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

2,009,388

21.381

0.003

21.381

0.003

21.487

0.003

90

null

90

null

90

null

9,823

2

298

null

298

null

4

I 41/a :2

-I 4ad

88

(2,2',6,6'-Tetramethyl) Piperidine Thiocyanate

- C20 H40 N4 S2 -

- C320 H640 N64 S32 -

16

1

HH1074

Harrison, William T. A.; Stucky, Galen D.; Gier, Thurman E.

2,2,6,6-Tetramethylpiperidinium thiocyanate, 2C~9~H~20~N^+^.2SCN^{-^}

Acta Crystallographica Section C

1,994

50

1

93

95

10.1107/S0108270193006183

0.71073

MoKα

null

0.054

null

0.051

null

has coordinates

Harrison, William T. A.; Stucky, Galen D.; Gier, Thurman E. 2,2,6,6-Tetramethylpiperidinium thiocyanate, 2C~9~H~20~N^+^.2SCN^{-^} Acta Crystallographica Section C 50(1) (1994) 93-95

301,791

2025-08-18

23:15:34

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2,009,389

13.693

0.006

14.731

0.015

8.737

0.005

90

null

106.51

0.05

90

null

1,690

2

299

null

6

P 1 21/a 1

-P 2yab

null

- C15 H22 F N O4 S -

- C60 H88 F4 N4 O16 S4 -

4

1

HL1027

Kim, M.-J.; Lee, Y.-B.; Kim, D.-W.; Lim, S.-S.; Lee, J.-H.; Ryu, B.-Y.; Suh, I.-H.

Structure of 2-(1-acetoxy-2-fluoropropyl)-N-tert-butylbenzenesulfonamide

Acta Crystallographica Section C

1,994

50

1

103

106

10.1107/S0108270193005372

0.71069

MoKα

null

0.0598

null

0.067

null

3.5233

null

has coordinates

Kim, M.-J.; Lee, Y.-B.; Kim, D.-W.; Lim, S.-S.; Lee, J.-H.; Ryu, B.-Y.; Suh, I.-H. Structure of 2-(1-acetoxy-2-fluoropropyl)-N-tert-butylbenzenesulfonamide Acta Crystallographica Section C 50(1) (1994) 103-106

301,791

2025-08-18

23:15:34

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2,009,390

6.875

0.001

9.036

0.001

21.676

0.002

90

null

90

null

90

null

1,346.6

0.3

293

null

293

null

4

P n a 21

P 2c -2n

33

APDA

8-(4-Acetylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane

- C15 H19 N O3 -

- C60 H76 N4 O12 -

4

1

HL1039

Ogawa, Keiichiro; Kaji, Makoto; Kagawa, Hiroyuki; Sagawa, Masakazu; Kakuta, Atsushi

Structure of 8-(4-acetylphenyl)-1,4-dioxa-8-azaspiro[4,5]decane: a new potential nonlinear optical material

Acta Crystallographica Section C

1,994

50

1

95

97

10.1107/S0108270193007917

1.54184

xray_tube

0.052

0.051

null

0.067

null

3.504

3.575

null

has coordinates

Ogawa, Keiichiro; Kaji, Makoto; Kagawa, Hiroyuki; Sagawa, Masakazu; Kakuta, Atsushi Structure of 8-(4-acetylphenyl)-1,4-dioxa-8-azaspiro[4,5]decane: a new potential nonlinear optical material Acta Crystallographica Section C 50(1) (1994) 95-97

301,791

2025-08-18

23:15:34

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2,009,391

9.063

0.002

18.205

0.002

18.681

0.001

90

null

90

null

90

null

3,082.2

0.8

293

null

293

null

3

P b c a

null

1-chloro-1,2,2-triphenylethene

- C20 H15 Cl -

- C160 H120 Cl8 -

8

1

KA1043

Herdtweck, Eberhardt; Ziche, Wolfgang; Auner, Norbert

1-Chloro-1,2,2-triphenylethene, C~20~H~15~Cl

Acta Crystallographica Section C

1,994

50

1

81

83

10.1107/S0108270193007115

0.71073

MoKα

0.055

null

0.035

null

3.154

null

has coordinates

Herdtweck, Eberhardt; Ziche, Wolfgang; Auner, Norbert 1-Chloro-1,2,2-triphenylethene, C~20~H~15~Cl Acta Crystallographica Section C 50(1) (1994) 81-83

