Section C 53(6) (1997) 675-677

176,435

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/62/2006214.cif $ #-------------------------------------------------------------------...

2,006,215

9.17

0.003

15.54

0.007

9.339

0.002

90

null

99.14

0.02

90

null

1,313.9

0.8

200

null

200

null

5

P 1 21/n 1

-P 2yn

14

- C8 H18 Cl2 S2 Zn -

- C32 H72 Cl8 S8 Zn4 -

4

1

FG1260

Parvez, Masood; Mesher, Shaun T. E.; Clark, Peter D.

trans-[2,3-Bis(methylthio)hexane-S,S']dichlorozinc(II), trans-[1,2-Bis(methylthio)cyclohexane-S,S']dichlorozinc(II) and cis-[5,6-Bis(methylthio)-1,3-cycloheptadiene-S,S']dichlorozinc(II)

Acta Crystallographica Section C

1,997

53

6

681

685

10.1107/S0108270197002631

0.71069

MoKα

null

0.027

null

0.022

null

1.403

null

has coordinates

Parvez, Masood; Mesher, Shaun T. E.; Clark, Peter D. trans-[2,3-Bis(methylthio)hexane-S,S']dichlorozinc(II), trans-[1,2-Bis(methylthio)cyclohexane-S,S']dichlorozinc(II) and cis-[5,6-Bis(methylthio)-1,3-cycloheptadiene-S,S']dichlorozinc(II) Acta Crystallogra...

176,435

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/62/2006215.cif $ #-------------------------------------------------------------------...

2,006,216

12.325

0.002

13.196

0.002

8.535

0.001

107.69

0.01

92.31

0.01

98.63

0.01

1,302.1

0.3

200

null

200

null

5

P -1

-P 1

2

- C8 H16 Cl2 S2 Zn -

- C32 H64 Cl8 S8 Zn4 -

4

2

FG1260

Parvez, Masood; Mesher, Shaun T. E.; Clark, Peter D.

trans-[2,3-Bis(methylthio)hexane-S,S']dichlorozinc(II), trans-[1,2-Bis(methylthio)cyclohexane-S,S']dichlorozinc(II) and cis-[5,6-Bis(methylthio)-1,3-cycloheptadiene-S,S']dichlorozinc(II)

Acta Crystallographica Section C

1,997

53

6

681

685

10.1107/S0108270197002631

0.71069

MoKα

0.082

0.029

null

0.214

0.06

null

0.999

0.998

null

has coordinates,has disorder

Parvez, Masood; Mesher, Shaun T. E.; Clark, Peter D. trans-[2,3-Bis(methylthio)hexane-S,S']dichlorozinc(II), trans-[1,2-Bis(methylthio)cyclohexane-S,S']dichlorozinc(II) and cis-[5,6-Bis(methylthio)-1,3-cycloheptadiene-S,S']dichlorozinc(II) Acta Crystallogra...

301,791

2025-08-18

23:15:28

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/62/2006216.cif $ #-------------------------------------------------------------------...

2,006,217

7.513

0.006

12.044

0.007

7.47

0.004

95.15

0.02

93.67

0.03

103.66

0.04

651.6

0.7

200

null

200

null

5

P -1

-P 1

2

- C9 H14 Cl2 S2 Zn -

- C18 H28 Cl4 S4 Zn2 -

2

1

FG1260

Parvez, Masood; Mesher, Shaun T. E.; Clark, Peter D.

trans-[2,3-Bis(methylthio)hexane-S,S']dichlorozinc(II), trans-[1,2-Bis(methylthio)cyclohexane-S,S']dichlorozinc(II) and cis-[5,6-Bis(methylthio)-1,3-cycloheptadiene-S,S']dichlorozinc(II)

Acta Crystallographica Section C

1,997

53

6

681

685

10.1107/S0108270197002631

0.71069

MoKα

0.079

0.038

null

0.109

0.09

null

1.047

1.085

null

has coordinates

Parvez, Masood; Mesher, Shaun T. E.; Clark, Peter D. trans-[2,3-Bis(methylthio)hexane-S,S']dichlorozinc(II), trans-[1,2-Bis(methylthio)cyclohexane-S,S']dichlorozinc(II) and cis-[5,6-Bis(methylthio)-1,3-cycloheptadiene-S,S']dichlorozinc(II) Acta Crystallogra...

176,435

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/62/2006217.cif $ #-------------------------------------------------------------------...

4,322,074

11.045

0.003

24.286

0.003

19.249

0.003

90

null

90.94

0.02

90

null

5,162.6

1.7

23

null

23

null

7

P 1 21/n 1

-P 2yn

14

- C56 H69 B N O Rh2 S2 -

- C224 H276 B4 N4 O4 Rh8 S8 -

null

Takafumi Iwasa; Hitoshi Shimada; Atsushi Takami; Hiroyuki Matsuzaka; Youichi Ishii; Masanobu Hidai

Preparation of Cationic Dinuclear Hydrido Complexes of Ruthenium, Rhodium, and Iridium with Bridging Thiolato Ligands and Their Reactions with Nitrosobenzene

Inorganic Chemistry

1,999

38

2851

2859

10.1021/ic981274e

0.7107

MoKalpha

null

0.047

null

0.033

null

1.6

null

has coordinates

Takafumi Iwasa; Hitoshi Shimada; Atsushi Takami; Hiroyuki Matsuzaka; Youichi Ishii; Masanobu Hidai Preparation of Cationic Dinuclear Hydrido Complexes of Ruthenium, Rhodium, and Iridium with Bridging Thiolato Ligands and Their Reactions with Nitrosobenzene Inorganic Chemistry 38 (1999) 2851-2859

301,838

2025-08-20

22:17:36

#------------------------------------------------------------------------------ #$Date: 2025-08-21 01:01:10 +0300 (Thu, 21 Aug 2025) $ #$Revision: 301838 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/20/4322074.cif $ #-------------------------------------------------------------------...

2,006,218

14.355

0.002

7.836

0.002

20.353

0.002

90

null

106.74

0.01

90

null

2,192.4

0.7

296

2

296

2

null

5

P 1 21/a 1

-P 2yab

14

- C16 H22 Cl5 Cu N3 -

- C64 H88 Cl20 Cu4 N12 -

4

1

FG1261

Parvez, Masood; Sabir, Aaliya P.

Chloropyramine Tetrachlorocuprate(II)

Acta Crystallographica Section C

1,997

53

6

678

679

10.1107/S0108270197002060

0.71069

MoKα

0.255

0.041

null

0.212

0.099

null

0.933

0.907

null

has coordinates

Parvez, Masood; Sabir, Aaliya P. Chloropyramine Tetrachlorocuprate(II) Acta Crystallographica Section C 53(6) (1997) 678-679

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/62/2006218.cif $ #-------------------------------------------------------------------...

2,006,219

10.106

0.004

11.8

0.005

18.301

0.004

90

null

94.42

0.02

90

null

2,175.9

1.3

200

2

200

2

null

5

P 1 21/n 1

-P 2yn

14

- C19 H24 Cl4 Cu N2 -

- C76 H96 Cl16 Cu4 N8 -

4

1

FG1262

Parvez, Masood; Sabir, Aaliya P.

Triprolidine Tetrachlorocuprate(II)

Acta Crystallographica Section C

1,997

53

6

679

681

10.1107/S0108270197002072

0.71069

MoKα

0.185

0.041

null

0.193

0.092

null

1.015

1.087

null

has coordinates

Parvez, Masood; Sabir, Aaliya P. Triprolidine Tetrachlorocuprate(II) Acta Crystallographica Section C 53(6) (1997) 679-681

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/62/2006219.cif $ #-------------------------------------------------------------------...

