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

2,010,661

6.4976

0.0004

12.729

0.001

14.741

0.001

73.4

0.01

81.98

0.01

74.61

0.01

1,123.81

0.16

100

2

100

2

null

7

P -1

-P 1

2

bis(ethylenediamine)pyrimidinyl-2-carboxylato Co(3+) trifluoromethanesulfonate dihydrate

- C11 H23 Co F6 N6 O10 S2 -

- C22 H46 Co2 F12 N12 O20 S4 -

2

1

QA0203

Antolić, Snježana; Kojić-Prodić, Biserka; Lovrić, Jasna

Bis(ethylenediamine-N,N')(pyrimidine-2-carboxylato-N^1^,O)cobalt(III) bis(trifluoromethanesulfonate) dihydrate

Acta Crystallographica Section C

2,000

56

2

e51

e52

10.1107/S0108270100000561

0.71073

MoKα

0.0815

0.037

null

0.0989

null

0.949

null

has coordinates,has Fobs

Antolić, Snježana; Kojić-Prodić, Biserka; Lovrić, Jasna Bis(ethylenediamine-N,N')(pyrimidine-2-carboxylato-N^1^,O)cobalt(III) bis(trifluoromethanesulfonate) dihydrate Acta Crystallographica Section C 56(2) (2000) e51-e52

301,798

2025-08-19

6:41:46

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2,010,662

6.1467

0.0012

8.075

0.003

5.77

0.002

101.93

0.03

108.27

0.02

76.65

0.02

261.79

0.15

293

2

293

2

null

4

P -1

-P 1

2

- C6 H18 Cl2 N2 -

1

0.5

QA0205

Kabak, Mehmet; Elerman, Yalçin; Ünalerog̋lu, Canan; Mert, Yüksel; Durlu, T.Nuri

N,N,N',N'-Tetramethylethylenediammonium dichloride

Acta Crystallographica Section C

2,000

56

2

e66

e67

10.1107/S0108270100001050

0.71069

MoKα

0.053

0.046

null

0.127

null

1.355

null

has coordinates,has Fobs

Kabak, Mehmet; Elerman, Yalçin; Ünalerog̋lu, Canan; Mert, Yüksel; Durlu, T.Nuri N,N,N',N'-Tetramethylethylenediammonium dichloride Acta Crystallographica Section C 56(2) (2000) e66-e67

301,798

2025-08-19

6:41:46

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2,010,663

10.868

0.0014

12.5889

0.0016

13.835

0.002

114.432

0.013

109.881

0.013

95.87

0.014

1,554

0.5

293

2

293

2

null

8

P -1

-P 1

2

Di-μ-chloro-bis{1,2-bis(diphenylphosphino)ethane}dipalladium(II) bis(tetrafluoroborate).2CDCl~3~

- C54 H48 B2 Cl8 D2 F8 P4 Pd2 -

- C54 H50 B2 Cl8 F8 P4 Pd2 -

1

0.5

QA0208

Abu-Surrah, Adnan S.; Klinga, Martti; Repo, Timo; Leskelä, Markku; Debaerdemaeker, Tony; Rieger, Bernhard

Inhibition of a palladium(II) catalyst upon formation of a di-μ-chloro complex: di-μ-chloro-bis[1,2-bis(diphenylphosphino)ethane-P,P']dipalladium(II) bis(tetrafluoroborate) bis(deuterochloroform) solvate

Acta Crystallographica Section C

2,000

56

2

e44

e45

10.1107/S0108270100000639

0.71073

MoKα

0.056

0.042

null

0.114

null

1.001

null

has coordinates,has Fobs

Abu-Surrah, Adnan S.; Klinga, Martti; Repo, Timo; Leskelä, Markku; Debaerdemaeker, Tony; Rieger, Bernhard Inhibition of a palladium(II) catalyst upon formation of a di-μ-chloro complex: di-μ-chloro-bis[1,2-bis(diphenylphosphino)ethane-P,P']dipalladium(II) bis(tetrafluoroborate) bis(deuterochloroform) solv...

176,760

2020-10-21

18:00:00

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2,010,664

7.4055

0.0002

10.3008

0.0004

13.6543

0.0005

79.896

0.001

79.283

0.002

85.338

0.002

1,006.27

0.06

291

1

291

1

null

5

P -1

-P 1

2

- C23 H19 N2 O3 P -

- C46 H38 N4 O6 P2 -

2

1

QA0211

Reeske, Gregor; Schürmann, Markus; Preut, Hans; Mitchell, Terence Nigel

4-(Diphenylphosphinoyl)-3-methyl-N-phenyl-1,2-isoxazole-5-carboxamide

Acta Crystallographica Section C

2,000

56

2

e72

10.1107/S0108270100001098

0.71069

MoKα

0.051

0.035

null

0.096

null

0.998

null

has coordinates,has Fobs

Reeske, Gregor; Schürmann, Markus; Preut, Hans; Mitchell, Terence Nigel 4-(Diphenylphosphinoyl)-3-methyl-N-phenyl-1,2-isoxazole-5-carboxamide Acta Crystallographica Section C 56(2) (2000) e72-e72

301,798

2025-08-19

6:41:46

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2,010,665

7.64

0.002

12.7121

0.0014

10.2205

0.0007

90

null

91.668

0.011

90

null

992.2

0.3

294

1

294

1

null

4

P 1 21/n 1

-P 2yn

14

2,3,3a,4,5a,6,7,8-Octahydro-5a-methyl-6,9-methano-1H,9H-5-oxa-4-azacyclo- penta[c]indene

- C12 H15 N O -

- C48 H60 N4 O4 -

4

1

QA0212

Tam, William; Handerson, Sean; Ferguson, George

2,3,3a,4,5a,6,7,8-Octahydro-5a-methyl-6,9-methano-1H,9H-5-oxa-4-azacyclopenta[c]indene

Acta Crystallographica Section C

2,000

56

2

e71

10.1107/S0108270100001086

0.7107

MoKα

0.0668

0.0442

null

0.109

null

1.044

null

has coordinates,has Fobs

Tam, William; Handerson, Sean; Ferguson, George 2,3,3a,4,5a,6,7,8-Octahydro-5a-methyl-6,9-methano-1H,9H-5-oxa-4-azacyclopenta[c]indene Acta Crystallographica Section C 56(2) (2000) e71-e71

301,798

2025-08-19

6:41:46

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2,010,666

10.652

0.001

7.002

0.001

16.427

0.001

90

null

93.36

0.01

90

null

1,223.1

0.2

173

2

173

2

null

6

P 1 21/c 1

-P 2ybc

14

- C7 H15 Br2 N O Sn -

- C28 H60 Br8 N4 O4 Sn4 -

4

1

QA0215

König, Uwe-Christoph; Berkei, Michael; Neikes, Frank; Preut, Hans; Mitchell, Terence Nigel

A 1:1 adduct between dimethyltin dibromide and N-methylpyrrolidinone (NMP)

Acta Crystallographica Section C

2,000

56

2

e53

e54

10.1107/S0108270100001104

0.71069

MoKα

0.029

0.024

null

0.059

null

1.049

null

has coordinates,has Fobs

König, Uwe-Christoph; Berkei, Michael; Neikes, Frank; Preut, Hans; Mitchell, Terence Nigel A 1:1 adduct between dimethyltin dibromide and N-methylpyrrolidinone (NMP) Acta Crystallographica Section C 56(2) (2000) e53-e54

176,760

2020-10-21

18:00:00

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2,010,667

10.3136

0.0003

12.124

0.001

27.139

0.003

100.346

0.009

93.422

0.007

97.605

0.007

3,296.8

0.5

298

2

298

2

null

5

P -1

-P 1

2

iso-Propylxanthatotriphenyltin

- C22 H22 O S2 Sn -

- C132 H132 O6 S12 Sn6 -

6

3

QB0127

Ng, Seik Weng; Rae, A. David

A pseudosymmetric triclinic modification of triphenyltin isopropylxanthate

Acta Crystallographica Section C

2,000

56

2

e47

e48

10.1107/S0108270100000457

0.71073

MoKα

0.085

0.05

null

0.09

null

1.45

null

has coordinates

Ng, Seik Weng; Rae, A. David A pseudosymmetric triclinic modification of triphenyltin isopropylxanthate Acta Crystallographica Section C 56(2) (2000) e47-e48

176,760

2020-10-21

18:00:00

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2,010,668

12.26

0.003

15.025

0.002

16.347

0.003

90

null

99

0.02

90

null

2,974.2

1

293

2

293

2

null

4

P 1 21/n 1

-P 2yn

14

Dimethyl[1,3-bis(diphenylphosphino)propane]palladium(II) hemitoluene

- C32.5 H36 P2 Pd -

- C130 H144 P8 Pd4 -

4

1

QB0151

Abu-Surrah, Adnan S.; Debaerdemaeker, Tony; Huhn, Wolfgang; Rieger, Bernhard; Klinga, Martti; Repo, Timo; Leskelä, Markku

An alkyl‒palladium(II) complex with a bidentate phosphine ligand: [1,3-bis(diphenylphosphino)propane-P,P']dimethylpalladium(II) toluene hemisolvate

Acta Crystallographica Section C

2,000

56

2

e42

e43

10.1107/S0108270100000391

0.71073

MoKα

0.03

0.023

null

0.062

null

1.036

null

has coordinates,has disorder,has Fobs

Abu-Surrah, Adnan S.; Debaerdemaeker, Tony; Huhn, Wolfgang; Rieger, Bernhard; Klinga, Martti; Repo, Timo; Leskelä, Markku An alkyl‒palladium(II) complex with a bidentate phosphine ligand: [1,3-bis(diphenylphosphino)propane-P,P']dimethylpalladium(II) toluene hemisolvate Acta Crystallographica Section C 56(...

176,435

2020-10-21

18:00:00

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2,010,669

6.8709

0.0001

6.8709

0.0001

29.0432

0.0002

90

null

90

null

90

null

1,371.11

0.03

293

2

293

2

null

4

I 41/a m d :2

-I 4bd 2

141

Zirconium dihydroxide chromate

- Cr H2 O6 Zr -

- Cr O6 Zr -

- Cr12 O72 Zr12 -

12

0.375

QB0152

Casari, Barbara M.; Langer, Vratislav

Zirconium dihydroxide chromate

Acta Crystallographica Section C

2,000

56

2

e36

e37

10.1107/S0108270100000421

0.71073

MoKα

0.031

0.025

null

0.07

null

1.04

null

has coordinates,has Fobs

Casari, Barbara M.; Langer, Vratislav Zirconium dihydroxide chromate Acta Crystallographica Section C 56(2) (2000) e36-e37

176,760

2020-10-21

18:00:00

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2,010,670

11.953

0.002

18.433

0.004

11.954

0.002

90

null

114.86

0.03

90

null

2,389.8

1

150

0.1

150

0.1

null

5

P 1 21/n 1

-P 2yn

14

4,5-bis(ferrocenylmethylthio)-1,3-dithiole-2-one

- C25 H22 Fe2 O S4 -

- C100 H88 Fe8 O4 S16 -

4

1

QB0159

Chohan, Zahid, H.; Howie, R. Alan; Wardell, James L.; Low, John Nicolson

4,5-Bis(ferrocenylmethylthio)-1,3-dithiol-2-one

Acta Crystallographica Section C

2,000

56

2

e46

10.1107/S0108270100000408

0.71073

MoKα

0.155

0.056

null

0.148

null

0.947

null

has coordinates,has Fobs

Chohan, Zahid, H.; Howie, R. Alan; Wardell, James L.; Low, John Nicolson 4,5-Bis(ferrocenylmethylthio)-1,3-dithiol-2-one Acta Crystallographica Section C 56(2) (2000) e46-e46

176,760

2020-10-21

18:00:00

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2,010,671

24.225

0.003

8.307

0.003

25.396

0.002

90

null

113.505

0.005

90

null

4,686.6

1.8

296

2

296

2

null

5

C 1 2/c 1

-C 2yc

15

- C14 H33 N6 O11.5 Pd -

- C112 H264 N48 O92 Pd8 -

8

1

QB0161

Noguchi, Kishie; Yuge, Hidetaka; Miyamoto, Takeshi Ken

An organopalladium(II) compound including enolate oxygen- and sp^3^-carbon-bound 1,3-dimethylbarbiturate ligands: (1,2-diaminoethane)bis(1,3-dimethylbarbiturato)palladium(II) 5.5-hydrate

Acta Crystallographica Section C

2,000

56

2

e40

e41

10.1107/S010827010000041X

0.71069

MoKα

0.068

0.032

null

0.08

null

1.016

null

has coordinates,has Fobs

Noguchi, Kishie; Yuge, Hidetaka; Miyamoto, Takeshi Ken An organopalladium(II) compound including enolate oxygen- and sp^3^-carbon-bound 1,3-dimethylbarbiturate ligands: (1,2-diaminoethane)bis(1,3-dimethylbarbiturato)palladium(II) 5.5-hydrate Acta Crystallographica Section C 56(2) (2000) e40-e41

176,760

2020-10-21

18:00:00

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2,010,672

18.3948

0.0013

7.4649

0.0014

13.2477

0.0016

90

null

124.752

0.004

90

null

1,494.6

0.4

296

2

296

2

null

6

C 1 2/c 1

-C 2yc

15

- C8 H18 Cl2 Ir N5 O4 -

- C32 H72 Cl8 Ir4 N20 O16 -

4

0.5

QB0165

Ohashi, Masataka; Kajiyama, Kazumasa; Yuge, Hidetaka; Miyamoto, Takeshi Ken

Ammonium dichlorobis(dimethylglyoximato-N,N')iridate(III)

Acta Crystallographica Section C

2,000

56

2

e38

e39

10.1107/S010827010000038X

0.71069

MoKα

0.0251

0.0139

null

0.0345

null

1.049

null

has coordinates,has Fobs

Ohashi, Masataka; Kajiyama, Kazumasa; Yuge, Hidetaka; Miyamoto, Takeshi Ken Ammonium dichlorobis(dimethylglyoximato-N,N')iridate(III) Acta Crystallographica Section C 56(2) (2000) e38-e39

176,760

2020-10-21

18:00:00

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2,010,673

10.758

0.002

15.879

0.003

11.04

0.002

90

null

112.74

0.01

90

null

1,739.3

0.6

296

2

296

2

null

4

P 1 21 1

P 2yb

4

none

3-Ethoxy-4-[(1'R,2'S)-(2'-hydroxy-1',2'-diphenyl)ethylamino]-3-cyclobutene- 1,2-dione

- C20 H19 N O4 -

- C80 H76 N4 O16 -

4

2

QB0166

Zhou, Haibing; Yuan, Yi; Chan, Albert S. C.; Yang, Teng-Kuei; Xie, Rugang

The new chiral ligand 3-ethoxy-4-[(1R,2S)-(2-hydroxy-1,2-diphenylethyl)amino]-3-cyclobutene-1,2-dione

Acta Crystallographica Section C

2,000

56

2

e57

10.1107/S0108270100000378

0.71073

MoKα

0.07

0.038

null

0.073

null

0.846

null

has coordinates,has Fobs

Zhou, Haibing; Yuan, Yi; Chan, Albert S. C.; Yang, Teng-Kuei; Xie, Rugang The new chiral ligand 3-ethoxy-4-[(1R,2S)-(2-hydroxy-1,2-diphenylethyl)amino]-3-cyclobutene-1,2-dione Acta Crystallographica Section C 56(2) (2000) e57-e57

301,798

2025-08-19

6:41:46

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2,010,674

34.497

0.007

7.796

0.002

7.503

0.002

90

null

95.12

0.03

90

null

2,009.8

0.9

150

0.1

150

0.1

null

5

P 1 21/c 1

-P 2ybc

14

Dodecyl 2-nitrophenyl disulphide

- C18 H29 N O2 S2 -

- C72 H116 N4 O8 S8 -

4

1

QB0167

Low, John Nicolson; Wardell, James L.