301,791

2025-08-18

23:15:34

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2,009,392

9.892

0.002

9.846

0.001

14.169

0.002

90

null

107.52

0.01

90

null

1,316

0.4

292

null

4

P 1 21/a 1

-P 2yab

null

- C13 H16 N2 O3 -

- C52 H64 N8 O12 -

4

1

LI1048

Zukerman-Schpector, J.; Pinto, A.Da C.; Silva, J.F.M.Da; Silva, R.B.Da

Structure of 2'-(N-isopropyloxamoyl)acetanilide, C~13~H~16~N~2~O~3~

Acta Crystallographica Section C

1,994

50

1

87

88

10.1107/S0108270193004834

0.71073

MoKα

null

0.053

null

0.059

null

1.69

null

has coordinates

Zukerman-Schpector, J.; Pinto, A.Da C.; Silva, J.F.M.Da; Silva, R.B.Da Structure of 2'-(N-isopropyloxamoyl)acetanilide, C~13~H~16~N~2~O~3~ Acta Crystallographica Section C 50(1) (1994) 87-88

301,791

2025-08-18

23:15:34

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4,321,852

7.695

0.003

7.5

0.003

9.607

0.002

90

null

105.26

0.01

90

null

534.9

0.3

173

3

173

3

null

synthesized by J. Grobe and W. Golla

3

P 1 21/c 1

-P 2ybc

14

tetrakis(trifluoromethyl)diarsane

- C4 As2 F12 -

- C8 As4 F24 -

2

0.5

Gerd Becker; Winfried Golla; Joseph Grobe; Karl Wilhelm Klinkhammer; Duc Le Van; Andreas H. Maulitz; Otto Mundt; Heinz Oberhammer; Martin Sachs

Element-Element Bonds. IX.1 Structures of Tetrakis(trifluoromethyl)diphosphane and -diarsane: Experimental and Theoretical Investigations

Inorganic Chemistry

1,999

38

1099

1107

10.1021/ic981218d

0.71073

MoKα

0.045

0.0422

null

0.115

0.1117

null

1.23

1.298

null

has coordinates

Gerd Becker; Winfried Golla; Joseph Grobe; Karl Wilhelm Klinkhammer; Duc Le Van; Andreas H. Maulitz; Otto Mundt; Heinz Oberhammer; Martin Sachs Element-Element Bonds. IX.1 Structures of Tetrakis(trifluoromethyl)diphosphane and -diarsane: Experimental and Theoretical Investigations Inorganic Chemistry 38 (1999) 1099-110...

301,838

2025-08-20

22:17:36

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2,009,393

14.629

0.001

9.791

0.002

11.139

0.001

90

null

107.53

0.01

90

null

1,521.4

0.4

293

null

3

P 1 21/c 1

-P 2ybc

null

- C18 H24 O2 -

- C72 H96 O8 -

4

1

LI1049

Iulek, J.; Zukerman-Schpector, J.; Brocksom, T.J.; Silva, F.Jr.

Structures of the Diels–Alder reaction products of thymoquinone and 1-vinylcyclohexene. II. 7-Isopropyl-4-methyltricyclo[8.4.0.0^2,7^]tetradeca-4,9-diene-3,6-dione, C~18~H~24~O~2~

Acta Crystallographica Section C

1,994

50

1

85

86

10.1107/S0108270193004846

0.7073

MoKα

null

0.059

null

0.062

null

2.34

null

has coordinates

Iulek, J.; Zukerman-Schpector, J.; Brocksom, T.J.; Silva, F.Jr. Structures of the Diels–Alder reaction products of thymoquinone and 1-vinylcyclohexene. II. 7-Isopropyl-4-methyltricyclo[8.4.0.0^2,7^]tetradeca-4,9-diene-3,6-dione, C~18~H~24~O~2~ Acta Crystallographica Section C 50(1) (1994) 85-86

301,791

2025-08-18

23:15:34

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2,009,394

17.596

0.004

10.915

0.002

17.774

0.004

90

null

91.39

0.02

90

null

3,412.7

1.3

296

null

5

P 1 21/c 1

-P 2ybc

null

- C26 H48 Cu N S8 -

- C104 H192 Cu4 N4 S32 -

4

1

LI1051

Yao, T.-M.; You, X.-Z.; Li, C.; Li, L.-F.; Yang, Q.-C.