2,006,220

5.7618

0.0006

14.4939

0.0018

14.5031

0.0018

90

null

90

null

90

null

1,211.2

0.2

173

2

173

2

null

4

P b c a

-P 2ac 2ab

61

Thieno[2,3-c]pyridine

- C7 H5 N S -

- C56 H40 N8 S8 -

8

1

FG1264

Nerenz, Heiko; Grahn, Walter; Jones, Peter G.

Thieno[2,3-c]pyridine, the First Structure of a Thienopyridine

Acta Crystallographica Section C

1,997

53

6

787

789

10.1107/S0108270197002084

0.71073

MoKα

0.0329

0.0263

null

0.0776

0.0756

null

1.06

1.139

null

has coordinates

Nerenz, Heiko; Grahn, Walter; Jones, Peter G. Thieno[2,3-c]pyridine, the First Structure of a Thienopyridine Acta Crystallographica Section C 53(6) (1997) 787-789

301,791

2025-08-18

23:15:28

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/62/2006220.cif $ #-------------------------------------------------------------------...

2,006,221

8.939

0.002

9.36

0.002

11.438

0.002

90

null

90

null

90

null

957

0.3

143

2

143

2

null

6

P 21 21 21

P 2ac 2ab

19

Oxalyl chloride dimesylamide

- C4 H6 Cl N O6 S2 -

- C16 H24 Cl4 N4 O24 S8 -

4

1

FG1267

Dalluhn, Jörg; Henschel, Dagmar; Blaschette, Armand; Jones, Peter G.

Polysulfonylamines. LXXXII. Oxalyl Chloride Dimesylamide

Acta Crystallographica Section C

1,997

53

6

781

783

10.1107/S0108270197002096

0.71073

MoKα

0.0208

0.0201

null

0.0575

0.0526

null

1.073

1.075

null

has coordinates

Dalluhn, Jörg; Henschel, Dagmar; Blaschette, Armand; Jones, Peter G. Polysulfonylamines. LXXXII. Oxalyl Chloride Dimesylamide Acta Crystallographica Section C 53(6) (1997) 781-783

301,791

2025-08-18

23:15:28

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/62/2006221.cif $ #-------------------------------------------------------------------...

2,006,222

9.1599

0.0013

9.1599

0.0013

5.445

0.003

90

null

90

null

120

null

395.6

0.2

143

2

143

2

null

3

P 63/m

-P 6c

176

2,4,6-Tris(diazo)-cyclohexane-1,3,5-trione

- C6 N6 O3 -

- C12 N12 O6 -

2

0.166667

FG1274

Jones, Peter G.; Ahrens, Birte; Höpfner, Thomas; Hopf, Henning

2,4,6-Tris(diazo)cyclohexane-1,3,5-trione

Acta Crystallographica Section C

1,997

53

6

783

786

10.1107/S0108270197002114

0.71073

MoKα

0.0306

0.0291

null

0.0933

0.0885

null

1.184

1.196

null

has coordinates

Jones, Peter G.; Ahrens, Birte; Höpfner, Thomas; Hopf, Henning 2,4,6-Tris(diazo)cyclohexane-1,3,5-trione Acta Crystallographica Section C 53(6) (1997) 783-786

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/62/2006222.cif $ #-------------------------------------------------------------------...

2,006,223

5.0997

0.0009

9.174

0.001

28.375

0.005

90

null

90

null

90

null

1,327.5

0.4

295

2

295

2

null

4

P 21 21 21

P 2ac 2ab

19

2,5-diaziridinyl-3-phenylquinone

- C16 H14 N2 O2 -

- C64 H56 N8 O8 -

4

1

HA1183

Hargreaves, Rob H. J.; Mayalarp, Stephen P.; Butler, John; Lee, Moses; Pennington, William T.

2,5-Diaziridinyl-3-phenyl-p-benzoquinone

Acta Crystallographica Section C

1,997

53

6

749

751

10.1107/S0108270197001224

1.54178

CuKα

0.0759

0.0451

null

0.1226

0.1094

null

0.861

1.029

null

has coordinates

Hargreaves, Rob H. J.; Mayalarp, Stephen P.; Butler, John; Lee, Moses; Pennington, William T. 2,5-Diaziridinyl-3-phenyl-p-benzoquinone Acta Crystallographica Section C 53(6) (1997) 749-751

301,791

2025-08-18

23:15:28

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/62/2006223.cif $ #-------------------------------------------------------------------...

4,322,073

14.802

0.003

12.929

0.004

19.735

0.003

90

null

95.48

0.01

90

null

3,759.5

1.5

23

null

23

null

7

P 1 21/c 1

-P 2ybc

14

- C33 H49 F3 N O4 Ru2 S3 -

- C132 H196 F12 N4 O16 Ru8 S12 -

null

Takafumi Iwasa; Hitoshi Shimada; Atsushi Takami; Hiroyuki Matsuzaka; Youichi Ishii; Masanobu Hidai

Preparation of Cationic Dinuclear Hydrido Complexes of Ruthenium, Rhodium, and Iridium with Bridging Thiolato Ligands and Their Reactions with Nitrosobenzene

Inorganic Chemistry

1,999

38

2851

2859

10.1021/ic981274e

0.7107

MoKalpha

null

0.042

null

0.03

null

1.53

null

has coordinates

Takafumi Iwasa; Hitoshi Shimada; Atsushi Takami; Hiroyuki Matsuzaka; Youichi Ishii; Masanobu Hidai Preparation of Cationic Dinuclear Hydrido Complexes of Ruthenium, Rhodium, and Iridium with Bridging Thiolato Ligands and Their Reactions with Nitrosobenzene Inorganic Chemistry 38 (1999) 2851-2859

191,072

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-01-29 19:58:41 +0200 (Sun, 29 Jan 2017) $ #$Revision: 191072 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/20/4322073.cif $ #-------------------------------------------------------------------...

2,006,224

6.212

0.001

10.162

0.005

27.589

0.006

90

null

90

null

90

null

1,741.6

1

293

2

293

2

null

3

P 21 21 21

P 2ac 2ab

19

- C19 H30 O5 -

- C76 H120 O20 -

4

1

HA1184

Damas, Ana M.; Kijjoa, Anake; Pinto, Madalena

Two Dolabrane-type Diterpenoids

Acta Crystallographica Section C

1,997

53

6

755

757

10.1107/S0108270196015752

0.71069

MoKa

0.0422

0.0366

null

0.1156

0.0996

null

1.047

1.053

null

has coordinates

Damas, Ana M.; Kijjoa, Anake; Pinto, Madalena Two Dolabrane-type Diterpenoids Acta Crystallographica Section C 53(6) (1997) 755-757

301,791

2025-08-18

23:15:28

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/62/2006224.cif $ #-------------------------------------------------------------------...

2,006,225

6.257

0.001

15.137

0.003

9.819

0.002

90

null

96.56

0.02

90

null

923.9

0.3

293

2

293

2

null

4

P 1 21 1

P 2yb

4

- C19 H31 Cl O4 -

- C38 H62 Cl2 O8 -

2

1

HA1184

Damas, Ana M.; Kijjoa, Anake; Pinto, Madalena

Two Dolabrane-type Diterpenoids

Acta Crystallographica Section C

1,997

53

6

755

757

10.1107/S0108270196015752

0.71069

MoKa

0.0336

0.0316

null

0.0801

0.0775

null

1.057

1.048

null

has coordinates

Damas, Ana M.; Kijjoa, Anake; Pinto, Madalena Two Dolabrane-type Diterpenoids Acta Crystallographica Section C 53(6) (1997) 755-757

301,791

2025-08-18

23:15:28

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/62/2006225.cif $ #-------------------------------------------------------------------...