Dodecyl 2-nitrophenyl disulphide

Acta Crystallographica Section C

2,000

56

2

e62

10.1107/S0108270100000470

0.71073

MoKα

0.143

0.07

null

0.21

null

1.025

null

has coordinates,has Fobs

Low, John Nicolson; Wardell, James L. Dodecyl 2-nitrophenyl disulphide Acta Crystallographica Section C 56(2) (2000) e62-e62

176,760

2020-10-21

18:00:00

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2,010,675

10.0818

0.0003

16.122

0.0007

13.7747

0.0006

90

null

90

null

90

null

2,238.92

0.15

150

0.1

150

0.1

null

6

P b c a

-P 2ac 2ab

61

2-aminoethoxybis(2-thienyl)boron

- C10 H12 B N O S2 -

- C80 H96 B8 N8 O8 S16 -

8

1

QB0168

Low, John Nicolson; Musgrave, Oliver, C.; Wardell, James, L.

(2-Aminoethoxy)bis(2-thienyl)boron

Acta Crystallographica Section C

2,000

56

2

e63

10.1107/S0108270100000482

0.71073

MoKα

0.074

0.046

null

0.122

null

1.063

null

has coordinates,has Fobs

Low, John Nicolson; Musgrave, Oliver, C.; Wardell, James, L. (2-Aminoethoxy)bis(2-thienyl)boron Acta Crystallographica Section C 56(2) (2000) e63-e63

301,798

2025-08-19

6:41:46

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2,010,676

7.488

0.003

12.475

0.005

18.176

0.006

90

null

97.15

0.03

90

null

1,684.7

1.1

193

2

193

2

null

6

P 1 21/c 1

-P 2ybc

14

{2-[(3-aminopropyl)aminopropyliminomethyl]imidazolato-N, N', N'', N'''}- (methanol-O)copper(II) perchlorate.

- C11 H22 Cl Cu N5 O5 -

- C44 H88 Cl4 Cu4 N20 O20 -

4

1

QB0169

Pajunen, Aarne; Cámara, Fernando; Dominques-Vera, Jose M.; Colacio, Enrique

{2-[(3-Aminopropyl)aminopropyliminomethyl]imidazolato-N,N',N'',N'''}(methanol-O)copper(II) perchlorate

Acta Crystallographica Section C

2,000

56

2

e49

e50

10.1107/S0108270100000494

0.71073

MoKα

0.047

0.041

null

0.111

null

1.089

null

has coordinates,has Fobs

Pajunen, Aarne; Cámara, Fernando; Dominques-Vera, Jose M.; Colacio, Enrique {2-[(3-Aminopropyl)aminopropyliminomethyl]imidazolato-N,N',N'',N'''}(methanol-O)copper(II) perchlorate Acta Crystallographica Section C 56(2) (2000) e49-e50

301,798

2025-08-19

6:41:46

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2,010,677

13.8148

0.0016

13.8148

0.0016

13.8148

0.0016

90

null

90

null

90

null

2,636.5

0.5

293

2

293

2

null

5

F m -3 m

-F 4 2 3

225

Bis(tetramethylammonium)Nonadecaoxohexamolybdenum(VI) Solvate Hydrate

- C8 H24 Mo6 N2 O20 -

- C32 H96 Mo24 N8 O80 -

4

0.020833

QB0170

Wu, Dingming; Wang, Sheng; Lin, Xiang; Lu, Canzhong; Zhuang, Honghui

Bis(tetramethylammonium) nonadecaoxohexamolybdenum(VI) monohydrate

Acta Crystallographica Section C

2,000

56

2

e55

e56

10.1107/S0108270100001116

0.71073

MoKα

0.039

0.034

null

0.095

null

1.326

null

has coordinates,has Fobs

Wu, Dingming; Wang, Sheng; Lin, Xiang; Lu, Canzhong; Zhuang, Honghui Bis(tetramethylammonium) nonadecaoxohexamolybdenum(VI) monohydrate Acta Crystallographica Section C 56(2) (2000) e55-e56

176,760

2020-10-21

18:00:00

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2,010,678

7.199

0.001

12.896

0.001

25.077

0.003

90

null

90

null

90

null

2,328.1

0.5

296

2

296

2

null

4

P b c a

-P 2ac 2ab

61

1:1 Complex of 4-Nitrophenol and 4-Methyl-Pyridine

- C12 H12 N2 O3 -

- C96 H96 N16 O24 -

8

1

QB0172

Jin, Zhi Min; Pan, Yuan Jiang; Xu, Duan Jun; Xu, Yuan Zhi

The 1:1 complex of 4-nitrophenol and 4-methylpyridine

Acta Crystallographica Section C

2,000

56

2

e69

e70

10.1107/S0108270100001074

0.71073

MoKα

0.118

0.037

null

0.077

null

0.81

null

has coordinates

Jin, Zhi Min; Pan, Yuan Jiang; Xu, Duan Jun; Xu, Yuan Zhi The 1:1 complex of 4-nitrophenol and 4-methylpyridine Acta Crystallographica Section C 56(2) (2000) e69-e70

301,798

2025-08-19

6:41:46

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2,010,679

6.877

0.001

9.787

0.001

15.547

0.002

90

null

96.91

0.02

90

null

1,038.8

0.2

173

null

173

null

4

P 1 21/c 1

-P 2ybc

14

- C12 H9 Cl N2 -

- C48 H36 Cl4 N8 -

4

1

SK1328

Hensen, Karl; Spangenberg, Björn; Bolte, Michael

Two phenanthroline hydrochlorides

Acta Crystallographica Section C

2,000

56

2

208

210

10.1107/S0108270199013815

0.71073

MoKα

0.1377

0.0679

null

0.1498

0.1247

0.1498

null

1.05

null

1.05

null

has coordinates,has Fobs

Hensen, Karl; Spangenberg, Björn; Bolte, Michael Two phenanthroline hydrochlorides Acta Crystallographica Section C 56(2) (2000) 208-210

301,798

2025-08-19

6:41:46

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2,010,680

26.017

0.003

7.222

0.001

19.461

0.002

90

null

90.77

0.01

90

null

3,656.3

0.8

173

2

173

2

null

4

P 1 21/c 1

-P 2ybc

14

- C37 H29 Cl7 N6 -

- C148 H116 Cl28 N24 -

4

1

SK1328

Hensen, Karl; Spangenberg, Björn; Bolte, Michael

Two phenanthroline hydrochlorides

Acta Crystallographica Section C

2,000

56

2

208

210

10.1107/S0108270199013815

0.71073

MoKα

0.0855

0.0431

null

0.0898

null

1.054

null

has coordinates,has Fobs

Hensen, Karl; Spangenberg, Björn; Bolte, Michael Two phenanthroline hydrochlorides Acta Crystallographica Section C 56(2) (2000) 208-210

301,798

2025-08-19

6:41:46

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2,010,681

9.8185

0.0004

10.5191

0.0004

10.8556

0.0005

61.474

0.001

76.764

0.001

70.973

0.001

927.62

0.07

293

2

293

2

null

5

P -1

-P 1

2

Hexakis(imidazole)nickel(II) di(p-methoxybenzoate), [Ni(Im)~6~(mB)~2~] (Im = imidazole, mB = p-methoxybenzoate)

- C34 H38 N12 Ni O6 -

1

0.5

SK1338

Zuoxiang Wang; Yurong Zhang; Ibrahim Abdul Razak; S.Shanmuga Sundara Raj; Hoong-Kun Fun; Fengsheng Li; Hongchang Song

Hexakis(imidazole-N^3^)nickel(II) bis(4-methoxybenzoate)

Acta Crystallographica Section C

2,000

56

2

161

162

10.1107/S0108270199013827

0.71073

MoKα

0.06

0.052

null

0.14

null

1

null

has coordinates,has Fobs

Zuoxiang Wang; Yurong Zhang; Ibrahim Abdul Razak; S.Shanmuga Sundara Raj; Hoong-Kun Fun; Fengsheng Li; Hongchang Song Hexakis(imidazole-N^3^)nickel(II) bis(4-methoxybenzoate) Acta Crystallographica Section C 56(2) (2000) 161-162

301,798

2025-08-19

6:41:46

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2,010,682

7.3969

0.0004

26.703

0.0009

6.0594

0.0003

90

null

90

null

90

null

1,196.85

0.1

293

null

295

3

null

4

C c c 2

C 2 -2c

37

4,4'-dibromobenzophenone

- C13 H8 Br2 O -

- C52 H32 Br8 O4 -

4

0.5

SK1339

Perić, Berislav; Kojić-Prodić, Biserka

4,4'-Dibromobenzophenone at 293 and 103K

Acta Crystallographica Section C

2,000

56

2

211

212

10.1107/S0108270199013839

1.54184

CuKα

0.0342

0.0223

null

0.0658

null

1.052

null

has coordinates,has Fobs

Perić, Berislav; Kojić-Prodić, Biserka 4,4'-Dibromobenzophenone at 293 and 103K Acta Crystallographica Section C 56(2) (2000) 211-212

301,798

2025-08-19

6:41:46

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2,010,683

7.2242

0.0002

26.5957

0.0009

6.0118

0.0002

90

null

90

null

90

null

1,155.06

0.06

103

3

103

3

null

4

C c c 2

C 2 -2c

37

4,4'-dibromobenzophenone

- C13 H8 Br2 O -

- C52 H32 Br8 O4 -

4

0.5

SK1339

Perić, Berislav; Kojić-Prodić, Biserka

4,4'-Dibromobenzophenone at 293 and 103K

Acta Crystallographica Section C

2,000

56

2

211

212

10.1107/S0108270199013839

1.54184

CuKα

0.0204

0.0191

null

0.0533

null

1.157

null

has coordinates,has Fobs

Perić, Berislav; Kojić-Prodić, Biserka 4,4'-Dibromobenzophenone at 293 and 103K Acta Crystallographica Section C 56(2) (2000) 211-212

301,798

2025-08-19

6:41:46

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2,010,684

10.8397

0.0006

8.7317

0.0006

12.867

0.0009

90

null

102.16

0.004

90

null

1,190.52

0.14

100

1

100

1

null

5

P 1 21/n 1

-P 2yn

14

Bis(4-hydroxybenzoato)(1,4,8,11-tetraazacyclotetradecane)nickel(II)

- C24 H34 N4 Ni O6 -

- C48 H68 N8 Ni2 O12 -

2

0.5

SK1344

Glidewell, Christopher; Ferguson, George; Gregson, Richard M.; Lough, Alan J.

Bis(4-hydroxybenzoato-O)(1,4,8,11-tetraazacyclotetradecane-κ^4^N)nickel(II): a three-dimensional framework built from O—H···O and N—H···O hydrogen bonds

Acta Crystallographica Section C

2,000

56

2

174

176

10.1107/S0108270199014249

0.71073

MoKα

0.0577

0.0385

null

0.0891

null

1.027

null

has coordinates,has Fobs

Glidewell, Christopher; Ferguson, George; Gregson, Richard M.; Lough, Alan J. Bis(4-hydroxybenzoato-O)(1,4,8,11-tetraazacyclotetradecane-κ^4^N)nickel(II): a three-dimensional framework built from O—H···O and N—H···O hydrogen bonds Acta Crystallographica Section C 56(2) (2000) 174-176

301,798

2025-08-19

6:41:46

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2,010,685

22.813

0.004

29.024

0.006

17.113

0.004

90

null

90

null

90

null

11,331

4

293

2

293

2

null

7

F d d 2

F 2 -2d

43

Bis[chlorobis(1,10-phenanthroline-N,N')(thiourea-S)nickel(II)]chloride nitrate diethanol solvate

- C54 H52 Cl3 N13 Ni2 O5 S2 -

- C432 H416 Cl24 N104 Ni16 O40 S16 -

8

0.5

SX1095

Leopoldo Suescun; Alvaro W. Mombrú; Raúl A. Mariezcurrena; Helena Pardo; Silvia Russi; Ricardo Baggio

Bis[chlorobis(1,10-phenanthroline-N,N')(thiourea-S)nickel(II)] chloride nitrate diethanol solvate

Acta Crystallographica Section C

2,000

56

2

179

181

10.1107/S0108270199014833

0.71069

MoKα

0.078

0.066

null

0.209

null

1.096

null

has coordinates

Leopoldo Suescun; Alvaro W. Mombrú; Raúl A. Mariezcurrena; Helena Pardo; Silvia Russi; Ricardo Baggio Bis[chlorobis(1,10-phenanthroline-N,N')(thiourea-S)nickel(II)] chloride nitrate diethanol solvate Acta Crystallographica Section C 56(2) (2000) 179-181

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/06/2010685.cif $ #-------------------------------------------------------------------...

2,010,686

5.393

0.001

9.13

0.002

11.963

0.002

92.67

0.03

95.02

0.03

100.45

0.03

575.9

0.2

293

2

293

2

null

4

P 1

1

tylophorine-B benzene solvate

2,3,6 trimethoxy phenanthro [9,10:6',7'] indolizedine

- C29 H31 N O3 -

1

TA1256

Wang, Qiguang; Xie, Liang; Zhai, Jianjun

Tylophorine B benzene solvate

Acta Crystallographica Section C

2,000

56

2

197

198

10.1107/S0108270199013499

0.71073

MoKα

0.077

0.062

null

0.193

null

1.131

null

has coordinates

Wang, Qiguang; Xie, Liang; Zhai, Jianjun Tylophorine B benzene solvate Acta Crystallographica Section C 56(2) (2000) 197-198

301,798

2025-08-19

6:41:46

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/06/2010686.cif $ #-------------------------------------------------------------------...