Copper complex of 6,7-dihydro-5H-1,4-dithiepine-2,3-dithiolate

Acta Crystallographica Section C

1,994

50

1

67

69

10.1107/S0108270193006419

0.71073

MoKα

null

0.051

null

0.0637

null

1.94

null

has coordinates

Yao, T.-M.; You, X.-Z.; Li, C.; Li, L.-F.; Yang, Q.-C. Copper complex of 6,7-dihydro-5H-1,4-dithiepine-2,3-dithiolate Acta Crystallographica Section C 50(1) (1994) 67-69

176,759

2020-10-21

18:00:00

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2,009,395

9.078

0.003

10.848

0.003

13.745

0.004

110.73

0.02

95.59

0.03

111.05

0.02

1,141.7

0.7

295

null

3

P -1

-P 1

2

- C28 H26 O5 -

- C56 H52 O10 -

2

1

LI1053

Ondráυcek, J.; Pakhomova, S.; Novotný, J.; Hovorka, M.; Ščigel, R.

Structure of methyl 2'-acetoxy-6'-tert-butyl-2-hydroxy-1,1'-binaphthalene-3-carboxylate, C~28~H~26~O~5~

Acta Crystallographica Section C

1,994

50

1

137

139

10.1107/S0108270193005761

0.71073

MoKα

null

0.047

null

0.054

null

1.352

null

has coordinates

Ondráυcek, J.; Pakhomova, S.; Novotný, J.; Hovorka, M.; Ščigel, R. Structure of methyl 2'-acetoxy-6'-tert-butyl-2-hydroxy-1,1'-binaphthalene-3-carboxylate, C~28~H~26~O~5~ Acta Crystallographica Section C 50(1) (1994) 137-139

301,791

2025-08-18

23:15:34

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2,009,396

11.534

0.006

22.224

0.008

13.295

0.009

90

null

108.09

0.05

90

null

3,239

3

294

1

null

5

P 1 21 1

P 2yb

4

- C31 H51 N O6 S -

- C62 H102 N2 O12 S2 -

- C124 H204 N4 O24 S4 -

2

1

LI1056

Bond, C.S.; Leonard, G.A.; Regan, A.C.; Hunter, W.N.; Andrews, J.F.P.

A chiral tetrahydro-γ-pyranonecarboxylate ester for asymmetric Nazarov cyclization

Acta Crystallographica Section C

1,994

50

1

133

136

10.1107/S0108270193006468

1.54178

CuKα

null

0.069

null

0.08

null

1.33

null

has coordinates

Bond, C.S.; Leonard, G.A.; Regan, A.C.; Hunter, W.N.; Andrews, J.F.P. A chiral tetrahydro-γ-pyranonecarboxylate ester for asymmetric Nazarov cyclization Acta Crystallographica Section C 50(1) (1994) 133-136

205,898

2020-10-21

18:00:00

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2,009,397

22.426

0.005

22.426

0.005

6.395

0.004

90

null

90

null

120

null

2,785

2

296

null

296

null

4

R 3 :H

R 3

146

2,7-dimethyl-3,5-octadiyne-2,7-diol

- C10 H14 Cl O2 -

- C10.3333 H14 Cl1.33333 O2 -

- C93 H126 Cl12 O18 -

9

1

MU1038

Leigh, D. A.; Moody, A. E.; Pritchard, R. G.

2,7-Dimethyl-3,5-octadiyne-2,7-diol dichloromethane solvate: a clathrate comprising hydrogen-bonded supramolecular tunnels containing dichloromethane guest molecules

Acta Crystallographica Section C

1,994

50

1

129

131

10.1107/S0108270193007747

0.71069

MoKα

null

0.0609

null

0.0736

null

2.56

null

has coordinates

Leigh, D. A.; Moody, A. E.; Pritchard, R. G. 2,7-Dimethyl-3,5-octadiyne-2,7-diol dichloromethane solvate: a clathrate comprising hydrogen-bonded supramolecular tunnels containing dichloromethane guest molecules Acta Crystallographica Section C 50(1) (1994) 129-131