2,006,226

8.96

0.004

20.536

0.011

8.146

0.004

90

null

102.97

0.04

90

null

1,460.6

1.3

291

2

291

2

null

4

P 1 21/c 1

-P 2ybc

14

guanidinium hydrogen squarate

- C5 H7 N3 O4 -

- C40 H56 N24 O32 -

8

2

JZ1154

Tsonko Kolev; Hans Preut; Paul Bleckmann; Valentina Radomirska

Guanidinium Hydrogen Squarate

Acta Crystallographica Section C

1,997

53

6

805

807

10.1107/S0108270197001182

0.71073

MoKα

0.0848

0.0562

null

0.1983

0.1528

null

0.988

1.171

null

has coordinates

Tsonko Kolev; Hans Preut; Paul Bleckmann; Valentina Radomirska Guanidinium Hydrogen Squarate Acta Crystallographica Section C 53(6) (1997) 805-807

201,955

2020-10-21

18:00:00

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2,006,227

8.9054

0.0013

8.9054

0.0013

37.978

0.008

90

null

90

null

90

null

3,011.9

0.9

293

2

null

4

P 41 21 2

P 4abw 2nw

92

- C30 H50 Cl2 Pd2 -

- C120 H200 Cl8 Pd8 -

4

0.5

Larbi El Firdoussi; Smaïl Allaoud; Abdellah Karim; Alejandro F. Barrero; Miguel Quirós; Yves Castanet; André Mortreux

Bis(π-allyl-6,7-dihydrohimachalene)-α,α-dichlorodipalladium

Acta Crystallographica Section C

1,997

53

710

712

null

0.0738

null

0.153

null

has coordinates

Larbi El Firdoussi; Smaïl Allaoud; Abdellah Karim; Alejandro F. Barrero; Miguel Quirós; Yves Castanet; André Mortreux Bis(π-allyl-6,7-dihydrohimachalene)-α,α-dichlorodipalladium Acta Crystallographica Section C 53 (1997) 710-712

130,149

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/62/2006227.cif $ #-------------------------------------------------------------------...

2,006,228

5.6211

0.0009

7.356

0.001

18.144

0.003

98.956

0.009

97.03

0.01

99.326

0.009

722.9

0.2

295.2

null

295.2

null

6

P -1

-P 1

2

- C15 H9 Br N2 O3 S -

- C30 H18 Br2 N4 O6 S2 -

2

1

JZ1178

Ruiwu, Tao; Barnes, Charles L.; Cox, Osvaldo; Hernàndez, Wigberto J.; Cardona, Damaris; Huang, Songping D.

1-(1,3-Benzothiazol-2-yl)-2-(2-bromo-5-nitrophenyl)ethanone

Acta Crystallographica Section C

1,997

53

6

801

803

10.1107/S0108270197000656

0.7107

MoKα

null

0.0317

null

0.0375

null

1.766

null

has coordinates

Ruiwu, Tao; Barnes, Charles L.; Cox, Osvaldo; Hernàndez, Wigberto J.; Cardona, Damaris; Huang, Songping D. 1-(1,3-Benzothiazol-2-yl)-2-(2-bromo-5-nitrophenyl)ethanone Acta Crystallographica Section C 53(6) (1997) 801-803

301,791

2025-08-18

23:15:28

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2,006,229

28.663

0.0007

28.663

0.0007

7.25719

0.0001

90

null

90

null

90

null

5,962.3

0.2

293

2

293

2

null

5

I 41/a :2

-I 4ad

88

(4-Ethylpyridine)(N-salicylideneglycinato)copper(II) Tetramer

- C64 H64 Cu4 N8 O12 -

- C256 H256 Cu16 N32 O48 -

4

0.25

JZ1191

Warda, Salam A.

A (4-Ethylpyridine)(N-salicylideneglycinato)copper(II) Tetramer

Acta Crystallographica Section C

1,997

53

6

697

699

10.1107/S0108270197002692

1.54178

CuKα

0.0475

0.0435

null

0.1254

0.1225

null

1.124

1.153

null

has coordinates

Warda, Salam A. A (4-Ethylpyridine)(N-salicylideneglycinato)copper(II) Tetramer Acta Crystallographica Section C 53(6) (1997) 697-699

301,791

2025-08-18

23:15:28

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4,322,072

9.334

0.003

21.871

0.001

15.644

0.003

90

null

104.28

0.02

90

null

3,095

1.2

20

null

20

null

6

P 1 21/n 1

-P 2yn

14

- C26 H45 B F4 Ir2 S2 -

- C104 H180 B4 F16 Ir8 S8 -

null

Takafumi Iwasa; Hitoshi Shimada; Atsushi Takami; Hiroyuki Matsuzaka; Youichi Ishii; Masanobu Hidai

Preparation of Cationic Dinuclear Hydrido Complexes of Ruthenium, Rhodium, and Iridium with Bridging Thiolato Ligands and Their Reactions with Nitrosobenzene

Inorganic Chemistry

1,999

38

2851

2859

10.1021/ic981274e

0.7107

MoKalpha

null

0.037

null

0.026

null

1.31

null

has coordinates

Takafumi Iwasa; Hitoshi Shimada; Atsushi Takami; Hiroyuki Matsuzaka; Youichi Ishii; Masanobu Hidai Preparation of Cationic Dinuclear Hydrido Complexes of Ruthenium, Rhodium, and Iridium with Bridging Thiolato Ligands and Their Reactions with Nitrosobenzene Inorganic Chemistry 38 (1999) 2851-2859

301,838

2025-08-20

22:17:36

#------------------------------------------------------------------------------ #$Date: 2025-08-21 01:01:10 +0300 (Thu, 21 Aug 2025) $ #$Revision: 301838 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/20/4322072.cif $ #-------------------------------------------------------------------...

2,006,230

13.8156

0.0012

6.947

0.002

12.4225

0.0014

90

null

111.66

0.01

90

null

1,108.1

0.4

293

2

293

2

null

6

P 1 21/c 1

-P 2ybc

14

Potassium 3-Dithiocarboxy-3-Aza-5-Amino Pentanoate Dihydrate

- C5 H13 K N2 O4 S2 -

- C5 H12 K N2 O4 S2 -

- C20 H48 K4 N8 O16 S8 -

4

1

KA1221

Bogdan Prelesnik; Katarina Andjelković; Zorica Marković; Tibor Sabo; Srećko Trifunović

Potassium 3-Dithiocarboxy-3-aza-5-aminopentanoate Dihydrate

Acta Crystallographica Section C

1,997

53

6

719

720

10.1107/S0108270197001650

0.71073

MoKα

null

0.039

null

0.041

null

0.957

null

has coordinates

Bogdan Prelesnik; Katarina Andjelković; Zorica Marković; Tibor Sabo; Srećko Trifunović Potassium 3-Dithiocarboxy-3-aza-5-aminopentanoate Dihydrate Acta Crystallographica Section C 53(6) (1997) 719-720

201,955

2020-10-21

18:00:00

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2,006,231

9.2523

0.0007

30.116

0.001

10.2195

0.0007

90

null

95.203

0.003

90

null

2,835.9

0.3

298

2

298

2

null

5

P 1 21/c 1

-P 2ybc

14

Dicyclohexylammonium (N,N-Dicyclohexylthiocarbamoylthio)acetate

- C27 H48 N2 O2 S2 -

- C108 H192 N8 O8 S8 -

4

1

KH1126

Ng, Seik Weng

Dicyclohexylammonium (N,N-Dicyclohexylthiocarbamoylthio)acetate

Acta Crystallographica Section C

1,997

53

6

779

781

10.1107/S0108270197000644

0.71073

MoKα

0.0646

0.0453

null

0.1249

0.115

null

1.04

1.135

null

has coordinates,has disorder

Ng, Seik Weng Dicyclohexylammonium (N,N-Dicyclohexylthiocarbamoylthio)acetate Acta Crystallographica Section C 53(6) (1997) 779-781

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/62/2006231.cif $ #-------------------------------------------------------------------...