2,010,687

13.888

0.003

10.947

0.002

22.33

0.005

90

null

90.01

0.02

90

null

3,394.9

1.2

129

null

129

null

7

P 1 21/n 1

-P 2yn

14

sodium tetraphenylphosphonium bis(2-mercapto-4- methylphenolato)oxovanadate(IV)]

- C38 H32 Na O3 P S2 V -

- C152 H128 Na4 O12 P4 S8 V4 -

4

1

BK1473

Challen, Paul R.; McConville, David B.; Youngs, Wiley J.

One-dimensional chains in sodium tetraphenylphosphonium bis(2-mercapto-4-methylphenolato-O,S)oxovanadate(IV)

Acta Crystallographica Section C

2,000

56

3

310

311

10.1107/S0108270199015838

0.71073

MoKα

0.051

0.0328

null

0.0719

0.0693

null

1.004

1.157

null

has coordinates

Challen, Paul R.; McConville, David B.; Youngs, Wiley J. One-dimensional chains in sodium tetraphenylphosphonium bis(2-mercapto-4-methylphenolato-O,S)oxovanadate(IV) Acta Crystallographica Section C 56(3) (2000) 310-311

176,435

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/06/2010687.cif $ #-------------------------------------------------------------------...

2,010,688

10.121

0.003

10.121

0.003

26.118

0.01

90

null

90

null

90

null

2,675.4

1.5

153

2

153

2

null

6

P 41 21 2

P 4abw 2nw

92

N-(diphenylphosphinoselenoyl)-P,P-diphenyl- tetrahydrofuran solvate

- C28 H29 N O P2 Se2 -

- C112 H116 N4 O4 P8 Se8 -

4

0.5

BK1508

Pernin, Christopher G.; Ibers, James A.

Two tetrahydrofuran solvates of HN(SePPh~2~)~2~

Acta Crystallographica Section C

2,000

56

3

376

378

10.1107/S010827019901584X

0.71073

MoKα

0.0278

0.0222

null

0.0586

null

0.972

null

has coordinates

Pernin, Christopher G.; Ibers, James A. Two tetrahydrofuran solvates of HN(SePPh~2~)~2~ Acta Crystallographica Section C 56(3) (2000) 376-378

301,798

2025-08-19

6:41:46

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/06/2010688.cif $ #-------------------------------------------------------------------...

2,010,689

8.796

0.002

13.248

0.003

13.864

0.003

97.832

0.004

102.673

0.004

94.545

0.004

1,551.5

0.6

153

2

153

2

null

6

P -1

-P 1

2

N-(diphenylphosphinoselenoyl)-P,P-diphenyl- tetrahydrofuran solvate

- C32 H37 N O2 P2 Se2 -

- C64 H74 N2 O4 P4 Se4 -

2

1

BK1508

Pernin, Christopher G.; Ibers, James A.

Two tetrahydrofuran solvates of HN(SePPh~2~)~2~

Acta Crystallographica Section C

2,000

56

3

376

378

10.1107/S010827019901584X

0.71073

MoKα

0.0462

0.0354

null

0.0891

null

1.242

null

has coordinates

Pernin, Christopher G.; Ibers, James A. Two tetrahydrofuran solvates of HN(SePPh~2~)~2~ Acta Crystallographica Section C 56(3) (2000) 376-378

301,798

2025-08-19

6:41:46

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2,010,690

9.4003

0.0012

9.4003

0.0012

17.35

0.004

90

null

90

null

120

null

1,327.7

0.4

293

2

293

2

null

4

P -6 2 c

P -6c -2c

190

Praseodimium oxydiacetate

- C12 H28 O23 Pr2 -

- C12 H12 O22.998 Pr2 -

- C24 H24 O45.996 Pr4 -

2

0.166667

BK1511

Baggio, Ricardo; Perec, Mireille; Garland, Maria Teresa

Triaquatris(μ-oxydiacetato)dipraseodymium(III) pentahydrate and hexaaquatris(μ-oxydiacetato)dineodymium(III) oxydiacetic acid solvate dihydrate

Acta Crystallographica Section C

2,000

56

3

312

315

10.1107/S0108270199015851

0.71073

MoKα

0.032

0.02

null

0.059

null

1.083

null

has coordinates

Baggio, Ricardo; Perec, Mireille; Garland, Maria Teresa Triaquatris(μ-oxydiacetato)dipraseodymium(III) pentahydrate and hexaaquatris(μ-oxydiacetato)dineodymium(III) oxydiacetic acid solvate dihydrate Acta Crystallographica Section C 56(3) (2000) 312-315

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/06/2010690.cif $ #-------------------------------------------------------------------...

2,010,691

14.096

0.002

6.844

0.001

32.223

0.003

90

null

99.59

0.01

90

null

3,065.2

0.7

293

2

293

2

null

4

P 1 21/n 1

-P 2yn

14

Neodimium oxydiacetate

- C16 H34 Nd2 O28 -

- C16 H16 Nd2 O28 -

- C64 H64 Nd8 O112 -

4

1

BK1511

Baggio, Ricardo; Perec, Mireille; Garland, Maria Teresa

Triaquatris(μ-oxydiacetato)dipraseodymium(III) pentahydrate and hexaaquatris(μ-oxydiacetato)dineodymium(III) oxydiacetic acid solvate dihydrate

Acta Crystallographica Section C

2,000

56

3

312

315

10.1107/S0108270199015851

0.71073

MoKα

0.089

0.047

null

0.145

null

1.032

null

has coordinates

Baggio, Ricardo; Perec, Mireille; Garland, Maria Teresa Triaquatris(μ-oxydiacetato)dipraseodymium(III) pentahydrate and hexaaquatris(μ-oxydiacetato)dineodymium(III) oxydiacetic acid solvate dihydrate Acta Crystallographica Section C 56(3) (2000) 312-315

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/06/2010691.cif $ #-------------------------------------------------------------------...

2,010,692

7.903

0.004

11.068

0.004

17.053

0.003

90

null

90

null

90

null

1,491.6

1

296

null

5

P n n a

-P 2a 2bc

52

- C14 H10 Cu N2 O9 -

- C56 H40 Cu4 N8 O36 -

4

0.5

BM1356

Okabe, Nobuo; Oya, Naomi

Copper(II) and zinc(II) complexes of pyridine-2,6-dicarboxylic acid

Acta Crystallographica Section C

2,000

56

3

305

307

10.1107/S0108270199015565

0.71069

MoKα

null

0.081

null

0.129

null

1.03

null

has coordinates

Okabe, Nobuo; Oya, Naomi Copper(II) and zinc(II) complexes of pyridine-2,6-dicarboxylic acid Acta Crystallographica Section C 56(3) (2000) 305-307

301,798

2025-08-19

6:41:46

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2,010,693

13.765

0.002

10.052

0.002

14.06

0.002

90

null

116.554

0.008

90

null

1,740.2

0.5

296

null

5

P 1 21/a 1

-P 2yab

14

- C14 H14 N2 O11 Zn -

- C56 H56 N8 O44 Zn4 -

4

1

BM1356

Okabe, Nobuo; Oya, Naomi

Copper(II) and zinc(II) complexes of pyridine-2,6-dicarboxylic acid

Acta Crystallographica Section C

2,000

56

3

305

307

10.1107/S0108270199015565

0.71069

MoKα

null

0.058

null

0.114

null

1.36

null

has coordinates

Okabe, Nobuo; Oya, Naomi Copper(II) and zinc(II) complexes of pyridine-2,6-dicarboxylic acid Acta Crystallographica Section C 56(3) (2000) 305-307

301,798

2025-08-19

6:41:46

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/06/2010693.cif $ #-------------------------------------------------------------------...

2,010,694

9.512

0.003

20.472

0.01

14.412

0.003

90

null

99.92

0.02

90

null

2,764.5

1.7

293

null

5

P 1 21/n 1

-P 2yn

14

Aquatris(trans-2,3-dimethylacrylato)(1,10-phenanthroline)ytterbium(III)

- C27 H31 N2 O7 Yb -

- C108 H124 N8 O28 Yb4 -

4

1

BM1371

Lu, Weimin; Wu, Bin; Wang, Lina; Lu, Yueqing

Aquatris(1,10-phenanthroline)(trans-2,3-dimethylacrylato)ytterbium(III)

Acta Crystallographica Section C

2,000

56

3

316

318

10.1107/S0108270199016169

0.71069

MoKα

null

0.052

null

0.063

null

1.98

null

has coordinates

Lu, Weimin; Wu, Bin; Wang, Lina; Lu, Yueqing Aquatris(1,10-phenanthroline)(trans-2,3-dimethylacrylato)ytterbium(III) Acta Crystallographica Section C 56(3) (2000) 316-318

301,798

2025-08-19

6:41:46

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2,010,695

17.0016

0.001

10.654

0.001

15.9038

0.001

90

null

90

null

90

null

2,880.7

0.4

296

2

296

2

null

5

P n a 21

P 2c -2n

33

3,5-Diamino-6-(2-fluorophenyl)-1,2,4-triazine dimethylformamide

- C12 H15 F N6 O -

- C96 H120 F8 N48 O8 -

8

2

BM1376

Janes, Robert W.

3,5-Diamino-6-(2-fluorophenyl)-1,2,4-triazine–dimethylformamide (1/1)

Acta Crystallographica Section C

2,000

56

3

362

364

10.1107/S0108270199015607

1.54178

CuKα

0.0824

0.0525

null

0.1665

null

1.129

null

has coordinates,has disorder,has Fobs

Janes, Robert W. 3,5-Diamino-6-(2-fluorophenyl)-1,2,4-triazine–dimethylformamide (1/1) Acta Crystallographica Section C 56(3) (2000) 362-364

301,798

2025-08-19

6:41:46

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2,010,696

8.5144

0.0001

22.79

0.0003

29.9046

0.0003

90

null

96.6

0.001

90

null

5,764.33

0.12

298

2

298

2

null

5

C 1 2/c 1

-C 2yc

15

N,N'-bis-(2-tosylaminobenzylidene)-1,2-ethanediamine

- C30 H30 N4 O4 S2 -

- C240 H240 N32 O32 S16 -

8

1

BM1378

Mahía, José; Maestro, Miguel A.; Vázquez, Miguel; Bermejo, Manuel R.; González, Ana M.; Maneiro, Marcelino

N,N'-Bis(2-tosylaminobenzylidene)-1,2-ethanediamine

Acta Crystallographica Section C

2,000

56

3

347

348

10.1107/S010827019901519X

0.71073

MoKα

0.105

0.054

null

0.127

null

1.041

null

has coordinates,has Fobs

Mahía, José; Maestro, Miguel A.; Vázquez, Miguel; Bermejo, Manuel R.; González, Ana M.; Maneiro, Marcelino N,N'-Bis(2-tosylaminobenzylidene)-1,2-ethanediamine Acta Crystallographica Section C 56(3) (2000) 347-348

301,798

2025-08-19

6:41:46

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2,010,697

6.2209

0.0006

11.9726

0.0013

15.0705

0.0012

90

null

90

null

90

null

1,122.46

0.19

294

1

294

1

null

4

P 21 21 21

P 2ac 2ab

19

(2S/3R)-3-hydroxy-2-(1-oxoisoindolin-2-yl)butanoic acid

- C12 H13 N O4 -

- C48 H52 N4 O16 -

4

1

BM1380

Gallagher, John F.; Brady, Fiona; Murphy, Carol

Intermolecular interactions in the chiral and racemic forms of 3-hydroxy-2-(1-oxoisoindolin-2-yl)butanoic acid derived from threonine

Acta Crystallographica Section C

2,000

56

3

365

368

10.1107/S0108270199015619

0.7107

MoKα

0.073

0.04

null

0.096

null

1.007

null

has coordinates,has Fobs

Gallagher, John F.; Brady, Fiona; Murphy, Carol Intermolecular interactions in the chiral and racemic forms of 3-hydroxy-2-(1-oxoisoindolin-2-yl)butanoic acid derived from threonine Acta Crystallographica Section C 56(3) (2000) 365-368

301,798

2025-08-19

6:41:46

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2,010,698

5.9772

0.0007

14.3906

0.0012

13.4926

0.0016

90

null

93.131

0.007

90

null

1,158.8

0.2

294

1

294

1

null

4

P 1 21/n 1

-P 2yn

14

(2R/2S)-3-hydroxy-2-(1-oxoisoindolin-2-yl)butanoic acid

- C12 H13 N O4 -

- C48 H52 N4 O16 -

4

1

BM1380

Gallagher, John F.; Brady, Fiona; Murphy, Carol

Intermolecular interactions in the chiral and racemic forms of 3-hydroxy-2-(1-oxoisoindolin-2-yl)butanoic acid derived from threonine

Acta Crystallographica Section C

2,000

56

3

365

368

10.1107/S0108270199015619

0.7107

MoKα

0.051

0.034

null

0.086

null

1.045

null

has coordinates,has Fobs

Gallagher, John F.; Brady, Fiona; Murphy, Carol Intermolecular interactions in the chiral and racemic forms of 3-hydroxy-2-(1-oxoisoindolin-2-yl)butanoic acid derived from threonine Acta Crystallographica Section C 56(3) (2000) 365-368

301,798

2025-08-19

6:41:46

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2,010,699

13.408

0.007

13.277

0.004

13.577

0.006

90

null

103.07

0.04

90

null

2,354.3

1.8

293

2

293

2

null

4

P 1 21/n 1

-P 2yn

14

N-[2-(isopropylamino)-5-nitrophenyl]acetamide

- C11 H15 N3 O3 -

- C88 H120 N24 O24 -

8

2

BM1387

Clark, Ronald D.; Romero, Angela; Borbulevych, Oleg Ya.; Antipin, Mikhail Yu.; Nesterov, Vladimir N.; Timofeeva, Tatiana V.