277,834

2022-09-14

16:39:43

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4,321,851

5.297

0.003

6.816

0.002

8.028

0.003

108.58

0.01

99.66

0.01

103.29

0.01

258.09

0.19

173

3

173

3

null

synthesized by J. Grobe and W. Golla

3

P -1

-P 1

2

tetrakis(trifluoromethyl)diphosphane

- C4 F11 P2 -

- C4 F12 P2 -

1

0.5

Gerd Becker; Winfried Golla; Joseph Grobe; Karl Wilhelm Klinkhammer; Duc Le Van; Andreas H. Maulitz; Otto Mundt; Heinz Oberhammer; Martin Sachs

Element-Element Bonds. IX.1 Structures of Tetrakis(trifluoromethyl)diphosphane and -diarsane: Experimental and Theoretical Investigations

Inorganic Chemistry

1,999

38

1099

1107

10.1021/ic981218d

0.71073

MoKα

0.0755

0.0721

null

0.204

0.1912

null

1.081

1.088

null

has coordinates

Gerd Becker; Winfried Golla; Joseph Grobe; Karl Wilhelm Klinkhammer; Duc Le Van; Andreas H. Maulitz; Otto Mundt; Heinz Oberhammer; Martin Sachs Element-Element Bonds. IX.1 Structures of Tetrakis(trifluoromethyl)diphosphane and -diarsane: Experimental and Theoretical Investigations Inorganic Chemistry 38 (1999) 1099-110...

179,321

2020-10-21

18:00:00

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2,009,398

20.069

0.005

13.249

0.003

20.431

0.004

90

null

116.03

0.05

90

null

4,881

3

295

null

7

C 1 2/c 1

-C 2yc

15

- C36 H68 As4 Cl3 N2 O Tc -

- C40 H32 As4 Cl6 N3 O2 Tc -

- C160 H128 As16 Cl24 N12 O8 Tc4 -

4

0.5

MU1044

Banbery, H.J.; Hamor, T.A.

Chloronitrosylbis[o-phenylenebis(dimethylarsine)]technetium(I) chloride‒tetrabutylammonium chloride (1/1)

Acta Crystallographica Section C

1,994

50

1

44

46

10.1107/S0108270193006663

0.71069

MoKα

null

0.076

null

0.108

null

2.625

null

has coordinates

Banbery, H.J.; Hamor, T.A. Chloronitrosylbis[o-phenylenebis(dimethylarsine)]technetium(I) chloride‒tetrabutylammonium chloride (1/1) Acta Crystallographica Section C 50(1) (1994) 44-46

176,759

2020-10-21

18:00:00

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2,009,399

6.624

0.002

10.165

0.003

10.549

0.003

85.21

0.03

76.84

0.011

79.726

0.009

679.9

0.3

295

10

295

10

null

5

P -1

-P 1

2

4-Phenyl-1,2-dithia-3,5-diazolinium bis(maleonitrliedithiolato)platinum

- C22 H10 N8 Pt S8 -

1

0.5

MU1046

Clegg, William; Birkby, Sara L.; Banister, Arthur J.; Rawson, Jeremy M.; Wait, Simon, T.; Rizkallah, Pierre; Harding, Marjorie M.; Blake, Alexander J.

Structures of [PhCNSSN]~2~[Pt(mnt)~2~] and [(p-ClC~6~H~4~CNSSN)~2~Cl][Pt(mnt)~2~] (mnt = maleonitriledithiolato ligand)

Acta Crystallographica Section C

1,994

50

1

28

33

10.1107/S0108270193006651

0.91

synchrotron

0.0441

0.043

null

0.1009

0.0998

null

1.04

1.054

null

has coordinates

Clegg, William; Birkby, Sara L.; Banister, Arthur J.; Rawson, Jeremy M.; Wait, Simon, T.; Rizkallah, Pierre; Harding, Marjorie M.; Blake, Alexander J. Structures of [PhCNSSN]~2~[Pt(mnt)~2~] and [(p-ClC~6~H~4~CNSSN)~2~Cl][Pt(mnt)~2~] (mnt = maleonitriledithiolato ligand) Acta Crystallographica Section C 50(1) (19...