2,006,232

6.797

0.002

13.558

0.006

7.217

0.002

90

null

96.58

0.03

90

null

660.7

0.4

293

2

293

2

null

5

P 1 21/c 1

-P 2ybc

14

Bis(cyanamidonitrate)bis(imidazole) copper(II) complex, C~8~H~8~N~10~O~4~Cu~1~

- C8 H8 Cu N10 O4 -

- C16 H16 Cu2 N20 O8 -

2

0.5

MU1302

Kožíšek, Jozef; Jesús García Díaz; Mária Hvastijová; Lothar Jäger

trans-Bis(cyanamidonitrato-N:O)bis(imidazole-N^3^)copper(II), [Cu(CN~3~O~2~)~2~(C~3~H~4~N~2~)~2~]

Acta Crystallographica Section C

1,997

53

6

703

705

10.1107/S010827019700111X

0.71073

MoKα

0.0706

0.0359

null

0.102

0.0963

null

0.975

1.174

null

has coordinates

Kožíšek, Jozef; Jesús García Díaz; Mária Hvastijová; Lothar Jäger trans-Bis(cyanamidonitrato-N:O)bis(imidazole-N^3^)copper(II), [Cu(CN~3~O~2~)~2~(C~3~H~4~N~2~)~2~] Acta Crystallographica Section C 53(6) (1997) 703-705

301,791

2025-08-18

23:15:28

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2,006,233

7.4538

0.0006

12.563

0.002

12.983

0.001

90

null

90

null

90

null

1,215.8

0.2

297

2

293

2

null

5

P 21 21 21

P 2ac 2ab

19

- C13 H10 I N O -

- C52 H40 I4 N4 O4 -

4

1

MU1303

Elmali, Ayhan; Elerman, Yalc̨in

2-[(2-Iodophenyl)iminomethyl]phenol

Acta Crystallographica Section C

1,997

53

6

791

793

10.1107/S0108270197000619

0.71069

MoKα

0.0235

0.0217

null

0.0589

0.0577

null

1.093

null

has coordinates

Elmali, Ayhan; Elerman, Yalc̨in 2-[(2-Iodophenyl)iminomethyl]phenol Acta Crystallographica Section C 53(6) (1997) 791-793

301,791

2025-08-18

23:15:28

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/62/2006233.cif $ #-------------------------------------------------------------------...

2,006,234

9.722

0.003

7.475

0.002

20.255

0.005

90

null

99.75

0.01

90

null

1,450.7

0.7

293

2

293

2

null

3

P 1 21/c 1

-P 2ybc

14

onysilin

2,3-dihydro-5-hydroxy-6,7-dimethoxy-2-phenyl-4H-1-benzopyran-4-one

- C17 H16 O5 -

- C68 H64 O20 -

4

1

MU1306

Chantrapromma, Kan; Seechamnanturakit, Vatcharee; Ponglimanont, Chanita; Pakawatchai, Chaveng; Fun, Hoong-Kun; Sivakumar, Kandasamy

2,3-Dihydro-5-hydroxy-6,7-dimethoxy-2-phenyl-4H-1-benzopyran-4-one (Onysilin)

Acta Crystallographica Section C

1,997

53

6

734

736

10.1107/S0108270197001121

0.71073

MoKα

0.0698

0.0517

null

0.1655

0.1516

null

1.086

1.202

null

has coordinates

Chantrapromma, Kan; Seechamnanturakit, Vatcharee; Ponglimanont, Chanita; Pakawatchai, Chaveng; Fun, Hoong-Kun; Sivakumar, Kandasamy 2,3-Dihydro-5-hydroxy-6,7-dimethoxy-2-phenyl-4H-1-benzopyran-4-one (Onysilin) Acta Crystallographica Section C 53(6) (1997) 734-736

301,791

2025-08-18

23:15:28

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/62/2006234.cif $ #-------------------------------------------------------------------...

2,006,235

10.75

0.002

26.735

0.006

10.533

0.001

90

null

90

null

90

null

3,027.2

0.9

293

null

20

null

3

P 21 21 21

P 2ac 2ab

19

- C30 H46 O11 -

- C31 H50 O11 -

- C124 H200 O44 -

4

1

NA1249

Chen, Hao; Tan, Ren-Xiang; Liu, Zhi-Li; Zhao, Cong-Yuan; Sun, Jie

A Clerodane Diterpene with Antibacterial Activity from Ajuga lupulina

Acta Crystallographica Section C

1,997

53

6

814

816

10.1107/S0108270196013637

0.7107

MoKα

0.0679

0.0465

null

0.137

0.0614

null

2.38

null

has coordinates

Chen, Hao; Tan, Ren-Xiang; Liu, Zhi-Li; Zhao, Cong-Yuan; Sun, Jie A Clerodane Diterpene with Antibacterial Activity from Ajuga lupulina Acta Crystallographica Section C 53(6) (1997) 814-816

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/62/2006235.cif $ #-------------------------------------------------------------------...

4,322,071

16.279

0.002

15.332

0.002

19.936

0.002

90

null

104.188

0.009

90

null

4,824

1

23

null

23

null

6

P 1 21/n 1

-P 2yn

14

- C50.5 H66 B Cl Rh2 S2 -

- C204 H260 B4 Cl4 Rh8 S8 -

null

Takafumi Iwasa; Hitoshi Shimada; Atsushi Takami; Hiroyuki Matsuzaka; Youichi Ishii; Masanobu Hidai

Preparation of Cationic Dinuclear Hydrido Complexes of Ruthenium, Rhodium, and Iridium with Bridging Thiolato Ligands and Their Reactions with Nitrosobenzene

Inorganic Chemistry

1,999

38

2851

2859

10.1021/ic981274e

0.7107

MoKalpha

null

0.04

null

0.026

null

1.92

null

has coordinates

Takafumi Iwasa; Hitoshi Shimada; Atsushi Takami; Hiroyuki Matsuzaka; Youichi Ishii; Masanobu Hidai Preparation of Cationic Dinuclear Hydrido Complexes of Ruthenium, Rhodium, and Iridium with Bridging Thiolato Ligands and Their Reactions with Nitrosobenzene Inorganic Chemistry 38 (1999) 2851-2859

191,072

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-01-29 19:58:41 +0200 (Sun, 29 Jan 2017) $ #$Revision: 191072 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/20/4322071.cif $ #-------------------------------------------------------------------...