2-Amino derivatives of 5-nitrophenylacetamide

Acta Crystallographica Section C

2,000

56

3

336

338

10.1107/S0108270199014985

0.71073

MoKα

0.094

0.049

null

0.149

null

0.11

null

1.032

null

1.073

null

has coordinates,has Fobs

Clark, Ronald D.; Romero, Angela; Borbulevych, Oleg Ya.; Antipin, Mikhail Yu.; Nesterov, Vladimir N.; Timofeeva, Tatiana V. 2-Amino derivatives of 5-nitrophenylacetamide Acta Crystallographica Section C 56(3) (2000) 336-338

301,798

2025-08-19

6:41:46

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2,010,700

4.874

0.002

11.002

0.005

12.335

0.007

76.14

null

82.27

null

86.99

null

636.2

0.5

193

2

293

2

null

4

P -1

-P 1

2

N-[2-(butylamino)-5-nitrophenyl]acetamide

- C12 H17 N3 O3 -

- C24 H34 N6 O6 -

2

1

BM1387

Clark, Ronald D.; Romero, Angela; Borbulevych, Oleg Ya.; Antipin, Mikhail Yu.; Nesterov, Vladimir N.; Timofeeva, Tatiana V.

2-Amino derivatives of 5-nitrophenylacetamide

Acta Crystallographica Section C

2,000

56

3

336

338

10.1107/S0108270199014985

0.71073

MoKα

0.171

0.068

null

0.271

null

0.141

null

1.014

null

1.103

null

has coordinates

Clark, Ronald D.; Romero, Angela; Borbulevych, Oleg Ya.; Antipin, Mikhail Yu.; Nesterov, Vladimir N.; Timofeeva, Tatiana V. 2-Amino derivatives of 5-nitrophenylacetamide Acta Crystallographica Section C 56(3) (2000) 336-338

301,798

2025-08-19

6:41:46

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2,010,701

4.786

0.001

13.03

0.003

8.727

0.002

90

null

94.38

0.03

90

null

542.6

0.2

293

2

293

2

null

4

P 1 21 1

P 2yb

4

N-[2-(dimethylamino)-5-nitrophenyl]acetamide

- C10 H13 N3 O3 -

- C20 H26 N6 O6 -

2

1

BM1387

Clark, Ronald D.; Romero, Angela; Borbulevych, Oleg Ya.; Antipin, Mikhail Yu.; Nesterov, Vladimir N.; Timofeeva, Tatiana V.

2-Amino derivatives of 5-nitrophenylacetamide

Acta Crystallographica Section C

2,000

56

3

336

338

10.1107/S0108270199014985

0.71073

MoKα

0.052

0.034

null

0.11

null

0.085

null

1.041

null

1.061

null

has coordinates

Clark, Ronald D.; Romero, Angela; Borbulevych, Oleg Ya.; Antipin, Mikhail Yu.; Nesterov, Vladimir N.; Timofeeva, Tatiana V. 2-Amino derivatives of 5-nitrophenylacetamide Acta Crystallographica Section C 56(3) (2000) 336-338

301,798

2025-08-19

6:41:46

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/07/2010701.cif $ #-------------------------------------------------------------------...

2,010,702

14.1107

0.0002

15.5953

0.0002

16.6469

0.0002

90

null

90

null

90

null

3,663.33

0.08

150

2

150

2

null

6

P 21 21 21

P 2ac 2ab

19

Bis-[N,N'-{2,4,6-trimethylphenyl}-1,2-ethanediylidenediamine]copper(I) tetrafluoroborate

- C40 H48 B Cu F4 N4 -

- C160 H192 B4 Cu4 F16 N16 -

4

1

BM1389

Caroline L. Foster; Colin A. Kilner; Mark Thornton-Pett; Malcolm A. Halcrow

Bis[N,N'-bis(2,4,6-trimethylphenyl)-1,2-ethanediylidenediamine]copper(I) tetrafluoroborate

Acta Crystallographica Section C

2,000

56

3

319

320

10.1107/S0108270199015863

0.71073

MoKα

0.0317

0.029

null

0.0732

null

1.013

null

has coordinates,has disorder,has Fobs

Caroline L. Foster; Colin A. Kilner; Mark Thornton-Pett; Malcolm A. Halcrow Bis[N,N'-bis(2,4,6-trimethylphenyl)-1,2-ethanediylidenediamine]copper(I) tetrafluoroborate Acta Crystallographica Section C 56(3) (2000) 319-320

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/07/2010702.cif $ #-------------------------------------------------------------------...

2,010,703

17.806

0.002

9.2562

0.0006

9.9337

0.0013

90

null

105.955

0.006

90

null

1,574.2

0.3

293

2

293

2

null

3

P 1 21/c 1

-P 2ybc

14

tetratintetracosamolybdenumoctatriacontaoxide

- Mo24 O38 Sn4.4 -

- Mo24 O38 Sn4.402 -

- Mo48 O76 Sn8.804 -

2

0.5

BR1252

Barrier, N.; Tortelier, J.; Gougeon, P.

Sn~4.4~Mo~24~O~38~

Acta Crystallographica Section C

2,000

56

3

269

271

10.1107/S0108270199015127

0.71073

MoKα

0.045

0.032

null

0.077

null

1.252

null

has coordinates,has Fobs

Barrier, N.; Tortelier, J.; Gougeon, P. Sn~4.4~Mo~24~O~38~ Acta Crystallographica Section C 56(3) (2000) 269-271

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/07/2010703.cif $ #-------------------------------------------------------------------...

2,010,704

3.8274

0.0006

7.1591

0.0011

8.7756

0.0013

87.595

0.002

82.735

0.002

75.639

0.002

231.06

0.06

299

2

299

2

null

5

P -1

-P 1

2

- Cd Cl4 Cu H8 O4 -

1

0.5

BR1267

Kortz, Ulrich; Dickman, Michael H.

Cadmium copper tetrachloride tetrahydrate

Acta Crystallographica Section C

2,000

56

3

265

266

10.1107/S0108270199013712

0.71073

MoKα

0.029

0.027

null

0.071

null

1.074

null

has coordinates,has Fobs

Kortz, Ulrich; Dickman, Michael H. Cadmium copper tetrachloride tetrahydrate Acta Crystallographica Section C 56(3) (2000) 265-266

176,435

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/07/2010704.cif $ #-------------------------------------------------------------------...

2,010,705

8.73

0.002

10.189

0.002

7.147

0.001

90

null

100.02

0.03

90

null

626

0.2

293

2

293

2

null

5

P 1 21/c 1

-P 2ybc

14

manganese(II) nicotinate

Poly[trans-diaquamanganese(II)-μ-(3-pyridinecarboxylato-N:O)-μ-(3-pyridine- carboxylato-O:N)]

- C12 H12 Mn N2 O6 -

- C24 H24 Mn2 N4 O12 -

2

0.5

BR1271

Hao, Xiang; Wei, Yong-Ge; Liu, Qun; Zhang, Shi-Wei

Poly[trans-diaquamanganese(II)-μ-(3-pyridinecarboxylato-N:O)-μ-(3-pyridinecarboxylato-O:N)]

Acta Crystallographica Section C

2,000

56

3

296

298

10.1107/S0108270199015358

0.71069

MoKα

0.0509

0.0384

null

0.1079

null

1.065

null

has coordinates,has Fobs

Hao, Xiang; Wei, Yong-Ge; Liu, Qun; Zhang, Shi-Wei Poly[trans-diaquamanganese(II)-μ-(3-pyridinecarboxylato-N:O)-μ-(3-pyridinecarboxylato-O:N)] Acta Crystallographica Section C 56(3) (2000) 296-298

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/07/2010705.cif $ #-------------------------------------------------------------------...

2,010,706

9.423

0.001

9.423

0.001

36.945

0.008

90

null

90

null

120

null

2,841

0.7

298

null

298

null

5

R -3 c :H

-R 3 2"c

167

- Ba3 H6 O24 P6 V2 -

- Ba18 H36 O144 P36 V12 -

6

0.166667

BR1277

Harrison, William T. A.; Buttery, Jarrod H.

Barium vanadium(III) hydrogen phosphate, Ba~3~V~2~(HPO~4~)~6~

Acta Crystallographica Section C

2,000

56

3

274

275

10.1107/S0108270199015735

0.71073

MoKα

null

0.047

null

0.049

null

1.06

null

has coordinates

Harrison, William T. A.; Buttery, Jarrod H. Barium vanadium(III) hydrogen phosphate, Ba~3~V~2~(HPO~4~)~6~ Acta Crystallographica Section C 56(3) (2000) 274-275

176,435

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/07/2010706.cif $ #-------------------------------------------------------------------...

2,010,707

12.2522

0.0009

13.8727

0.001

22.2931

0.0016

79.743

0.001

80.829

0.001

64.077

0.001

3,339.2

0.4

173

2

173

2

null

8

P -1

-P 1

2

- C70 H22 Al B2 Cl F40 Li2 N2 -

- C140 H44 Al2 B4 Cl2 F80 Li4 N4 -

2

1

DA1092

Guzei, Ilia A.; Radzewich, Catherine E.; Jordan, Richard F.

Halocarbon and arene coordination of lithium(I) in (1-anilino-3-phenyliminopropenyl)chloro(methyl)aluminium bis{[tetrakis(pentafluorophenyl)borato]lithium} benzene solvate

Acta Crystallographica Section C

2,000

56

3

279

281

10.1107/S0108270199012135

0.71073

MoKα

0.089

0.043

null

0.094

null

0.933

null

has coordinates

Guzei, Ilia A.; Radzewich, Catherine E.; Jordan, Richard F. Halocarbon and arene coordination of lithium(I) in (1-anilino-3-phenyliminopropenyl)chloro(methyl)aluminium bis{[tetrakis(pentafluorophenyl)borato]lithium} benzene solvate Acta Crystallographica Section C 56(3) (2000) 279-281

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/07/2010707.cif $ #-------------------------------------------------------------------...

2,010,708

6.3714

0.0009

10.56

0.002

11.61

0.003

90

null

98.616

0.014

90

null

772.3

0.3

293

2

293

2

null

3

P 1 21/c 1

-P 2ybc

14

7-Oxobicyclo[2.2.1]heptane-1-carboxylic acid

- C8 H10 O3 -

- C32 H40 O12 -

4

1

FG1572

Wong, Jesse K.; Macalintal, Rose Ann R.; Brunskill, Andrew P. J.; Lalancette, Roger A.; Thompson, Hugh W.

7-Oxobicyclo[2.2.1]heptane-1-carboxylic acid and (±)-7-oxobicyclo[2.2.1]hept-5-ene-2-endo-carboxylic acid: hydrogen bonding in two norbornyl keto acids

Acta Crystallographica Section C

2,000

56

3

371

373

10.1107/S0108270199015747

0.71073

MoKα

0.074

0.047

null

0.117

null

1.05

null

has coordinates,has Fobs

Wong, Jesse K.; Macalintal, Rose Ann R.; Brunskill, Andrew P. J.; Lalancette, Roger A.; Thompson, Hugh W. 7-Oxobicyclo[2.2.1]heptane-1-carboxylic acid and (±)-7-oxobicyclo[2.2.1]hept-5-ene-2-endo-carboxylic acid: hydrogen bonding in two norbornyl keto acids Acta Crystallographica Section C 56(3) (2000) 371-373

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/07/2010708.cif $ #-------------------------------------------------------------------...

2,010,709

6.0039

0.0009

10.5565

0.0014

22.151

0.002

90

null

90

null

90

null

1,403.9

0.3

293

2

293

2

null

3

P b c a

-P 2ac 2ab

61

(±)-7-oxobicyclo[2.2.1]hept-5-ene-2-endo-carboxylic acid

- C8 H8 O3 -

- C64 H64 O24 -

8

1

FG1572

Wong, Jesse K.; Macalintal, Rose Ann R.; Brunskill, Andrew P. J.; Lalancette, Roger A.; Thompson, Hugh W.

7-Oxobicyclo[2.2.1]heptane-1-carboxylic acid and (±)-7-oxobicyclo[2.2.1]hept-5-ene-2-endo-carboxylic acid: hydrogen bonding in two norbornyl keto acids

Acta Crystallographica Section C

2,000

56

3

371

373

10.1107/S0108270199015747

0.71073

MoKα

0.082

0.048

null

0.136

null

1.03

null

has coordinates,has Fobs

Wong, Jesse K.; Macalintal, Rose Ann R.; Brunskill, Andrew P. J.; Lalancette, Roger A.; Thompson, Hugh W. 7-Oxobicyclo[2.2.1]heptane-1-carboxylic acid and (±)-7-oxobicyclo[2.2.1]hept-5-ene-2-endo-carboxylic acid: hydrogen bonding in two norbornyl keto acids Acta Crystallographica Section C 56(3) (2000) 371-373

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/07/2010709.cif $ #-------------------------------------------------------------------...

2,010,710

6.326

0.0003

31.465

0.002

7.668

0.0004

90.264

0.001

95.891

0.001

90.154

0.001

1,518.21

0.14

173

2

null

5

P 1

1

4-Chloroacetophenone [1-(4-methoxyphenyl)ethylidene]hydrazone

- C17 H17 Cl N2 O -

- C17 H16.25 Cl N2 O -

- C68 H65 Cl4 N8 O4 -

4

FR1211

Lewis, Michael; Barnes, Charles L.; Glaser, Rainer

4-Chloroacetophenone [1-(4-methoxyphenyl)ethylidene]hydrazone

Acta Crystallographica Section C

2,000

56

3

393

396

10.1107/S0108270199011737

0.71073

MoKα

null

0.05

null

0.13

null

1.108

null

has coordinates

Lewis, Michael; Barnes, Charles L.; Glaser, Rainer 4-Chloroacetophenone [1-(4-methoxyphenyl)ethylidene]hydrazone Acta Crystallographica Section C 56(3) (2000) 393-396

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/07/2010710.cif $ #-------------------------------------------------------------------...

2,010,711

18.055

0.006

14.661

0.005

17.598

0.006

90

null

116.12

0.05

90

null

4,183

3

293

2

293

2

null

6

P 1 21/c 1

-P 2ybc

14

[Trans-(2-methylthiobenzoato)phenylbis(triphenylphosphine)palladium(II)]

- C50 H42 O2 P2 Pd S -

- C200 H168 O8 P8 Pd4 S4 -

4

1

FR1231

Kruger, Gert J.; Thompson, Catharine; Meyer, Wolfgang H.; Brüll, Robert; Raubenheimer, Helgard G.

trans-(2-Methylthiobenzoato-O)phenylbis(triphenylphosphine)palladium(II), two conformational isomers

Acta Crystallographica Section C

2,000

56

3

329

331

10.1107/S0108270199015449

0.71073

MoKα

0.085

0.044

null

0.093

null

0.999

null

has coordinates,has Fobs

Kruger, Gert J.; Thompson, Catharine; Meyer, Wolfgang H.; Brüll, Robert; Raubenheimer, Helgard G. trans-(2-Methylthiobenzoato-O)phenylbis(triphenylphosphine)palladium(II), two conformational isomers Acta Crystallographica Section C 56(3) (2000) 329-331

176,435

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/07/2010711.cif $ #-------------------------------------------------------------------...