176,759

2020-10-21

18:00:00

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2,009,400

13.545

0.002

33.147

0.004

13.756

0.001

90

null

96.42

0.01

90

null

6,137.4

1.3

295

1

295

1

null

6

P 1 21/c 1

-P 2ybc

14

bis[4-(4-chlorophenyl)-1,2-dithia-3,5-diazolinium]chloride bis(maleonitriledithiolato)platinum

- C22 H8 Cl3 N8 Pt S8 -

- C176 H64 Cl24 N64 Pt8 S64 -

8

2

MU1046

Clegg, William; Birkby, Sara L.; Banister, Arthur J.; Rawson, Jeremy M.; Wait, Simon, T.; Rizkallah, Pierre; Harding, Marjorie M.; Blake, Alexander J.

Structures of [PhCNSSN]~2~[Pt(mnt)~2~] and [(p-ClC~6~H~4~CNSSN)~2~Cl][Pt(mnt)~2~] (mnt = maleonitriledithiolato ligand)

Acta Crystallographica Section C

1,994

50

1

28

33

10.1107/S0108270193006651

1.54184

CuKα

0.0818

0.0608

null

0.1865

0.1594

null

1.068

1.094

null

has coordinates

Clegg, William; Birkby, Sara L.; Banister, Arthur J.; Rawson, Jeremy M.; Wait, Simon, T.; Rizkallah, Pierre; Harding, Marjorie M.; Blake, Alexander J. Structures of [PhCNSSN]~2~[Pt(mnt)~2~] and [(p-ClC~6~H~4~CNSSN)~2~Cl][Pt(mnt)~2~] (mnt = maleonitriledithiolato ligand) Acta Crystallographica Section C 50(1) (19...

176,759

2020-10-21

18:00:00

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4,321,850

13.933

0.003

14.451

0.004

15.924

0.004

82.06

null

65.46

null

67.51

null

2,694

1.2

158

null

158

null

5

P -1

-P 1

2

- C100 H130 K4 O23 Zr2 -

- C100 H84 K4 O23 Zr2 -

1

0.5

William J. Evans; Mohammad A. Ansari; Joseph W. Ziller

Synthesis of Zirconium Aryloxide Complexes Containing Pendent Vinyl Groups

Inorganic Chemistry

1,999

38

1160

1164

10.1021/ic981201v

0.71073

MoKα

0.1048

0.0901

null

0.2776

0.257

null

1.063

1.081

null

has coordinates,has disorder

William J. Evans; Mohammad A. Ansari; Joseph W. Ziller Synthesis of Zirconium Aryloxide Complexes Containing Pendent Vinyl Groups Inorganic Chemistry 38 (1999) 1160-1164

179,321

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:18:08 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179321 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/18/4321850.cif $ #-------------------------------------------------------------------...

2,009,401

34.687

0.003

13.396

0.002

25.721

0.002

90

null

113.518

0.007

90

null

10,959

2

293

null

293

null

3

C 1 2/c 1

-C 2yc

15

pentahydroxy-p-tert-butylcalix[5]arene

The pentahydroxy-p-tert-butyl-calix[5]arene, 5,11,17,23,29-penta-tert- butyl-31,32,33,34,35-pentahydroxyhexacyclo[25.3.1.1^3,7^.1^9,13^.1^15,19^.- 1^21,25]pentatriaconta-1(31),3,5,7(35),9,11,13(34),15,17,19(33),21,23,25(32),- 27,29-pentadecaene:0.28heptane

- C57 H70 O5 -

- C56.875 H70 O5 -

- C455 H560 O40 -

8

1

MU1052

Gallagher, John F.; Ferguson, George; Böhmer, Volker; Kraft, Dagmar

Self inclusion in a calix[5]arene structure; structure of the cone conformer of a pentahydroxy-p-tert-butylcalix[5]arene

Acta Crystallographica Section C

1,994

50

1

73

77

10.1107/S0108270193007152

0.71073

MolybdenumKα

0.17

0.066

null

0.117

0.092

null

1.48

null

has coordinates

Gallagher, John F.; Ferguson, George; Böhmer, Volker; Kraft, Dagmar Self inclusion in a calix[5]arene structure; structure of the cone conformer of a pentahydroxy-p-tert-butylcalix[5]arene Acta Crystallographica Section C 50(1) (1994) 73-77

191,977

2020-10-21

18:00:00

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2,009,402

16.2124

0.0013

5.9458

0.0006

17.2602

0.0017

90

null

115.965

0.007

90

null

1,495.9

0.3

293

null

293

null

3

P 1 21/c 1

-P 2ybc

14

Benzyldiphenylcarbinol

1,2-triphenylethanol

- C20 H18 O -

- C80 H72 O4 -

4

1

MU1055

Ferguson, George; Gallagher, John F.; Glidewell, Christopher; Zakaria, Choudhury M.