2,006,236

10.838

0.001

9.347

0.001

13.456

0.001

90

null

92.3

0.01

90

null

1,362

0.2

293

2

293

2

null

4

P 1 21 1

P 2yb

4

(3S,4R,5R)-5,6-diacetoxy-4-(t-butyldiphenylsilyloxy)-3-hydroxy -4-methylhex-1-en

- C27 H36 O6 Si -

- C54 H72 O12 Si2 -

2

1

NA1274

Lewinski, Krzysztof

(2R,3R,4S)-3-(tert-Butyldiphenylsiloxy)-4-hydroxy-3-methylhex-5-ene-1,2-diyl Diacetate

Acta Crystallographica Section C

1,997

53

6

753

755

10.1107/S0108270197000498

0.71069

MoKα

0.0345

0.0317

null

0.0869

0.0856

null

1.021

1.037

null

has coordinates

Lewinski, Krzysztof (2R,3R,4S)-3-(tert-Butyldiphenylsiloxy)-4-hydroxy-3-methylhex-5-ene-1,2-diyl Diacetate Acta Crystallographica Section C 53(6) (1997) 753-755

301,791

2025-08-18

23:15:28

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/62/2006236.cif $ #-------------------------------------------------------------------...

2,006,237

11.3664

0.0002

8.8648

0.0002

5.72

0.0001

90

null

90

null

90

null

576.352

0.019

298

null

298

null

3

P n m a

-P 2ac 2n

62

catena-Cyclopentadienylcesium

- C5 H5 Cs -

- C20 H20 Cs4 -

4

0.5

NA1280

Robert E. Dinnebier; Falk Olbrich; Götz M. Bendele

Cyclopentadienylcaesium by High-Resolution X-ray Powder Diffraction

Acta Crystallographica Section C

1,997

53

6

699

701

10.1107/S0108270197001984

0.69006

Synchrotron

0.0545

null

0.0746

null

1.406

null

has coordinates

Robert E. Dinnebier; Falk Olbrich; Götz M. Bendele Cyclopentadienylcaesium by High-Resolution X-ray Powder Diffraction Acta Crystallographica Section C 53(6) (1997) 699-701

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/62/2006237.cif $ #-------------------------------------------------------------------...

2,006,238

25.31

0.01

9.242

0.002

23.006

0.002

90

0.01

117.58

0.02

90

0.02

4,770

2

293

2

293

2

null

6

C 1 2/c 1

-C 2yc

15

bis(propionato)[tetra(p-chlorophenyl)porphryinatotin(IV) Dichloromethane solvate

- C51 H36 Cl6 N4 O4 Sn -

- C51 H34 Cl6 N4 O4 Sn -

- C204 H136 Cl24 N16 O16 Sn4 -

4

0.5

NA1286

Belcher, Warwick J.; Brothers, Penelope J.; Rickard, Clifton E. F.

Bis(propionato-O)[5,10,15,20-tetra(p-chlorophenyl)porphyrinato-κ^4^N]tin(IV) Dichloromethane Solvate

Acta Crystallographica Section C

1,997

53

6

725

726

10.1107/S0108270197002333

0.71069

MoKα

0.1011

0.0482

null

0.1375

0.1127

null

1.063

1.104

null

has coordinates

Belcher, Warwick J.; Brothers, Penelope J.; Rickard, Clifton E. F. Bis(propionato-O)[5,10,15,20-tetra(p-chlorophenyl)porphyrinato-κ^4^N]tin(IV) Dichloromethane Solvate Acta Crystallographica Section C 53(6) (1997) 725-726

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/62/2006238.cif $ #-------------------------------------------------------------------...

2,006,239

8.284

0.001

8.284

0.001

12.092

0.002

90

null

90

null

90

null

829.8

0.2

297

null

297

null

3

I 4/m m m

-I 4 2

139

- Au2 Cs2 I6 -

- Au4 Cs4 I12 -

2

0.0625

OA1010

Matsushita, Nobuyuki; Kitagawa, Hiroshi; Kojima, Norimichi

A Three-Dimensional Iodo-Bridged Mixed-Valence Gold(I, III) Compound, Cs~2~Au^I^Au^III^I~6~

Acta Crystallographica Section C

1,997

53

6

663

666

10.1107/S0108270197000279

0.71069

MoKα

null

0.0698

null

0.0851

null

2.66

null

has coordinates

Matsushita, Nobuyuki; Kitagawa, Hiroshi; Kojima, Norimichi A Three-Dimensional Iodo-Bridged Mixed-Valence Gold(I, III) Compound, Cs~2~Au^I^Au^III^I~6~ Acta Crystallographica Section C 53(6) (1997) 663-666

209,447

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2018-08-07 17:33:59 +0300 (Tue, 07 Aug 2018) $ #$Revision: 209447 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/62/2006239.cif $ #-------------------------------------------------------------------...

2,006,240

15.866

0.002

17.32

0.002

10.3158

0.0009

90

null

90

null

90

null

2,834.8

0.5

296.2

null

296.2

null

3

P 21 21 21

P 2ac 2ab

19

- C31 H46 O7 -

- C124 H184 O28 -

4

1

OA1013

Limmatvapirat, Sontaya; Yamaguchi, Kentaro; Yonemochi, Etsuo; Oguchi, Toshio; Yamamoto, Keiji

A 1:1 Deoxycholic Acid–Salicylic Acid Complex

Acta Crystallographica Section C

1,997

53

6

803

805

10.1107/S0108270197000899

1.5418

CuKα

null

0.0413

null

0.0444

null

1.867

null

has coordinates

Limmatvapirat, Sontaya; Yamaguchi, Kentaro; Yonemochi, Etsuo; Oguchi, Toshio; Yamamoto, Keiji A 1:1 Deoxycholic Acid–Salicylic Acid Complex Acta Crystallographica Section C 53(6) (1997) 803-805

301,791

2025-08-18

23:15:28

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/62/2006240.cif $ #-------------------------------------------------------------------...

4,322,070

9.747

0.001

12.578

0.001

15.049

0.002

104.385

0.008

94.942

0.008

90.446

0.008

1,779.7

0.3

20

null

20

null

7

P -1

-P 1

2

- C29 H48 F3 N O3 Ru2 S3 -

- C58 H96 F6 N2 O6 Ru4 S6 -

null

Takafumi Iwasa; Hitoshi Shimada; Atsushi Takami; Hiroyuki Matsuzaka; Youichi Ishii; Masanobu Hidai

Preparation of Cationic Dinuclear Hydrido Complexes of Ruthenium, Rhodium, and Iridium with Bridging Thiolato Ligands and Their Reactions with Nitrosobenzene

Inorganic Chemistry

1,999

38

2851

2859

10.1021/ic981274e

0.7107

MoKalpha

null

0.047

null

0.047

null

2.5

null

has coordinates

Takafumi Iwasa; Hitoshi Shimada; Atsushi Takami; Hiroyuki Matsuzaka; Youichi Ishii; Masanobu Hidai Preparation of Cationic Dinuclear Hydrido Complexes of Ruthenium, Rhodium, and Iridium with Bridging Thiolato Ligands and Their Reactions with Nitrosobenzene Inorganic Chemistry 38 (1999) 2851-2859

301,838

2025-08-20

22:17:36

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2,006,241

8.307

0.002

6.7435

0.0009

10.102

0.002

90

null

118.576

0.006

90

null

496.96

0.17

296

null

296

null

5

P 1 c 1

P -2yc

7

- C6 H12 N2 O6 V -

- C6 H10 N2 O6 V -

- C12 H20 N4 O12 V2 -

2

1

OA1014

Kan Kanamori; Kazuhito Ino; Ken-Ichi Okamoto

Aqua(ethylenediamine-N,N'-diacetato-O,O')oxovanadium(IV)

Acta Crystallographica Section C

1,997

53

6

672

673

10.1107/S0108270197000231

0.7107

MoKα

null

0.0309

null

0.045

null

1.417

null

has coordinates

Kan Kanamori; Kazuhito Ino; Ken-Ichi Okamoto Aqua(ethylenediamine-N,N'-diacetato-O,O')oxovanadium(IV) Acta Crystallographica Section C 53(6) (1997) 672-673

176,435

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/62/2006241.cif $ #-------------------------------------------------------------------...