2,010,712

12.5741

0.0006

20.5817

0.0009

16.0672

0.0008

90

null

99.186

0.001

90

null

4,104.8

0.3

293

2

293

2

null

6

P 1 21/c 1

-P 2ybc

14

[Trans-(2-methylthiobenzoato)phenylbis(triphenylphosphine)palladium(II)]

- C50 H42 O2 P2 Pd S -

- C200 H168 O8 P8 Pd4 S4 -

4

1

FR1231

Kruger, Gert J.; Thompson, Catharine; Meyer, Wolfgang H.; Brüll, Robert; Raubenheimer, Helgard G.

trans-(2-Methylthiobenzoato-O)phenylbis(triphenylphosphine)palladium(II), two conformational isomers

Acta Crystallographica Section C

2,000

56

3

329

331

10.1107/S0108270199015449

0.71073

MoKα

0.061

0.044

null

0.108

null

1.042

null

has coordinates,has Fobs

Kruger, Gert J.; Thompson, Catharine; Meyer, Wolfgang H.; Brüll, Robert; Raubenheimer, Helgard G. trans-(2-Methylthiobenzoato-O)phenylbis(triphenylphosphine)palladium(II), two conformational isomers Acta Crystallographica Section C 56(3) (2000) 329-331

176,435

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/07/2010712.cif $ #-------------------------------------------------------------------...

2,010,713

9.8574

0.0006

10.9503

0.0006

16.5057

0.001

100.142

0.001

95.803

0.001

96.244

0.001

1,730.19

0.18

293

2

293

2

null

6

P -1

-P 1

2

[(2-isopropylthio)benzoato-O,S]phenyl(triphenylphosphine)palladium(II) tetrahydrofuran solvate

- C38 H39 O3 P Pd S -

- C37.996 H38.992 O2.999 P Pd S -

- C75.992 H77.984 O5.998 P2 Pd2 S2 -

2

1

FR1232

Thompson, Catharine; Kruger, Gert J.; Meyer, Wolfgang H.; Brüll, Robert; Raubenheimer, Helgard G.

[2-(Isopropylthio)benzoato-O,S]phenyl(triphenylphosphine)palladium(II) tetrahydrofuran solvate

Acta Crystallographica Section C

2,000

56

3

332

333

10.1107/S0108270199016480

0.71073

MoKα

0.048

0.041

null

0.097

null

1.103

null

has coordinates,has disorder,has Fobs

Thompson, Catharine; Kruger, Gert J.; Meyer, Wolfgang H.; Brüll, Robert; Raubenheimer, Helgard G. [2-(Isopropylthio)benzoato-O,S]phenyl(triphenylphosphine)palladium(II) tetrahydrofuran solvate Acta Crystallographica Section C 56(3) (2000) 332-333

176,435

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/07/2010713.cif $ #-------------------------------------------------------------------...

2,010,714

10.405

0.002

11.524

0.002

9.177

0.002

113.44

0.01

113.94

0.02

93.94

0.02

887.3

0.4

296.2

null

296.2

null

4

P -1

-P 1

2

- C24 H19 N O -

- C48 H38 N2 O2 -

2

1

FR1233

Trujillo, Hernando A.; Simon, Wendy M.; Pelkey, Erin T.; Gribble, Gordon W.; Jasinski, Jerry P.

A novel class of fused heterocycles, benzo[b]furo[2,3-c]pyrroles

Acta Crystallographica Section C

2,000

56

3

386

388

10.1107/S0108270199016492

0.7107

MoKα

0.22

0.049

null

0.207

null

0.225

null

1.03

null

1.03

null

has coordinates

Trujillo, Hernando A.; Simon, Wendy M.; Pelkey, Erin T.; Gribble, Gordon W.; Jasinski, Jerry P. A novel class of fused heterocycles, benzo[b]furo[2,3-c]pyrroles Acta Crystallographica Section C 56(3) (2000) 386-388

301,798

2025-08-19

6:41:46

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/07/2010714.cif $ #-------------------------------------------------------------------...

2,010,715

9.956

0.001

11.329

0.002

8.939

0.002

109.89

0.01

107.06

0.01

69.47

0.01

870.4

0.3

296.2

null

296.2

null

4

P -1

-P 1

2

- C24 H19 N O -

- C48 H38 N2 O2 -

2

1

FR1233

Trujillo, Hernando A.; Simon, Wendy M.; Pelkey, Erin T.; Gribble, Gordon W.; Jasinski, Jerry P.

A novel class of fused heterocycles, benzo[b]furo[2,3-c]pyrroles

Acta Crystallographica Section C

2,000

56

3

386

388

10.1107/S0108270199016492

0.7107

MoKα

0.172

0.045

null

0.15

null

0.197

null

1.04

null

1.04

null

has coordinates

Trujillo, Hernando A.; Simon, Wendy M.; Pelkey, Erin T.; Gribble, Gordon W.; Jasinski, Jerry P. A novel class of fused heterocycles, benzo[b]furo[2,3-c]pyrroles Acta Crystallographica Section C 56(3) (2000) 386-388

301,798

2025-08-19

6:41:46

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/07/2010715.cif $ #-------------------------------------------------------------------...

2,010,716

6.5848

0.0015

9.991

0.004

19.688

0.006

90

null

93.31

0.03

90

null

1,293.1

0.7

170

2

170

2

null

5

P 1 21/c 1

-P 2ybc

14

(N-Maleoylglycinate)trimethyltin(IV)

- C9 H13 N O4 Sn -

- C36 H52 N4 O16 Sn4 -

4

1

FR1244

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

(N-Maleoylglycinato)trimethyltin(IV)

Acta Crystallographica Section C

2,000

56

3

327

328

10.1107/S0108270199016510

0.71069

MoKα

0.0689

0.041

null

0.147

null

1.202

null

has coordinates

Parvez, Masood; Bhatti, Moazzam Hussain; Ali, Saqib; Mazhar, Muhammad; Qureshi, Sajid Iqbal (N-Maleoylglycinato)trimethyltin(IV) Acta Crystallographica Section C 56(3) (2000) 327-328

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/07/2010716.cif $ #-------------------------------------------------------------------...

2,010,717

9.3933

0.0007

9.3963

0.0007

30.329

0.002

90

null

90

null

90

null

2,676.9

0.3

193

2

193

2

null

3

P 21 21 21

P 2ac 2ab

19

- C14 H20 O4 -

- C112 H160 O32 -

8

2

FR1250

Guzei, Ilia A.; Wang, Xuemei; Kraus, George A.

An angularly fused three-ring precursor to phytuberin

Acta Crystallographica Section C

2,000

56

3

389

390

10.1107/S0108270199016522

0.71073

MoKα

0.0575

0.038

null

0.079

null

1.048

null

has coordinates,has Fobs

Guzei, Ilia A.; Wang, Xuemei; Kraus, George A. An angularly fused three-ring precursor to phytuberin Acta Crystallographica Section C 56(3) (2000) 389-390

301,798

2025-08-19

6:41:46

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/07/2010717.cif $ #-------------------------------------------------------------------...

2,010,718

11.016

0.0012

23.084

0.003

9.9323

0.0012

90

null

98.977

0.009

90

null

2,494.8

0.5

173

null

173

2

null

4

P 1 21/c 1

-P 2ybc

14

N-ethyl, aza,tribenzo-21-crown-7

- C28 H33 N O6 -

- C112 H132 N4 O24 -

4

1

FR1254

Bryan, Jeffrey C.; Lavis, Jerôme M.; Hay, Benjamin P.; Sachleben, Richard A.

N-Ethylazatribenzo-21-crown-7

Acta Crystallographica Section C

2,000

56

3

391

392

10.1107/S0108270199016534

0.71073

MoKα

0.066

0.04

null

0.11

null

1.03

null

has coordinates

Bryan, Jeffrey C.; Lavis, Jerôme M.; Hay, Benjamin P.; Sachleben, Richard A. N-Ethylazatribenzo-21-crown-7 Acta Crystallographica Section C 56(3) (2000) 391-392

301,798

2025-08-19

6:41:46

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/07/2010718.cif $ #-------------------------------------------------------------------...

2,010,719

19.178

0.004

10.988

0.003

28.728

0.007

90

null

101.75

0.02

90

null

5,927

3

85

null

85

null

6

P 1 21/c 1

-P 2ybc

14

1-(2,3,4,5,1',2',3',4'-octamethylferrocenium-1-yl)- 3-(ruthenocenyl)allylium bis-tetrafluoroborate

- C31 H37 B2 F8 Fe Ru -

- C248 H296 B16 F64 Fe8 Ru8 -

8

2

GD1066

Barlow, Stephen; Day, Michael W.; Marder, Seth R.

The one-electron oxidation product of a metallocenyl-terminated cyanine

Acta Crystallographica Section C

2,000

56

3

303

304

10.1107/S0108270199015462

0.71073

MoKα

0.0858

0.0515

null

0.0951

null

1.751

null

has coordinates,has Fobs

Barlow, Stephen; Day, Michael W.; Marder, Seth R. The one-electron oxidation product of a metallocenyl-terminated cyanine Acta Crystallographica Section C 56(3) (2000) 303-304

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/07/2010719.cif $ #-------------------------------------------------------------------...

2,010,720

14.622

0.003

10.656

0.004

9.216

0.004

112.72

0.03

91.29

0.03

89.68

0.03

1,324.2

0.9

296.2

null

296.2

null

5

P -1

-P 1

2

- C42 H60 N6 O18 P6 -

1

0.5

GS1058

Marouni, Houda; Rzaigui, Mohamed; Bagieu-Beucher, Muriel

(m-CH~3~C~6~H~4~NH~3~)~6~P~6~O~18~

Acta Crystallographica Section C

2,000

56

3

356

357

10.1107/S0108270199015280

0.7107

MoKα

0.0347

0.035

null

0.05

null

0.05

null

1.28

null

1.28

null

has coordinates

Marouni, Houda; Rzaigui, Mohamed; Bagieu-Beucher, Muriel (m-CH~3~C~6~H~4~NH~3~)~6~P~6~O~18~ Acta Crystallographica Section C 56(3) (2000) 356-357

301,798

2025-08-19

6:41:46

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/07/2010720.cif $ #-------------------------------------------------------------------...

2,010,721

12.18

0.001

12.18

0.001

12.18

0.001

90

null

90

null

90

null

1,806.9

0.3

160

2

160

2

null

6

P n -3 m :2

-P 4bc 2bc 3

224

hexaammonium tetra-μ~3~-selenido-tetrakis[tricyanomolybdenum] hexahydrate

- C12 H36 Mo4 N18 O6 Se4 -

- C24 H72 Mo8 N36 O12 Se8 -

2

0.041667

GS1060

Virovets, Alexander V.; Fedin, Vladimir P.; Samsonenko, Denis G.; Clegg, William

A new cluster complex, (NH~4~)~6~[Mo~4~Se~4~(CN)~12~]·6H~2~O, containing a tetranuclear mixed-valence molybdenum core

Acta Crystallographica Section C

2,000

56

3

272

273

10.1107/S0108270199015644

0.71073

MoKα

0.08

0.068

null

0.184

null

1.48

null

has coordinates,has Fobs

Virovets, Alexander V.; Fedin, Vladimir P.; Samsonenko, Denis G.; Clegg, William A new cluster complex, (NH~4~)~6~[Mo~4~Se~4~(CN)~12~]·6H~2~O, containing a tetranuclear mixed-valence molybdenum core Acta Crystallographica Section C 56(3) (2000) 272-273

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/07/2010721.cif $ #-------------------------------------------------------------------...

2,010,722

8.869

0.002

9.836

0.002

12.225

0.006

90

null

91.4

0.03

90

null

1,066.1

0.6

293

2

293

2

null

3

P 1 21 1

P 2yb

4

(1S,4R,5R,6R)-(6-(methoxycarbonyl)-2-(pivaloyloxymethyl)-4- (pivaloyloxy)bicyclo[3.1.0]hex-2-en-1-yl)-1-carboxylic acid

- C20 H28 O8 -

- C40 H56 O16 -

2

1

GS1062

Chiaroni, Angèle; Riche, Claude; Cachet, Xavier; Deguin, Brigitte; Koch, Michel; Tillequin, François

(1S,4R,5R,6R)-6-Methoxycarbonyl-4-pivaloyloxy-2-(pivaloyloxymethyl)bicyclo[3.1.0]hex-2-ene-1-carboxylic acid

Acta Crystallographica Section C

2,000

56

3

358

359

10.1107/S0108270199015309

1.5418

CuKα

0.0428

0.0398

null

0.1104

null

0.1075

null

1.055

null

1.055

null

has coordinates

Chiaroni, Angèle; Riche, Claude; Cachet, Xavier; Deguin, Brigitte; Koch, Michel; Tillequin, François (1S,4R,5R,6R)-6-Methoxycarbonyl-4-pivaloyloxy-2-(pivaloyloxymethyl)bicyclo[3.1.0]hex-2-ene-1-carboxylic acid Acta Crystallographica Section C 56(3) (2000) 358-359

301,798

2025-08-19

6:41:46

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/07/2010722.cif $ #-------------------------------------------------------------------...

2,010,723

13.394

0.003

7.598

0.0009

5.066

0.002

90

null

127.23

0.02

90

null

410.5

0.2

293

2

293

2

null

2

C 1 2/m 1

-C 2y

12

Iron-Zinc (1:13) alloy

- Fe Zn13 -

- Fe2 Zn26 -

2

0.25

GS1065

Belin, Renaud; Tillard, Monique; Monconduit, Laure

Redetermination of the iron‒zinc phase FeZn~13~

Acta Crystallographica Section C

2,000

56

3

267

268

10.1107/S0108270199014997

0.71069

MoKα

0.0751

0.0417

null

0.1092

null

1.025

null

has coordinates,has Fobs

Belin, Renaud; Tillard, Monique; Monconduit, Laure Redetermination of the iron‒zinc phase FeZn~13~ Acta Crystallographica Section C 56(3) (2000) 267-268

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/07/2010723.cif $ #-------------------------------------------------------------------...

2,010,724

20.376

0.001

13.0504

0.0008

15.887

0.0009

90

null

110.491

0.001

90

null

3,957.3

0.4

120

null

120

null

5

P 1 21/c 1

-P 2ybc

14

bpbpH5(Cl2)(ClO4)2

- C36 H44.264 Cl4 N6 O9.132 -

- C144 H177.056 Cl16 N24 O36.528 -

4

1

GS1067

Gomes, Jonnes Taylor; Hazell, Alan; McKenzie, Christine J.