O–H^{···^}π(arene) intermolecular hydrogen bonding in the structure of 1,1,2-triphenylethanol

Acta Crystallographica Section C

1,994

50

1

70

73

10.1107/S0108270193007164

0.71073

MolybdenumKα

0.103

0.037

null

0.052

0.042

null

1.29

null

has coordinates

Ferguson, George; Gallagher, John F.; Glidewell, Christopher; Zakaria, Choudhury M. O–H^{···^}π(arene) intermolecular hydrogen bonding in the structure of 1,1,2-triphenylethanol Acta Crystallographica Section C 50(1) (1994) 70-73

301,791

2025-08-18

23:15:34

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4,321,849

12.222

0.002

14.161

0.003

22.54

0.005

99.75

0.03

104.01

0.03

91.6

0.03

3,720.7

1.4

158

null

158

null

5

P -1

-P 1

2

- C75 H109 N O13 Zr2 -

- C150 H218 N2 O26 Zr4 -

2

1

William J. Evans; Mohammad A. Ansari; Joseph W. Ziller

Synthesis of Zirconium Aryloxide Complexes Containing Pendent Vinyl Groups

Inorganic Chemistry

1,999

38

1160

1164

10.1021/ic981201v

0.71073

MoKα

0.0951

0.066

null

0.1859

0.1614

null

1.013

1.048

null

has coordinates,has disorder

William J. Evans; Mohammad A. Ansari; Joseph W. Ziller Synthesis of Zirconium Aryloxide Complexes Containing Pendent Vinyl Groups Inorganic Chemistry 38 (1999) 1160-1164

301,838

2025-08-20

22:17:36

#------------------------------------------------------------------------------ #$Date: 2025-08-21 01:01:10 +0300 (Thu, 21 Aug 2025) $ #$Revision: 301838 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/18/4321849.cif $ #-------------------------------------------------------------------...

2,009,403

14.7334

0.0008

21.7592

0.0015

14.783

0.0009

90

null

117.273

0.004

90

null

4,212.4

0.5

293

null

293

null

4

C 1 2/c 1

-C 2yc

15

ferrocene-1,1'-diylbis(phenylethanol)

1,1'-Diphenyl-1,1'-(1,1'-ferrocenediyl)diethanol

- C26 H26 Fe O2 -

- C208 H208 Fe8 O16 -

8

1

MU1056

Gallagher, John F.; Ferguson, George; Glidewell, Christopher; Zakaria, Choudhury M.

Hydrogen-bonding patterns in ferrocene derivatives: structures of 1,1'-diphenyl-1,1'-(1,1'-ferrocenediyl)diethanol and 1,1'-(1,1'-ferrocenediyl)diethanol

Acta Crystallographica Section C

1,994

50

1

18

23

10.1107/S0108270193007012

0.71073

MolybdenumKα

0.056

0.03

null

0.045

0.043

null

1.45

null

has coordinates

Gallagher, John F.; Ferguson, George; Glidewell, Christopher; Zakaria, Choudhury M. Hydrogen-bonding patterns in ferrocene derivatives: structures of 1,1'-diphenyl-1,1'-(1,1'-ferrocenediyl)diethanol and 1,1'-(1,1'-ferrocenediyl)diethanol Acta Crystallographica Section C 50(1) (1994) 18-23

301,791

2025-08-18

23:15:34

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2,009,404

6.1096

0.0003

16.5931

0.0008

12.7382

0.0005

90

null

95.373

0.004

90

null

1,285.69

0.1

293

null

293

null

4

P 1 21/c 1

-P 2ybc

14

1,1'-(ferrocene-1,1'-diyl)diethanol

1,1'-(1,1'-ferrocenediyl)diethanol

- C14 H18 Fe O2 -

- C56 H72 Fe4 O8 -

4

1

MU1056

Gallagher, John F.; Ferguson, George; Glidewell, Christopher; Zakaria, Choudhury M.