2,006,242

17.329

0.005

13.631

0.003

6.943

0.002

90

null

101.4

0.01

90

null

1,607.7

0.7

296

null

296

null

6

P 1 21/a 1

-P 2yab

14

- C10 H21 N2 Na O10 V -

- C40 H84 N8 Na4 O40 V4 -

4

1

OA1015

Kan Kanamori; Keisuke Miyazaki; Ken-Ichi Okamoto

Sodium (N-Ethylethylenediamine-N,N',N'-triacetato)oxovanadium(IV) Trihydrate

Acta Crystallographica Section C

1,997

53

6

673

675

10.1107/S0108270197000243

0.7107

MoKα

null

0.0381

null

0.0617

null

1.398

null

has coordinates

Kan Kanamori; Keisuke Miyazaki; Ken-Ichi Okamoto Sodium (N-Ethylethylenediamine-N,N',N'-triacetato)oxovanadium(IV) Trihydrate Acta Crystallographica Section C 53(6) (1997) 673-675

199,684

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-08-09 18:13:17 +0300 (Wed, 09 Aug 2017) $ #$Revision: 199684 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/62/2006242.cif $ #-------------------------------------------------------------------...

2,006,243

13.476

0.002

14.04

0.001

10.3145

0.0009

103.953

0.008

105.2

0.008

67.291

0.008

1,715.7

0.3

296

null

296

null

3

P -1

-P 1

2

2,2-diphenyl-1,3,6,9-tetraoxacycloundecane

- C19 H22 O4 -

- C76 H88 O16 -

4

2

OA1021

Hatsue Tamura; Shinya Ueno; Kazuhide Ogawa; Toshikazu Nagai; Takumi Oshima

Planar Chirality in 2,2-Diphenyl-1,3,6,9-tetraoxacycloundecane

Acta Crystallographica Section C

1,997

53

6

759

761

10.1107/S0108270197000905

1.5418

CuKα

null

0.046

null

0.049

null

1.69

null

has coordinates

Hatsue Tamura; Shinya Ueno; Kazuhide Ogawa; Toshikazu Nagai; Takumi Oshima Planar Chirality in 2,2-Diphenyl-1,3,6,9-tetraoxacycloundecane Acta Crystallographica Section C 53(6) (1997) 759-761

301,791

2025-08-18

23:15:28

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2,006,244

6.286

0.003

12.033

0.005

24.523

0.014

90

null

95.31

0.04

90

null

1,846.9

1.6

298

null

298

null

5

P 1 21/n 1

-P 2yn

14

1-Methylbenzothiazolinospiro-2,3'-(2-methyl-[3H]phenanthr[9,10-b][1,4]oxazine)

- C24 H18 N2 O S -

- C96 H72 N8 O4 S4 -

4

1

PA1249

Xiaodong Sun; Yongchao Liang; Meigong Fan; Edward T. Knobbe; Elizabeth M. Holt

1-Methylbenzothiazolinospiro-2,3'-(2-methyl[3H]phenanthr[9,10-b][1,4]oxazine) and 1-Methylbenzothiazolinospiro-2,3'-(2'-methyl[3H]naphth[2,1-b][1,4]oxazine)

Acta Crystallographica Section C

1,997

53

6

820

823

10.1107/S0108270197000012

0.71073

MoKα

null

0.0545

null

0.057

null

1.3

null

has coordinates

Xiaodong Sun; Yongchao Liang; Meigong Fan; Edward T. Knobbe; Elizabeth M. Holt 1-Methylbenzothiazolinospiro-2,3'-(2-methyl[3H]phenanthr[9,10-b][1,4]oxazine) and 1-Methylbenzothiazolinospiro-2,3'-(2'-methyl[3H]naphth[2,1-b][1,4]oxazine) Acta Crystallographica Section C 53(6) (1997) 820-823

301,791

2025-08-18

23:15:28

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/62/2006244.cif $ #-------------------------------------------------------------------...

4,322,069

14.009

0.001

16.85

0.001

23.528

0.002

90

null

99.43

0.02

90

null

5,478.8

0.8

298.2

null

298.2

null

8

P 1 21/c 1

-P 2ybc

14

- C51 H43 Cl5 N3 O2 P4 Re S4 -

- C204 H172 Cl20 N12 O8 P16 Re4 S16 -

4

1

Wa-Hung Leung; Joyce L. C. Chim; Ian D. Williams; Wing-Tak Wong

Reactions of Nitridorhenium(V) and -Osmium(VI) Complexes with Acylating Agents

Inorganic Chemistry

1,999

38

3000

3005

10.1021/ic981244b

0.7107

MoKalpha

null

0.0318

null

0.037

null

1.583

null

has coordinates

Wa-Hung Leung; Joyce L. C. Chim; Ian D. Williams; Wing-Tak Wong Reactions of Nitridorhenium(V) and -Osmium(VI) Complexes with Acylating Agents Inorganic Chemistry 38 (1999) 3000-3005

176,467

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $ #$Revision: 176467 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/20/4322069.cif $ #-------------------------------------------------------------------...

2,006,245

10.237

0.003

13.364

0.007

12.296

0.007

90

null

102.16

0.03

90

null

1,644.4

1.4

298

null

298

null

5

P 1 21/c 1

-P 2ybc

14

1-methylbenzothiazolinospiro-2,3'-(2'-methyl-[3H]naphth[2,1-b][1,4]oxazine)

- C20 H16 N2 O S -

- C80 H64 N8 O4 S4 -

4

1

PA1249

Xiaodong Sun; Yongchao Liang; Meigong Fan; Edward T. Knobbe; Elizabeth M. Holt

1-Methylbenzothiazolinospiro-2,3'-(2-methyl[3H]phenanthr[9,10-b][1,4]oxazine) and 1-Methylbenzothiazolinospiro-2,3'-(2'-methyl[3H]naphth[2,1-b][1,4]oxazine)

Acta Crystallographica Section C

1,997

53

6

820

823

10.1107/S0108270197000012

0.71073

MoKα

null

0.0462

null

0.0541

null

1.1

null

has coordinates

Xiaodong Sun; Yongchao Liang; Meigong Fan; Edward T. Knobbe; Elizabeth M. Holt 1-Methylbenzothiazolinospiro-2,3'-(2-methyl[3H]phenanthr[9,10-b][1,4]oxazine) and 1-Methylbenzothiazolinospiro-2,3'-(2'-methyl[3H]naphth[2,1-b][1,4]oxazine) Acta Crystallographica Section C 53(6) (1997) 820-823

301,791

2025-08-18

23:15:28

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/62/2006245.cif $ #-------------------------------------------------------------------...

2,006,246

19.133

0.002

10.2247

0.001

20.0835

0.0014

90

null

107.55

0.02

90

null

3,746

0.7

293

2

293

2

null

4

C 1 2/c 1

-C 2yc

15

4,5,6,7,8,9-Hexamethoxy-indeno[1,2,3-ij]isoquinoline

- C21 H21 N O6 -

- C168 H168 N8 O48 -

8

1

QA0003

Scherowsky, Günter; Frackowiak, Esther; Adam, David

4,5,6,7,8,9-Hexamethoxyindeno[1,2,3-ij]isoquinoline

Acta Crystallographica Section C

1,997

53

6

IUC9700005

10.1107/S0108270197007695

0.71073

MoKα

0.1498

0.0691

null

0.2177

0.1663

null

1.191

1.319

null

has coordinates

Scherowsky, Günter; Frackowiak, Esther; Adam, David 4,5,6,7,8,9-Hexamethoxyindeno[1,2,3-ij]isoquinoline Acta Crystallographica Section C 53(6) (1997) IUC9700005

301,791

2025-08-18

23:15:28

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/62/2006246.cif $ #-------------------------------------------------------------------...