2,6-Bis[bis(2-pyridiniomethyl)aminomethyl]-4-tert-butylphenol dichloride diperchlorate hydrate

Acta Crystallographica Section C

2,000

56

3

382

383

10.1107/S0108270199016315

0.71073

MoKα

null

0.033

null

0.037

null

1.078

null

has coordinates,has Fobs

Gomes, Jonnes Taylor; Hazell, Alan; McKenzie, Christine J. 2,6-Bis[bis(2-pyridiniomethyl)aminomethyl]-4-tert-butylphenol dichloride diperchlorate hydrate Acta Crystallographica Section C 56(3) (2000) 382-383

301,798

2025-08-19

6:41:46

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/07/2010724.cif $ #-------------------------------------------------------------------...

2,010,725

8.5424

0.0008

18.089

0.002

9.3202

0.0009

90

null

90.898

0.011

90

null

1,440

0.3

160

2

160

2

null

3

P 1 21/c 1

-P 2ybc

14

bis(4-methylphenyl)maleonitrile

cis-α,α'-Dicyan-4,4'-dimethyl-stilben

- C18 H14 N2 -

- C72 H56 N8 -

4

1

GS1070

Faulmann, Christophe; Cassoux, Patrick; Pullen, Anthony E.

A new precursor for the synthesis of porphyrazine: 2,3-bis(4-methylphenyl)maleonitrile

Acta Crystallographica Section C

2,000

56

3

384

385

10.1107/S0108270199016479

0.71073

MoKα

0.0735

0.0375

null

0.0997

null

0.953

null

has coordinates,has Fobs

Faulmann, Christophe; Cassoux, Patrick; Pullen, Anthony E. A new precursor for the synthesis of porphyrazine: 2,3-bis(4-methylphenyl)maleonitrile Acta Crystallographica Section C 56(3) (2000) 384-385

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/07/2010725.cif $ #-------------------------------------------------------------------...

2,010,726

6.374

0.001

10.588

0.002

11.303

0.002

71.35

0.03

78.45

0.03

85.97

0.03

708.1

0.3

293

2

293

2

null

5

P -1

-P 1

2

1,2R,4S,5-tetraammonio-3-amino-pentane tetrachloride - hydrate

- C5 H23 Cl4 N5 O -

- C10 H46 Cl8 N10 O2 -

2

1

JZ1372

Guido J. Reiss; Anja Zimmer; Kaspar Hegetschweiler

Protonation products of pentaaminopentane as novel building blocks for hydrogen-bonded networks

Acta Crystallographica Section C

2,000

56

3

284

288

10.1107/S0108270199015024

0.71073

MoKα

0.035

0.0278

null

0.0751

null

1.02

null

has coordinates

Guido J. Reiss; Anja Zimmer; Kaspar Hegetschweiler Protonation products of pentaaminopentane as novel building blocks for hydrogen-bonded networks Acta Crystallographica Section C 56(3) (2000) 284-288

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/07/2010726.cif $ #-------------------------------------------------------------------...

2,010,727

7.255

0.004

10.893

0.006

12.173

0.006

107.49

0.04

91.52

0.04

96.67

0.04

909.4

0.9

293

2

293

2

null

6

P -1

-P 1

2

1,2R,3,4S,5-pentaammonio-pentane trichloride tetrachlorozinkate - hydrate

- C5 H24 Cl7 N5 O Zn -

- C10 H48 Cl14 N10 O2 Zn2 -

2

1

JZ1372

Guido J. Reiss; Anja Zimmer; Kaspar Hegetschweiler

Protonation products of pentaaminopentane as novel building blocks for hydrogen-bonded networks

Acta Crystallographica Section C

2,000

56

3

284

288

10.1107/S0108270199015024

0.71073

MoKα

0.0273

0.0266

null

0.0717

null

1.06

null

has coordinates

Guido J. Reiss; Anja Zimmer; Kaspar Hegetschweiler Protonation products of pentaaminopentane as novel building blocks for hydrogen-bonded networks Acta Crystallographica Section C 56(3) (2000) 284-288

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/07/2010727.cif $ #-------------------------------------------------------------------...

2,010,728

10.8157

0.0007

21.6466

0.0006

14.354

0.002

90

null

95.114

0.008

90

null

3,347.2

0.5

293

2

293

2

null

6

P 1 21/n 1

-P 2yn

14

2,2'-bipyridine bis{[(4-methylphenyl) sulfonyl]-2-pyridyl-amide}zinc(II)

- C34 H30 N6 O4 S2 Zn -

- C136 H120 N24 O16 S8 Zn4 -

4

1

JZ1373

Cabaleiro, Santiago; Castro, Jesús; Romero, Jaime; García-Vázquez, José A.; Sousa, Antonio

(2,2'-Bipyridine-κ^2^N)bis[N-(2-pyridyl-κN)-p-toluenesulfonamido-κN]zinc(II)

Acta Crystallographica Section C

2,000

56

3

293

295

10.1107/S010827019901536X

1.54184

CuKα

0.0946

0.0443

null

0.1365

null

1.018

null

has coordinates,has Fobs

Cabaleiro, Santiago; Castro, Jesús; Romero, Jaime; García-Vázquez, José A.; Sousa, Antonio (2,2'-Bipyridine-κ^2^N)bis[N-(2-pyridyl-κN)-p-toluenesulfonamido-κN]zinc(II) Acta Crystallographica Section C 56(3) (2000) 293-295

301,798

2025-08-19

6:41:46

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/07/2010728.cif $ #-------------------------------------------------------------------...

2,010,729

9.6111

0.0009

11.5199

0.0012

11.5621

0.0012

84.458

0.001

77.829

0.001

74.138

0.001

1,202.7

0.2

168

2

168

2

null

3

P -1

-P 1

2

4,4-Diphenyl-6-(2,2-diphenyl-1-hydroxyethyl)-2-cyclohexen-1-one

- C32 H28 O2 -

- C64 H56 O4 -

2

1

JZ1380

Kumar, V.S. Senthil; Nangia, Ashwini

6-(1-Hydroxy-2,2-diphenylethyl)-4,4-diphenyl-2-cyclohexen-1-one

Acta Crystallographica Section C

2,000

56

3

360

361

10.1107/S010827019901553X

0.71073

MoKα

0.0495

0.0345

null

0.0929

null

1.051

null

has coordinates,has Fobs

Kumar, V.S. Senthil; Nangia, Ashwini 6-(1-Hydroxy-2,2-diphenylethyl)-4,4-diphenyl-2-cyclohexen-1-one Acta Crystallographica Section C 56(3) (2000) 360-361

301,798

2025-08-19

6:41:46

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/07/2010729.cif $ #-------------------------------------------------------------------...

2,010,730

19.289

0.001

7.074

0.0006

14.575

0.002

90

null

113.448

0.009

90

null

1,824.5

0.3

293

null

4

C 1 2/c 1

-C 2yc

15

- C9 H16 La2 O17 -

- C9 H14 La2 O17.002 -

- C36 H56 La8 O68.008 -

4

0.5

LN1092

Benmerad, Belkacem; Guehria-Laïdoudi, Achoura; Bernardinelli, Gérald; Balegroune, Fadila

Polymeric tetraaquatris(malonato)dilanthanum(III) monohydrate

Acta Crystallographica Section C

2,000

56

3

321

323

10.1107/S0108270199016182

0.71073

MoKα

null

0.022

null

0.028

null

1.162

null

has coordinates,has Fobs

Benmerad, Belkacem; Guehria-Laïdoudi, Achoura; Bernardinelli, Gérald; Balegroune, Fadila Polymeric tetraaquatris(malonato)dilanthanum(III) monohydrate Acta Crystallographica Section C 56(3) (2000) 321-323

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/07/2010730.cif $ #-------------------------------------------------------------------...

2,010,731

15.922

0.002

16.7908

0.0016

16.453

0.004

90

null

90

null

90

null

4,398.6

1.3

288

2

288

2

null

4

P b c n

-P 2n 2ab

60

- C44 H62 N2 O12 -

- C176 H248 N8 O48 -

4

0.5

NA1433

Kim, Jong Seung; Jensen, William P.; Lee, Chang-Hee; Lee, Jin-Ho; Kim, Moon-Jib; Kim, Jin-Gyu; Suh, Il-Hwan

25,27:26,28-Bis(3,9-dioxa-6-azaundecane-1,11-dioxy)calix[4]arene tetrahydrate

Acta Crystallographica Section C

2,000

56

3

379

381

10.1107/S0108270199016327

0.71069

MoKα

0.1239

0.0665

null

0.205

null

0.994

null

has coordinates,has Fobs

Kim, Jong Seung; Jensen, William P.; Lee, Chang-Hee; Lee, Jin-Ho; Kim, Moon-Jib; Kim, Jin-Gyu; Suh, Il-Hwan 25,27:26,28-Bis(3,9-dioxa-6-azaundecane-1,11-dioxy)calix[4]arene tetrahydrate Acta Crystallographica Section C 56(3) (2000) 379-381

301,798

2025-08-19

6:41:46

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/07/2010731.cif $ #-------------------------------------------------------------------...

2,010,732

11.839

0.002

9.108

0.002

21.319

0.004

90

null

90

null

90

null

2,298.8

0.8

293

2

293

2

null

6

P b c n

-P 2n 2ab

60

poly[bis[copper(I)-μ-(4,4'-bipyridyl)-N:N']-μ-dimolybdato-O:O']

- C20 H16 Cu2 Mo2 N4 O7 -

- C80 H64 Cu8 Mo8 N16 O28 -

4

0.5

NA1440

You, Wan-Sheng; Wang, En-Bo; Xu, Lin; Hu, Chang-Wen; Luan, Guo-You

Chains of (4,4'-bipyridyl)copper(I) bridged by dimolybdate units

Acta Crystallographica Section C

2,000

56

3

289

290

10.1107/S0108270199015036

0.71073

MoKα

0.041

0.028

null

0.069

0.066

null

0.899

0.994

null

has coordinates

You, Wan-Sheng; Wang, En-Bo; Xu, Lin; Hu, Chang-Wen; Luan, Guo-You Chains of (4,4'-bipyridyl)copper(I) bridged by dimolybdate units Acta Crystallographica Section C 56(3) (2000) 289-290

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/07/2010732.cif $ #-------------------------------------------------------------------...

2,010,733

13.9828

0.0003

9.6029

0.0002

14.0432

0.0002

90

null

113.764

0.0013

90

null

1,725.78

0.06

293

2

293

2

null

5

C 1 2/c 1

-C 2yc

15

dichlorodiethylbis(pyridine)tin(IV)

- C14 H20 Cl2 N2 Sn -

- C56 H80 Cl8 N8 Sn4 -

4

0.5

NA1442

Casas, José S.; García-Martínez, Emilia; Sánchez-González, Angeles; Sordo, José; Villar, Roberto

Dichlorodiethylbis(pyridine-N)tin(IV)

Acta Crystallographica Section C

2,000

56

3

299

300

10.1107/S0108270199015371

0.71073

MoKα

0.0607

0.0316

null

0.0766

null

0.999

null

has coordinates,has Fobs

Casas, José S.; García-Martínez, Emilia; Sánchez-González, Angeles; Sordo, José; Villar, Roberto Dichlorodiethylbis(pyridine-N)tin(IV) Acta Crystallographica Section C 56(3) (2000) 299-300

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/07/2010733.cif $ #-------------------------------------------------------------------...

2,010,734

7.832

0.0016

25.703

0.005

8.984

0.0018

90

null

111.38

0.03

90

null

1,684.1

0.7

173

2

173

2

null

6

P 1 21/c 1

-P 2ybc

14

cis-dichloro-trans-dimethyl-cis-bis(N-methylpyrrolidin-2-one-O)tin(IV)

- C12 H24 Cl2 N2 O2 Sn -

- C48 H96 Cl8 N8 O8 Sn4 -

4

1

NA1448

König, Uwe-Christoph; Berkei, Michael; Neikes, Frank; Preut, Hans; Mitchell, Terence Nigel

Complexes of dimethyltin dihalides with N-methylpyrrolidinone, C~12~H~24~N~2~O~2~X~2~Sn (X = Cl, Br or I)

Acta Crystallographica Section C

2,000

56

3

324

326

10.1107/S0108270199016388

0.71073

MoKα

0.028

0.02

null

0.05

null

0.984

null

has coordinates,has Fobs

König, Uwe-Christoph; Berkei, Michael; Neikes, Frank; Preut, Hans; Mitchell, Terence Nigel Complexes of dimethyltin dihalides with N-methylpyrrolidinone, C~12~H~24~N~2~O~2~X~2~Sn (X = Cl, Br or I) Acta Crystallographica Section C 56(3) (2000) 324-326

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/07/2010734.cif $ #-------------------------------------------------------------------...

2,010,735

7.475

0.0015

8.03

0.0016

14.977

0.003

90

null

91.98

0.03

90

null

898.4

0.3

173

2

173

2

null

6

P 1 n 1

P -2yac

7

cis-dibromo-trans-dimethyl-cis-bis(N-methylpyrrolidin-2-one-O)tin(IV)

- C12 H24 Br2 N2 O2 Sn -

- C24 H48 Br4 N4 O4 Sn2 -

2

1

NA1448

König, Uwe-Christoph; Berkei, Michael; Neikes, Frank; Preut, Hans; Mitchell, Terence Nigel

Complexes of dimethyltin dihalides with N-methylpyrrolidinone, C~12~H~24~N~2~O~2~X~2~Sn (X = Cl, Br or I)

Acta Crystallographica Section C

2,000

56

3

324

326

10.1107/S0108270199016388

0.71073

MoKα

0.04

0.038

null

0.104

null

1.115

null

has coordinates,has Fobs

König, Uwe-Christoph; Berkei, Michael; Neikes, Frank; Preut, Hans; Mitchell, Terence Nigel Complexes of dimethyltin dihalides with N-methylpyrrolidinone, C~12~H~24~N~2~O~2~X~2~Sn (X = Cl, Br or I) Acta Crystallographica Section C 56(3) (2000) 324-326

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/07/2010735.cif $ #-------------------------------------------------------------------...