Hydrogen-bonding patterns in ferrocene derivatives: structures of 1,1'-diphenyl-1,1'-(1,1'-ferrocenediyl)diethanol and 1,1'-(1,1'-ferrocenediyl)diethanol

Acta Crystallographica Section C

1,994

50

1

18

23

10.1107/S0108270193007012

0.71073

MolybdenumKα

0.035

0.026

null

0.044

0.042

null

1.51

null

has coordinates

Gallagher, John F.; Ferguson, George; Glidewell, Christopher; Zakaria, Choudhury M. Hydrogen-bonding patterns in ferrocene derivatives: structures of 1,1'-diphenyl-1,1'-(1,1'-ferrocenediyl)diethanol and 1,1'-(1,1'-ferrocenediyl)diethanol Acta Crystallographica Section C 50(1) (1994) 18-23

176,435

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/94/2009404.cif $ #-------------------------------------------------------------------...

4,321,848

10.132

0.002

13.484

0.003

16.408

0.003

93.85

0.02

101.17

0.02

99.694

0.015

2,156.2

0.8

163

null

163

null

4

P -1

-P 1

2

- C38 H64 O10 Zr2 -

- C76 H128 O20 Zr4 -

2

1

William J. Evans; Mohammad A. Ansari; Joseph W. Ziller

Synthesis of Zirconium Aryloxide Complexes Containing Pendent Vinyl Groups

Inorganic Chemistry

1,999

38

1160

1164

10.1021/ic981201v

0.71073

MoKα

0.055

0.0413

null

0.1086

0.0992

null

1.056

1.075

null

has coordinates,has disorder

William J. Evans; Mohammad A. Ansari; Joseph W. Ziller Synthesis of Zirconium Aryloxide Complexes Containing Pendent Vinyl Groups Inorganic Chemistry 38 (1999) 1160-1164

179,321

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:18:08 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179321 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/18/4321848.cif $ #-------------------------------------------------------------------...

2,009,405

14.84

0.001

19.592

0.001

17.716

0.001

90

null

90

null

90

null

5,150.8

0.5

293

null

293

null

7

P b c n

-P 2n 2ab

60

{Tris-[4-(2-thienyl)-3-aza-3-butenyl]amine}copper(I) tetrafluoroborate

- C21 H24 B Cu F4 N4 S3 -

- C168 H192 B8 Cu8 F32 N32 S24 -

8

1

MU1057

Gallagher, John F.; Alyea, Elmer C.; Ferguson, George; Xu Zheng

Structure of the copper tripodal Schiff base complex {tris[4-(2-thienyl)-3-aza-κN-3-butenyl]amine-κN}copper(I) tetrafluoroborate

Acta Crystallographica Section C

1,994

50

1

16

18

10.1107/S0108270193007176

0.71073

MolybdenumKα

0.155

0.04

null

0.066

0.047

null

1.3

null

has coordinates

Gallagher, John F.; Alyea, Elmer C.; Ferguson, George; Xu Zheng Structure of the copper tripodal Schiff base complex {tris[4-(2-thienyl)-3-aza-κN-3-butenyl]amine-κN}copper(I) tetrafluoroborate Acta Crystallographica Section C 50(1) (1994) 16-18

191,977

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-02-10 18:21:58 +0200 (Fri, 10 Feb 2017) $ #$Revision: 191977 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/94/2009405.cif $ #-------------------------------------------------------------------...

2,009,406

17.071

0.006

9.368

0.004

14.566

0.009

90

null

107.95

0.05

90

null

2,216

1.9

160

1

160

1

null

5

P 1 21/c 1

-P 2ybc

14

- C16 H22 Br3 In P2 -

- C64 H88 Br12 In4 P8 -

4

1

MU1062

Clegg, William; Norman, Nicholas C.; Pickett, Nigel L.

Structures of the indium trihalide bisphosphine complexes of [InBr~3~(PMe~2~Ph)~2~] and [InI~3~(PMePh~2~)~2~]

Acta Crystallographica Section C

1,994

50

1

36

38

10.1107/S010827019300695X

0.71073

MoKα

0.0906

0.0575

null

0.17

0.1405

null

1.13

1.122

null

has coordinates

Clegg, William; Norman, Nicholas C.; Pickett, Nigel L. Structures of the indium trihalide bisphosphine complexes of [InBr~3~(PMe~2~Ph)~2~] and [InI~3~(PMePh~2~)~2~] Acta Crystallographica Section C 50(1) (1994) 36-38

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/94/2009406.cif $ #-------------------------------------------------------------------...