2,006,247

9.356

0.002

9.609

0.002

20.529

0.004

92.16

0.03

92.81

0.03

98.73

0.03

1,820.1

0.7

223

2

223

2

null

6

P -1

-P 1

2

bis(triphenylphosphine)palladium bromide

trans-dibromobis(triphenylphosphine)palladium(II)

- C40 H38 Br2 O P2 Pd -

- C80 H76 Br4 O2 P4 Pd2 -

2

1

QA0004

Stark, Joseph L.; Whitmire, Kenton H.

trans-Dibromobis(triphenylphosphine)palladium(II) Tetrahydrofuran Solvate and trans-Dichlorobis(triphenylphosphine)palladium(II) Bis(chloroform) Solvate

Acta Crystallographica Section C

1,997

53

6

IUC9700007

10.1107/S0108270197099502

0.71073

MoKα

0.0592

0.047

null

0.1418

0.1316

null

1.051

1.08

null

has coordinates

Stark, Joseph L.; Whitmire, Kenton H. trans-Dibromobis(triphenylphosphine)palladium(II) Tetrahydrofuran Solvate and trans-Dichlorobis(triphenylphosphine)palladium(II) Bis(chloroform) Solvate Acta Crystallographica Section C 53(6) (1997) IUC9700007

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/62/2006247.cif $ #-------------------------------------------------------------------...

4,322,068

11.475

0.001

17.493

0.002

25.697

0.004

86.12

0.02

84.83

0.02

86.85

0.02

5,119.3

1.1

298.2

null

298.2

null

7

P -1

-P 1

2

- C49 H42 Cl3 N3 Os P4 S4 -

- C196 H168 Cl12 N12 Os4 P16 S16 -

4

2

Wa-Hung Leung; Joyce L. C. Chim; Ian D. Williams; Wing-Tak Wong

Reactions of Nitridorhenium(V) and -Osmium(VI) Complexes with Acylating Agents

Inorganic Chemistry

1,999

38

3000

3005

10.1021/ic981244b

0.7107

MoKalpha

null

0.0459

null

0.0465

null

2.108

null

has coordinates

Wa-Hung Leung; Joyce L. C. Chim; Ian D. Williams; Wing-Tak Wong Reactions of Nitridorhenium(V) and -Osmium(VI) Complexes with Acylating Agents Inorganic Chemistry 38 (1999) 3000-3005

176,467

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $ #$Revision: 176467 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/20/4322068.cif $ #-------------------------------------------------------------------...

2,006,248

7.88

0.002

11.201

0.002

12.043

0.002

89.19

0.03

76.76

0.03

74.65

0.03

996.6

0.4

223

2

223

2

null

5

P -1

-P 1

2

Bis(triphenylphosphine)palladium chloride

trans-dichlorobis-(triphenylphosphine)palladium(II)

- C38 H32 Cl8 P2 Pd -

1

0.5

QA0004

Stark, Joseph L.; Whitmire, Kenton H.

trans-Dibromobis(triphenylphosphine)palladium(II) Tetrahydrofuran Solvate and trans-Dichlorobis(triphenylphosphine)palladium(II) Bis(chloroform) Solvate

Acta Crystallographica Section C

1,997

53

6

IUC9700007

10.1107/S0108270197099502

0.71073

MoKα

0.0579

0.0525

null

0.1399

0.1353

null

1.032

1.047

null

has coordinates

Stark, Joseph L.; Whitmire, Kenton H. trans-Dibromobis(triphenylphosphine)palladium(II) Tetrahydrofuran Solvate and trans-Dichlorobis(triphenylphosphine)palladium(II) Bis(chloroform) Solvate Acta Crystallographica Section C 53(6) (1997) IUC9700007

198,601

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-07-10 18:33:26 +0300 (Mon, 10 Jul 2017) $ #$Revision: 198601 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/62/2006248.cif $ #-------------------------------------------------------------------...

2,006,249

13.602

0.004

14.924

0.005

22.77

0.006

90

null

105.76

0.02

90

null

4,448

2

299

2

299

2

null

3

C 1 2/c 1

-C 2yc

15

1,1-dimethyl-1-tert-butyl-2,2,2-triphenyldisilane

- C24 H30 Si2 -

- C192 H240 Si16 -

8

1

QB0006

Stark, Joseph L.; Whitmire, Kenton H.

[2-(tert-Butyldimethylsilyl)phenyl]diphenyl(2,2,4,4-tetramethylpent-3-yloxy)silane and its Disilane Precursor, 1-tert-Butyl-1,1-dimethyl-2,2,2-triphenyldisilane

Acta Crystallographica Section C

1,997

53

6

IUC9700006

10.1107/S0108270197099496

0.71073

MoKα

0.0946

0.0614

null

0.2228

0.1781

null

0.821

0.806

null

has coordinates,has Fobs

Stark, Joseph L.; Whitmire, Kenton H. [2-(tert-Butyldimethylsilyl)phenyl]diphenyl(2,2,4,4-tetramethylpent-3-yloxy)silane and its Disilane Precursor, 1-tert-Butyl-1,1-dimethyl-2,2,2-triphenyldisilane Acta Crystallographica Section C 53(6) (1997) IUC9700006

301,791

2025-08-18

23:15:28

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/62/2006249.cif $ #-------------------------------------------------------------------...

2,006,250

25.977

0.003

25.978

0.007

9.437

0.004

90

null

90

null

90

null

6,368

3

293

null

293

2

null

4

I -4

82

[2-(tert-Butyldimethylsilyl)phenyl]diphenyl(2,2,4,4-tetramethylpent-3-yl- oxy)silane

- C33 H48 O Si2 -

- C264 H384 O8 Si16 -

8

1

QB0006

Leigh, William J.; Kroll, Elizabeth C.; Toltl, Nicholas P.; Britten, James F.

[2-(tert-Butyldimethylsilyl)phenyl]diphenyl(2,2,4,4-tetramethylpent-3-yloxy)silane and its Disilane Precursor, 1-tert-Butyl-1,1-dimethyl-2,2,2-triphenyldisilane

Acta Crystallographica Section C

1,997

53

6

IUC9700006

10.1107/S0108270197099496

1.54178

CopperKα

0.1514

0.0797

null

0.2631

0.19

null

1.009

0.983

null

has coordinates,has Fobs

Leigh, William J.; Kroll, Elizabeth C.; Toltl, Nicholas P.; Britten, James F. [2-(tert-Butyldimethylsilyl)phenyl]diphenyl(2,2,4,4-tetramethylpent-3-yloxy)silane and its Disilane Precursor, 1-tert-Butyl-1,1-dimethyl-2,2,2-triphenyldisilane Acta Crystallographica Section C 53(6) (1997) IUC9700006

301,791

2025-08-18

23:15:28

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/62/2006250.cif $ #-------------------------------------------------------------------...