2,010,736

7.396

0.001

8.327

0.002

15.406

0.003

90

null

90.31

0.03

90

null

948.8

0.3

173

2

173

2

null

6

P 1 n 1

P -2yac

7

cis-diiodo-trans-dimethyl-cis-bis(N-methylpyrrolidin-2-one-O)tin(IV)

- C12 H24 I2 N2 O2 Sn -

- C24 H48 I4 N4 O4 Sn2 -

2

1

NA1448

König, Uwe-Christoph; Berkei, Michael; Neikes, Frank; Preut, Hans; Mitchell, Terence Nigel

Complexes of dimethyltin dihalides with N-methylpyrrolidinone, C~12~H~24~N~2~O~2~X~2~Sn (X = Cl, Br or I)

Acta Crystallographica Section C

2,000

56

3

324

326

10.1107/S0108270199016388

0.71069

MoKα

0.03

0.024

null

0.043

null

0.946

null

has coordinates,has Fobs

König, Uwe-Christoph; Berkei, Michael; Neikes, Frank; Preut, Hans; Mitchell, Terence Nigel Complexes of dimethyltin dihalides with N-methylpyrrolidinone, C~12~H~24~N~2~O~2~X~2~Sn (X = Cl, Br or I) Acta Crystallographica Section C 56(3) (2000) 324-326

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/07/2010736.cif $ #-------------------------------------------------------------------...

2,010,737

23.802

0.004

8.955

0.001

13.82

0.002

90

null

97.55

0.01

90

null

2,920.2

0.7

298

2

298

2

null

6

C 1 2/c 1

-C 2yc

15

(2,2'-dipyridyl sulfide-N,N')hydroxybis(nitrito-O)(nitrosyl-O)ruthenium(II)

- C10 H9 N5 O6 Ru S -

- C80 H72 N40 O48 Ru8 S8 -

8

1

OS1084

Bruno, Giuseppe; Nicoló, Francesco; Tresoldi, Giuseppe

(2,2'-Dipyridyl sulfide-N,N')hydroxybis(nitrito-O)(nitrogen monoxide-N)ruthenium(III)

Acta Crystallographica Section C

2,000

56

3

282

283

10.1107/S0108270199014687

0.71073

MoKα

0.043

0.028

null

0.064

null

0.879

null

has coordinates,has Fobs

Bruno, Giuseppe; Nicoló, Francesco; Tresoldi, Giuseppe (2,2'-Dipyridyl sulfide-N,N')hydroxybis(nitrito-O)(nitrogen monoxide-N)ruthenium(III) Acta Crystallographica Section C 56(3) (2000) 282-283

301,798

2025-08-19

6:41:46

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/07/2010737.cif $ #-------------------------------------------------------------------...

2,010,738

8.043

0.001

17.482

0.004

15.237

0.003

90

null

102.3

0.01

90

null

2,093.3

0.7

293

2

293

2

null

6

P 1 21/c 1

-P 2ybc

14

trans-Diaqua(C-meso-5,12-dimethyl-1,4,8,11- tetraazacyclotetradecane-N,N',N'',N''')copper(II) dichloride dihydrate

- C12 H36 Cl2 Cu N4 O4 -

- C48 H144 Cl8 Cu4 N16 O16 -

4

1

OS1090

Panneerselvam, Kaliyamoorthy; Lu, Tian-Huey; Chi, Ta-Yung; Tung, Shu-Fang; Chung, Chung-Sun

trans-Diaqua(C-meso-5,12-dimethyl-1,4,8,11-tetraazacyclotetradecane-N,N',N'',N''')copper(II) dichloride dihydrate

Acta Crystallographica Section C

2,000

56

3

301

302

10.1107/S0108270199015474

0.71073

MoKα

0.041

0.028

null

0.076

null

1.016

null

has coordinates,has Fobs

Panneerselvam, Kaliyamoorthy; Lu, Tian-Huey; Chi, Ta-Yung; Tung, Shu-Fang; Chung, Chung-Sun trans-Diaqua(C-meso-5,12-dimethyl-1,4,8,11-tetraazacyclotetradecane-N,N',N'',N''')copper(II) dichloride dihydrate Acta Crystallographica Section C 56(3) (2000) 301-302

301,798

2025-08-19

6:41:46

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/07/2010738.cif $ #-------------------------------------------------------------------...

2,010,739

11.848

0.003

11.015

0.004

12.313

0.004

90

null

109.01

0.03

90

null

1,519.3

0.9

293

2

293

2

null

4

P 1 21/c 1

-P 2ybc

14

4-methyl-1,4-thiazino[2,3-c;6,5-c']diquinoline

- C19 H13 N3 S -

- C76 H52 N12 S4 -

4

1

OS1091

Pluta, Krystian; Suwińska, Kinga

Azinyl sulfides. L. 14-Methyl-1,4-thiazino[2,3-c;6,5-c']diquinoline

Acta Crystallographica Section C

2,000

56

3

374

375

10.1107/S0108270199015759

0.71073

MoKα

0.076

0.042

null

0.138

null

0.109

null

1.032

null

1.14

null

has coordinates

Pluta, Krystian; Suwińska, Kinga Azinyl sulfides. L. 14-Methyl-1,4-thiazino[2,3-c;6,5-c']diquinoline Acta Crystallographica Section C 56(3) (2000) 374-375

301,798

2025-08-19

6:41:46

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/07/2010739.cif $ #-------------------------------------------------------------------...

2,010,740

9.707

0.0005

11.575

0.0006

11.592

0.0007

71.333

0.003

85.678

0.004

73.601

0.003

1,183.58

0.12

293

2

293

2

null

6

P -1

-P 1

2

4,5-bis[(2-hydroxyethyl)thio]-2-{4,5-bis[(2-hydroxyethyl)thio]-1,3-dithiol-2- ylidene}-1,3-dithiole

- C14 H20 B F4 O4 S8 -

- C28 H40 B2 F8 O8 S16 -

2

1

QA0207

Yao, Youxin; Zeng, Wenju; Zhang, Bin; Liu, Yunqi; Zhu, Daoben

2,3,4,5-Tetrakis[(2-hydroxyethyl)thio]tetrathiafulvalene tetrafluoroborate

Acta Crystallographica Section C

2,000

56

3

e90

e91

10.1107/S0108270100001219

0.71073

MoKα

0.06

0.055

null

0.149

null

1.075

null

has coordinates

Yao, Youxin; Zeng, Wenju; Zhang, Bin; Liu, Yunqi; Zhu, Daoben 2,3,4,5-Tetrakis[(2-hydroxyethyl)thio]tetrathiafulvalene tetrafluoroborate Acta Crystallographica Section C 56(3) (2000) e90-e91

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/07/2010740.cif $ #-------------------------------------------------------------------...

2,010,741

7.699

0.002

9.341

0.002

12.934

0.003

77.77

0.03

78.52

0.03

69.09

0.03

841.4

0.4

153

null

153

null

4

P -1

-P 1

2

tetramethylethyliden- bis(cyclopentadienyl)zirconiumbis(tetrahydroborate)'

- C16 H28 B2 Zr -

- C32 H56 B4 Zr2 -

2

1

QA0209

Schaper, Frank; Brintzinger, Hans-Herbert

[{Me~4~C~2~(C~5~H~4~)~2~}Zr(BH~4~)~2~], a bis(tetrahydroborate) complex of a bridged zirconocene

Acta Crystallographica Section C

2,000

56

3

e78

10.1107/S0108270100002250

0.71073

MoKα

0.027

0.023

null

0.058

null

1.037

null

has coordinates,has Fobs

Schaper, Frank; Brintzinger, Hans-Herbert [{Me~4~C~2~(C~5~H~4~)~2~}Zr(BH~4~)~2~], a bis(tetrahydroborate) complex of a bridged zirconocene Acta Crystallographica Section C 56(3) (2000) e78-e78

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/07/2010741.cif $ #-------------------------------------------------------------------...

2,010,742

15.975

0.002

15.773

0.002

17.142

0.002

90

null

100.51

0.01

90

null

4,246.9

0.9

293

null

293

null

2

P 1 21/n 1

-P 2yn

14

2,2'-(9,9-dihexyl)bifluorene

- C50 H66 -

- C200 H264 -

4

1

QA0213

Suchod, Bernadette; Stéphan, Olivier

2,2'-Bi(9,9-dihexylfluorene)

Acta Crystallographica Section C

2,000

56

3

e92

e93

10.1107/S0108270100001499

0.71073

MoKα

0.158

0.1

null

0.043

null

0.039

null

1.267

null

1.511

null

has coordinates

Suchod, Bernadette; Stéphan, Olivier 2,2'-Bi(9,9-dihexylfluorene) Acta Crystallographica Section C 56(3) (2000) e92-e93

301,798

2025-08-19

6:41:46

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/07/2010742.cif $ #-------------------------------------------------------------------...

2,010,743

11.85

0.003

10.913

0.004

17.506

0.002

90

null

107.76

0.01

90

null

2,156

1

298.2

null

298.2

null

5

P 1 21/n 1

-P 2yn

14

sparfloxacin

- C19 H28 F2 N4 O6 -

- C76 H112 F8 N16 O24 -

4

1

QA0214

Sivalakshmidevi, A.; Vyas, K.; Om Reddy, G.

Sparfloxacin, an antibacterial drug

Acta Crystallographica Section C

2,000

56

3

e115

e116

10.1107/S0108270100002523

1.5418

CuKα

0.067

0.059

null

0.111

null

0.108

null

1.909

null

1.987

null

has coordinates,has Fobs

Sivalakshmidevi, A.; Vyas, K.; Om Reddy, G. Sparfloxacin, an antibacterial drug Acta Crystallographica Section C 56(3) (2000) e115-e116

301,798

2025-08-19

6:41:46

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/07/2010743.cif $ #-------------------------------------------------------------------...

2,010,744

6.7837

0.0013

9.0268

0.0011

13.237

0.002

90

null

101.02

0.02

90

null

795.6

0.2

180

2

180

2

null

6

P 1 21/n 1

-P 2yn

14

Pyridinium-dihydrohenmonothiophosphate

- C5 H8 N O3 P S -

- C20 H32 N4 O12 P4 S4 -

4

1

QA0216

Ziemer, Burkhard; Rabis, Annegrit

Pyridinium dihydrogenmonothiophosphate

Acta Crystallographica Section C

2,000

56

3

e94

10.1107/S0108270100001517

0.71073

MoKα

0.037

0.029

null

0.077

null

1.041

null

has coordinates,has Fobs

Ziemer, Burkhard; Rabis, Annegrit Pyridinium dihydrogenmonothiophosphate Acta Crystallographica Section C 56(3) (2000) e94-e94

301,798

2025-08-19

6:41:46

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/07/2010744.cif $ #-------------------------------------------------------------------...

2,010,745

13.26

0.02

6.677

0.007

10.766

0.007

90

null

90

null

90

null

953.2

1.9

295

null

295

null

4

P n a 21

P 2c -2n

33

RTA

- As O5 Rb Ti -

- As8 O40 Rb8 Ti8 -

8

2

QA0218

Nordborg, Jenni; Svensson, Göran; Albertsson, Jörgen

A single-crystal neutron diffraction study of RbTiOAsO~4~

Acta Crystallographica Section C

2,000

56

3

e73

e74

10.1107/S0108270100001505

neutron

1.207

neutron

0.036

0.034

null

0.033

null

0.033

null

1.363

null

1.361

null

has coordinates,has Fobs

Nordborg, Jenni; Svensson, Göran; Albertsson, Jörgen A single-crystal neutron diffraction study of RbTiOAsO~4~ Acta Crystallographica Section C 56(3) (2000) e73-e74

176,435

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/07/2010745.cif $ #-------------------------------------------------------------------...

2,010,746

10.029

0.002

10.029

0.002

10.029

0.002

90

null

90

null

90

null

1,008.7

0.3

173

2

173

2

null

4

F m -3 m

-F 4 2 3

225

- Cl2 H18 N6 Ni -

- Cl8 H72 N24 Ni4 -

4

0.020833

QA0219

Wagner, Matthias; Lerner, Hans-Wolfram; Bolte, Michael

Redetermination of [Ni(NH~3~)~6~]Cl~2~ at 173K

Acta Crystallographica Section C

2,000

56

3

e77

10.1107/S0108270100002262

0.71073

MoKα

0.013

null

0.033

null

1.319

null

has coordinates,has Fobs

Wagner, Matthias; Lerner, Hans-Wolfram; Bolte, Michael Redetermination of [Ni(NH~3~)~6~]Cl~2~ at 173K Acta Crystallographica Section C 56(3) (2000) e77-e77

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/07/2010746.cif $ #-------------------------------------------------------------------...

2,010,747

8.5893

0.0006

10.3543

0.0006

10.9893

0.0006

69.194

0.005

87.122

0.005

66.172

0.005

830.75

0.1

293

null

293

2

null

5

P -1

-P 1

2

- H20 K4 Na2 O38 V10 -

1

0.5

QA0220

Matias, Pedro M.; Pessoa, João C.; Duarte, Maria Teresa; Madeira, Catarina

Tetrapotassium disodium decavanadate(V) decahydrate

Acta Crystallographica Section C

2,000

56

3

e75

e76

10.1107/S0108270100001530

0.71069

MoKα

0.033

0.028

null

0.074

null

1.098

null

has coordinates,has Fobs

Matias, Pedro M.; Pessoa, João C.; Duarte, Maria Teresa; Madeira, Catarina Tetrapotassium disodium decavanadate(V) decahydrate Acta Crystallographica Section C 56(3) (2000) e75-e76

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/07/2010747.cif $ #-------------------------------------------------------------------...

2,010,748

11.2341

0.0017

6.8536

0.0011

13.0566

0.0012

90

null

97.307

0.009

90

null

997.1

0.2

294

1

294

1

null

5

P 1 21/a 1

-P 2yab

14

7,7-Dichloro-1,6-dimethyl-2-oxa-5-thiabicyclo[4.1.0]heptane 5,5-dioxide

- C7 H10 Cl2 O3 S -

- C28 H40 Cl8 O12 S4 -

4

1

QA0222

Brewer, A. David; Ferguson, George; Znotins, Andrew A.

7,7-Dichloro-1,6-dimethyl-2-oxa-5-thiabicyclo[4.1.0]heptane 5,5-dioxide and 6-chloro-2,3-dihydro-7-methyl-5-methylene-2H,3H,5H-1,4-dithiepine 1,1,4,4-tetraoxide

Acta Crystallographica Section C

2,000

56

3

e109

e110

10.1107/S0108270100002286

0.71073

MoKα

0.042

0.029

null

0.075

null

1.063

null

has coordinates,has Fobs

Brewer, A. David; Ferguson, George; Znotins, Andrew A. 7,7-Dichloro-1,6-dimethyl-2-oxa-5-thiabicyclo[4.1.0]heptane 5,5-dioxide and 6-chloro-2,3-dihydro-7-methyl-5-methylene-2H,3H,5H-1,4-dithiepine 1,1,4,4-tetraoxide Acta Crystallographica Section C 56(3) (2000) e109-e110

301,798

2025-08-19

6:41:46

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/07/2010748.cif $ #-------------------------------------------------------------------...