2,006,251

7.29

0.003

7.926

0.003

14.654

0.004

90

null

92.94

0.07

90

null

845.6

0.5

293

2

293

2

null

4

P 1 21 1

P 2yb

4

α-PNM

4'-nitrophenyl-α-D-mannopyranoside

- C14 H21 N O9 -

- C14.02 H15 N O9.01 -

- C28.04 H30 N2 O18.02 -

2

1

SK1000

Agianian, Bogos; Perrakis, Anastassis; Kanellopoulos, Panagiotis N.; Sheldrick, Bernard; Hamodrakas, Stavros J.

p-Nitrophenyl α-D-Mannopyranoside Ethanol Solvate

Acta Crystallographica Section C

1,997

53

6

811

814

10.1107/S0108270196015776

1.5418

CuKα

0.0682

0.0647

null

0.1767

0.1702

null

1.084

1.087

null

has coordinates,has disorder

Agianian, Bogos; Perrakis, Anastassis; Kanellopoulos, Panagiotis N.; Sheldrick, Bernard; Hamodrakas, Stavros J. p-Nitrophenyl α-D-Mannopyranoside Ethanol Solvate Acta Crystallographica Section C 53(6) (1997) 811-814

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/62/2006251.cif $ #-------------------------------------------------------------------...

4,322,067

13.325

0.003

23.976

0.005

26.774

0.007

90

null

98.77

0.02

90

null

8,454

3

293

2

293

2

null

7

P 1 21/n 1

-P 2yn

14

- C92 H104 Fe2 Ir Na O6 P4 -

- C368 H416 Fe8 Ir4 Na4 O24 P16 -

4

1

Bruno Longato; Lorenzo Riello; Giuliano Bandoli; Giuseppe Pilloni

Iridium(III, 0, and -I) Complexes Stabilized by 1,1'-Bis(diphenylphosphino)ferrocene (dppf): Synthesis and Characterization. Crystal Structures of [Na(THF)5][Ir(dppf)2].THF and [Ir(dppf)2]

Inorganic Chemistry

1,999

38

2818

2823

10.1021/ic981166s

0.71073

MoKα

0.0727

0.0427

null

0.2096

0.1174

null

1.138

1.115

null

has coordinates

Bruno Longato; Lorenzo Riello; Giuliano Bandoli; Giuseppe Pilloni Iridium(III, 0, and -I) Complexes Stabilized by 1,1'-Bis(diphenylphosphino)ferrocene (dppf): Synthesis and Characterization. Crystal Structures of [Na(THF)5][Ir(dppf)2].THF and [Ir(dppf)2] Inorganic Chemistry 38 (1999) 2818-2823

179,323

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:20:49 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179323 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/20/4322067.cif $ #-------------------------------------------------------------------...

2,006,252

8.384

0.002

10.898

0.002

14.822

0.005

90

null

92.76

0.02

90

null

1,352.7

0.6

293

2

293

2

null

5

P 1 21/c 1

-P 2ybc

14

Diclofenac acid

(2-((2,6-Dichlorophenyl)amino-phenyl)acetic acid (HD)

- C14 H11 Cl2 N O2 -

- C56 H44 Cl8 N4 O8 -

4

1

SK1077

Carlo Castellari; Stefano Ottani

Two Monoclinic Forms of Diclofenac Acid

Acta Crystallographica Section C

1,997

53

6

794

797

10.1107/S0108270197002126

0.71069

MoKα

0.1569

0.0397

null

0.1206

0.0859

null

1.005

1.172

null

has coordinates

Carlo Castellari; Stefano Ottani Two Monoclinic Forms of Diclofenac Acid Acta Crystallographica Section C 53(6) (1997) 794-797

301,791

2025-08-18

23:15:28

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/62/2006252.cif $ #-------------------------------------------------------------------...

2,006,253

20.226

0.004

6.971

0.003

20.061

0.004

90

null

109.64

0.02

90

null

2,664

1.4

293

2

293

2

null

5

C 1 2/c 1

-C 2yc

15

Diclofenac acid

(2-((2,6-Dichlorophenyl)amino-phenyl)acetic acid (HD)

- C14 H11 Cl2 N O2 -

- C112 H88 Cl16 N8 O16 -

8

1

SK1077

Carlo Castellari; Stefano Ottani

Two Monoclinic Forms of Diclofenac Acid

Acta Crystallographica Section C

1,997

53

6

794

797

10.1107/S0108270197002126

0.71069

MoKα

0.0711

0.0374

null

0.1126

0.0992

null

1.057

1.178

null

has coordinates

Carlo Castellari; Stefano Ottani Two Monoclinic Forms of Diclofenac Acid Acta Crystallographica Section C 53(6) (1997) 794-797

301,791

2025-08-18

23:15:28

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/62/2006253.cif $ #-------------------------------------------------------------------...

2,006,254

16.698

0.002

7.0361

0.0005

9.7093

0.0013

90

null

108.754

0.011

90

null

1,080.2

0.2

293

2

293

2

null

5

C 1 2 1

C 2y

5

His-Gly hydrochloride

L-Histidyl-glycinium Chloride

- C8 H13 Cl N4 O3 -

- C32 H52 Cl4 N16 O12 -

4

1

SX1019

Steiner, Thomas

L-Histidylglycinium Chloride, C~8~H~13~N~4~O~3~^+^.Cl^{-^}

Acta Crystallographica Section C

1,997

53

6

730

732

10.1107/S0108270197000590

1.54176

CuKα

0.0333

0.0318

null

0.0864

0.0854

null

1.072

1.083

null

has coordinates

Steiner, Thomas L-Histidylglycinium Chloride, C~8~H~13~N~4~O~3~^+^.Cl^{-^} Acta Crystallographica Section C 53(6) (1997) 730-732

301,791

2025-08-18

23:15:28

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/62/2006254.cif $ #-------------------------------------------------------------------...

2,006,255

7.313

0.003

7.122

0.002

7.0719

0.0015

90

null

94

0.03

90

null

367.4

0.2

158

2

158

2

null

5

P 1 21/m 1

-P 2yb

11

N-Methylmorpholinium chloride

- C5 H12 Cl N O -

- C10 H24 Cl2 N2 O2 -

2

0.5

TA1080

Turnbull, Mark M.

N-Methylmorpholinium Chloride

Acta Crystallographica Section C

1,997

53

6

818

820

10.1107/S0108270197002710

0.71073

MoKα

0.0329

0.0293

null

0.0823

0.0812

null

1.059

1.118

null

has coordinates

Turnbull, Mark M. N-Methylmorpholinium Chloride Acta Crystallographica Section C 53(6) (1997) 818-820

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/62/2006255.cif $ #-------------------------------------------------------------------...

2,006,256

11.81

0.001

13.8044

0.0007

8.925

0.001

90

null

101.32

0.008

90

null

1,426.7

0.2

300

2

300

2

null

4

P 1 21/c 1

-P 2ybc

14

3,4-dimethoxybenzylideneisonicotinoylhydrazone

- C15 H15 N3 O3 -

- C60 H60 N12 O12 -

4

1

TA1119

Chen, Wei; Zhang, X.; Shan, B.; You, X.

3,4-Dimethoxybenzaldehyde Isonicotinoylhydrazone

Acta Crystallographica Section C

1,997

53

6

775

777

10.1107/S0108270197000516

0.71073

MoKα

0.0955

0.0595

null

0.1405

0.1265

null

0.973

1.158

null

has coordinates

Chen, Wei; Zhang, X.; Shan, B.; You, X. 3,4-Dimethoxybenzaldehyde Isonicotinoylhydrazone Acta Crystallographica Section C 53(6) (1997) 775-777

301,791

2025-08-18

23:15:28

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/62/2006256.cif $ #-------------------------------------------------------------------...