2,010,749

8.0689

0.0008

8.1209

0.001

9.9329

0.0014

92.01

0.011

110.855

0.011

119.21

0.011

513.19

0.14

294

1

294

1

null

5

P -1

-P 1

2

6-chloro-2,3-dihydro-7-methyl-5-methylene-2H,3H,5H-1,4-dithiepine 1,1,4,4-tetraoxide

- C7 H9 Cl O4 S2 -

- C14 H18 Cl2 O8 S4 -

2

1

QA0222

Brewer, A. David; Ferguson, George; Znotins, Andrew A.

7,7-Dichloro-1,6-dimethyl-2-oxa-5-thiabicyclo[4.1.0]heptane 5,5-dioxide and 6-chloro-2,3-dihydro-7-methyl-5-methylene-2H,3H,5H-1,4-dithiepine 1,1,4,4-tetraoxide

Acta Crystallographica Section C

2,000

56

3

e109

e110

10.1107/S0108270100002286

0.71073

MoKα

0.031

0.029

null

0.076

null

1.066

null

has coordinates,has Fobs

Brewer, A. David; Ferguson, George; Znotins, Andrew A. 7,7-Dichloro-1,6-dimethyl-2-oxa-5-thiabicyclo[4.1.0]heptane 5,5-dioxide and 6-chloro-2,3-dihydro-7-methyl-5-methylene-2H,3H,5H-1,4-dithiepine 1,1,4,4-tetraoxide Acta Crystallographica Section C 56(3) (2000) e109-e110

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/07/2010749.cif $ #-------------------------------------------------------------------...

2,010,750

5.245

0.002

16.915

0.002

10.461

0.002

90

null

101.21

0.02

90

null

910.4

0.4

296

null

5

P 1 21/c 1

-P 2ybc

14

trans-diaqua-bis(N-acetylanthranilato-O,O')copper(II)

- C18 H20 Cu N2 O8 -

- C36 H40 Cu2 N4 O16 -

2

0.5

QA0223

Kani, Yoshiyuki; Tsuchimoto, Masanobu; Ohba, Shigeru

trans-Diaquabis(N-acetylanthranilato-O,O')copper(II)

Acta Crystallographica Section C

2,000

56

3

e79

10.1107/S0108270100002274

0.71073

MoKα

null

0.052

null

0.058

null

1.404

null

has coordinates,has Fobs

Kani, Yoshiyuki; Tsuchimoto, Masanobu; Ohba, Shigeru trans-Diaquabis(N-acetylanthranilato-O,O')copper(II) Acta Crystallographica Section C 56(3) (2000) e79-e79

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/07/2010750.cif $ #-------------------------------------------------------------------...

2,010,751

9.633

0.002

10.665

0.001

9.03

0.002

112.28

0.01

110.19

0.02

83.72

0.01

805.5

0.3

297

null

297

null

4

P -1

-P 1

2

- C24 H44 Cu2 O10 -

1

0.5

QA0224

Kani, Yoshiyuki; Tsuchimoto, Masanobu; Ohba, Shigeru; Tokii, Tadashi

catena-Poly[[tetrakis(μ-2,2-dimethylpropionato-O:O')dicopper(II)]-μ-dioxane-O:O'] and catena-poly[[tetrakis(μ-3,3-dimethylbutyrato-O:O')dicopper(II)]-μ-dioxane-O,O']

Acta Crystallographica Section C

2,000

56

3

e80

e81

10.1107/S0108270100002304

0.71073

MoKα

null

0.051

null

0.07

null

1.08

null

has coordinates

Kani, Yoshiyuki; Tsuchimoto, Masanobu; Ohba, Shigeru; Tokii, Tadashi catena-Poly[[tetrakis(μ-2,2-dimethylpropionato-O:O')dicopper(II)]-μ-dioxane-O:O'] and catena-poly[[tetrakis(μ-3,3-dimethylbutyrato-O:O')dicopper(II)]-μ-dioxane-O,O'] Acta Crystallog...

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/07/2010751.cif $ #-------------------------------------------------------------------...

2,010,752

10.08

0.001

11.308

0.002

8.952

0.001

113.3

0.01

108.92

0.01

84.64

0.01

885.8

0.2

298

null

4

P -1

-P 1

2

- C28 H52 Cu2 O10 -

1

0.5

QA0224

Kani, Yoshiyuki; Tsuchimoto, Masanobu; Ohba, Shigeru; Tokii, Tadashi

catena-Poly[[tetrakis(μ-2,2-dimethylpropionato-O:O')dicopper(II)]-μ-dioxane-O:O'] and catena-poly[[tetrakis(μ-3,3-dimethylbutyrato-O:O')dicopper(II)]-μ-dioxane-O,O']

Acta Crystallographica Section C

2,000

56

3

e80

e81

10.1107/S0108270100002304

0.71073

MoKα

null

0.041

null

0.075

null

1.067

null

has coordinates

Kani, Yoshiyuki; Tsuchimoto, Masanobu; Ohba, Shigeru; Tokii, Tadashi catena-Poly[[tetrakis(μ-2,2-dimethylpropionato-O:O')dicopper(II)]-μ-dioxane-O:O'] and catena-poly[[tetrakis(μ-3,3-dimethylbutyrato-O:O')dicopper(II)]-μ-dioxane-O,O'] Acta Crystallog...

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/07/2010752.cif $ #-------------------------------------------------------------------...

2,010,753

6.4262

0.0003

11.0841

0.0004

12.9142

0.0005

90

null

90

null

90

null

919.86

0.06

110

2

null

3

P 21 21 21

P 2ac 2ab

19

(1R)-1,8,8-Trimethyl-3-oxabicyclo[3.2.1]octane-2,4-dione

- C10 H14 O3 -

- C40 H56 O12 -

4

1

QB0154

Kumaradhas, P; Levendis, D. C.; Koritsanszky, T.

The low-temperature study of D- and DL-camphoric anhydride

Acta Crystallographica Section C

2,000

56

3

e103

e104

10.1107/S0108270100001840

0.71073

MoKα

0.029

null

0.073

null

0.072

null

1.109

null

1.109

null

has coordinates

Kumaradhas, P; Levendis, D. C.; Koritsanszky, T. The low-temperature study of D- and DL-camphoric anhydride Acta Crystallographica Section C 56(3) (2000) e103-e104

301,798

2025-08-19

6:41:46

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/07/2010753.cif $ #-------------------------------------------------------------------...

2,010,754

6.4152

0.0004

11.4413

0.0008

12.5623

0.0008

90

null

91.968

null

90

null

921.51

0.1

110

2

null

3

P 1 21/n 1

-P 2yn

14

(R/S)-1,8,8-Trimethyl-3-oxabicyclo[3.2.1]octane-2,4-dione

- C10 H14 O3 -

- C40 H56 O12 -

4

1

QB0154

Kumaradhas, P; Levendis, D. C.; Koritsanszky, T.

The low-temperature study of D- and DL-camphoric anhydride

Acta Crystallographica Section C

2,000

56

3

e103

e104

10.1107/S0108270100001840

0.71073

MoKα

0.032

null

0.082

null

0.081

null

1.063

null

1.063

null

has coordinates,has Fobs

Kumaradhas, P; Levendis, D. C.; Koritsanszky, T. The low-temperature study of D- and DL-camphoric anhydride Acta Crystallographica Section C 56(3) (2000) e103-e104

301,798

2025-08-19

6:41:46

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/07/2010754.cif $ #-------------------------------------------------------------------...

2,010,755

4.845

0.002

18.369

0.006

13.7745

0.0012

90

null

91.77

0.02

90

null

1,225.3

0.7

293

2

293

2

null

5

P 1 21/n 1

-P 2yn

14

(2-phenylazophenyl-C,N')selenium iodide

- C12 H9 I N2 Se -

- C48 H36 I4 N8 Se4 -

4

1

QB0162

Majeed, Zulfiqar; McWhinnie, William R.; Lowe, Philip R.

A T-shaped selenenyl halide

Acta Crystallographica Section C

2,000

56

3

e105

e106

10.1107/S0108270100001852

0.71073

MoKα

0.064

0.043

null

0.122

null

1.168

null

has coordinates,has Fobs

Majeed, Zulfiqar; McWhinnie, William R.; Lowe, Philip R. A T-shaped selenenyl halide Acta Crystallographica Section C 56(3) (2000) e105-e106

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/07/2010755.cif $ #-------------------------------------------------------------------...

2,010,756

5.6528

0.0001

11.1532

0.0002

16.9897

0.0001

90

null

90

null

90

null

1,071.15

0.03

158

2

158

2

null

4

P 21 21 21

P 2ac 2ab

19

N-acetyl-L-phenylalanine

- C11 H13 N O3 -

- C44 H52 N4 O12 -

4

1

QB0164

Stout, Kyle L.; Hallock, Kevin J.; Kampf, Jeff W.; Ramamoorthy, Ayyalusamy

N-Acetyl-L-phenylalanine

Acta Crystallographica Section C

2,000

56

3

e100

10.1107/S0108270100001712

0.71073

MoKα

0.03

0.028

null

0.077

null

1.077

null

has coordinates,has Fobs

Stout, Kyle L.; Hallock, Kevin J.; Kampf, Jeff W.; Ramamoorthy, Ayyalusamy N-Acetyl-L-phenylalanine Acta Crystallographica Section C 56(3) (2000) e100-e100

301,798

2025-08-19

6:41:46

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/07/2010756.cif $ #-------------------------------------------------------------------...

2,010,757

13.249

0.003

10.801

0.002

21.193

0.005

90

null

104.5

0.02

90

null

2,936.2

1.1

203

2

203

2

null

5

C 1 2/c 1

-C 2yc

15

Bis[2-(diphenylphosphinyl)benzene] disulfide

- C36 H28 O2 P2 S2 -

- C144 H112 O8 P8 S8 -

4

0.5

QB0174

Perez-Lourido, P.; Garcia-Vazquez, J. A.; Romero, J.; Fernandez, P.; Sousa-Pedrares, A.; Sousa, A.

Bis[2-(diphenylphosphinoyl)benzene] disulfide

Acta Crystallographica Section C

2,000

56

3

e101

e102

10.1107/S0108270100001797

0.71073

MoKα

0.073

0.042

null

0.091

null

1.033

null

has coordinates,has Fobs

Perez-Lourido, P.; Garcia-Vazquez, J. A.; Romero, J.; Fernandez, P.; Sousa-Pedrares, A.; Sousa, A. Bis[2-(diphenylphosphinoyl)benzene] disulfide Acta Crystallographica Section C 56(3) (2000) e101-e102

301,798

2025-08-19

6:41:46

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/07/2010757.cif $ #-------------------------------------------------------------------...

2,010,758

7.1952

0.0013

17.356

0.003

8.3298

0.0016

90

null

111.148

0.014

90

null

970.2

0.3

298

2

298

2

null

4

P 1 21/c 1

-P 2ybc

14

- C10 H8 N2 O3 -

- C40 H32 N8 O12 -

4

1

QB0175

Nesterov, Vladimir N.; Kislyi, Victor P.; Timofeeva, Tatiana V.; Antipin, Mikhail Yu.; Semenov, Victor V.

trans-1-Cyano-2-(2-methoxyphenyl)-1-nitroethylene

Acta Crystallographica Section C

2,000

56

3

e107

e108

10.1107/S0108270100001864

0.71073

MoKα

0.106

0.055

null

0.14

null

1.112

null

has coordinates,has Fobs

Nesterov, Vladimir N.; Kislyi, Victor P.; Timofeeva, Tatiana V.; Antipin, Mikhail Yu.; Semenov, Victor V. trans-1-Cyano-2-(2-methoxyphenyl)-1-nitroethylene Acta Crystallographica Section C 56(3) (2000) e107-e108

301,798

2025-08-19

6:41:46

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/07/2010758.cif $ #-------------------------------------------------------------------...

2,010,759

7.9608

0.0001

10.6844

0.0001

12.8215

0.0003

93.577

0.001

97.737

0.001

99.046

0.001

1,063.28

0.03

150

2

150

2

null

5

P -1

-P 1

2

Pyrazolo[1,5-a]pyridine

2-[(4-Bromophenyl)-4-cyano-5-ferrocenylpyrazolo[1,5-a]pyridin-7yl] acetonitrile

- C26 H17 Br Fe N4 -

- C52 H34 Br2 Fe2 N8 -

2

1

QB0178

Sarkhel, Sanjay; Srivastava, Prativa; Ram, Vishnu J.; Maulik, Prakas R.; Broder, Charlotte K.; Howard, Judith A. K.

A highly functionalized ferrocenylpyrazolo[2,3-a]pyridine

Acta Crystallographica Section C

2,000

56

3

e88

e89

10.1107/S0108270100002535

0.71073

MoKα

0.068

0.048

null

0.14

0.106

null

1.028

0.933

null

has coordinates

Sarkhel, Sanjay; Srivastava, Prativa; Ram, Vishnu J.; Maulik, Prakas R.; Broder, Charlotte K.; Howard, Judith A. K. A highly functionalized ferrocenylpyrazolo[2,3-a]pyridine Acta Crystallographica Section C 56(3) (2000) e88-e89

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/07/2010759.cif $ #-------------------------------------------------------------------...

2,010,760

16.685

0.002

16.685

0.002

5.468

0.001

90

null

90

null

120

null

1,318.3

0.3

293

null

4

R 3 :H

R 3

146

tribenzylphosphine oxide

- C21 H21 O P -

- C63 H63 O3 P3 -

3

0.333333

QB0179

Novoa de Armas, Héctor; Pérez, Hiram; Peeters, Oswald M.; Blaton, Norbert M.; De Ranter, Camiel J.; López, José Manuel

Tribenzylphosphine oxide

Acta Crystallographica Section C

2,000

56

3

e98

e99

10.1107/S0108270100001566

0.71073

MoKα

0.034

0.032

null

0.088

null

0.088

null

1.068

null

1.068

null

has coordinates,has Fobs

Novoa de Armas, Héctor; Pérez, Hiram; Peeters, Oswald M.; Blaton, Norbert M.; De Ranter, Camiel J.; López, José Manuel Tribenzylphosphine oxide Acta Crystallographica Section C 56(3) (2000) e98-e99

301,798

2025-08-19

6:41:46

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/07/2010760.cif $ #-------------------------------------------------------------------...