2,009,407

14.758

0.003

22.038

0.004

8.977

0.002

90

null

90

null

90

null

2,919.7

1

160

1

160

1

null

5

P n a 21

P 2c -2n

33

- C26 H26 I3 In P2 -

- C104 H104 I12 In4 P8 -

4

1

MU1062

Clegg, William; Norman, Nicholas C.; Pickett, Nigel L.

Structures of the indium trihalide bisphosphine complexes of [InBr~3~(PMe~2~Ph)~2~] and [InI~3~(PMePh~2~)~2~]

Acta Crystallographica Section C

1,994

50

1

36

38

10.1107/S010827019300695X

0.71073

MoKα

0.0424

0.0316

null

0.112

0.0964

null

1.119

1.061

null

has coordinates

Clegg, William; Norman, Nicholas C.; Pickett, Nigel L. Structures of the indium trihalide bisphosphine complexes of [InBr~3~(PMe~2~Ph)~2~] and [InI~3~(PMePh~2~)~2~] Acta Crystallographica Section C 50(1) (1994) 36-38

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/94/2009407.cif $ #-------------------------------------------------------------------...

2,009,408

6.6495

0.0004

9.8627

0.0007

17.6172

0.0012

90

null

91.286

0.005

90

null

1,155.08

0.13

293

null

293

null

4

P 1 21/c 1

-P 2ybc

14

tetramethyloxaheptanedinitrile

2,2,6,6-tetramethyl-4-oxaheptanedinitrile

- C10 H16 N2 O -

- C40 H64 N8 O4 -

4

1

MU1064

Ferguson, George; Gallagher, John F.; McAlees, Alan J.

Structure of 2,2,6,6-tetramethyl-4-oxaheptanedinitrile

Acta Crystallographica Section C

1,994

50

1

77

78

10.1107/S0108270193007188

0.71073

MoKα

0.227

0.05

null

0.06

0.042

null

1.3

null

has coordinates

Ferguson, George; Gallagher, John F.; McAlees, Alan J. Structure of 2,2,6,6-tetramethyl-4-oxaheptanedinitrile Acta Crystallographica Section C 50(1) (1994) 77-78

301,791

2025-08-18

23:15:34

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/94/2009408.cif $ #-------------------------------------------------------------------...

2,009,409

10.383

0.002

12.906

0.003

13.327

0.003

90

null

90

null

90

null

1,785.9

0.7

160

1

160

1

null

4

P 21 21 21

P 2ac 2ab

19

- C18 H26 Cl2 Nb -

- C72 H104 Cl8 Nb4 -

4

1

MU1065

McCamley, Andrew; Miller, Thomas J.; Clegg, William

Bis(η^5^-tert-butylcyclopentadienyl)dichloroniobium(IV)

Acta Crystallographica Section C

1,994

50

1

33

36

10.1107/S0108270193006961

0.71073

MoKα

0.0641

0.0324

null

0.0831

0.0731

null

1.053

1.07

null

has coordinates

McCamley, Andrew; Miller, Thomas J.; Clegg, William Bis(η^5^-tert-butylcyclopentadienyl)dichloroniobium(IV) Acta Crystallographica Section C 50(1) (1994) 33-36

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/94/2009409.cif $ #-------------------------------------------------------------------...

4,321,847

10.9305

0.0008

12.326

0.0011

12.583

0.0007

114.528

0.006

93.872

0.005

103.208

0.006

1,476.1

0.2

150

2

150

2

null

7

P -1

-P 1

2

- C42 H56 Cu2 F12 N12 O16 S4 -

1

0.5

Richard H. Bode; Johan E. Bol; Willem L. Driessen; Frans B. Hulsbergen; Jan Reedijk; Anthony L. Spek

Formation of Dinuclear Copper(II) Complexes from a Macrocycle with Built-in Pyrazole Groups

Inorganic Chemistry

1,999

38

1239

1243

10.1021/ic9811704

0.71073

MoKα

0.0539

0.0455

null

0.1237

0.1304

null

0.996

null

has coordinates

Richard H. Bode; Johan E. Bol; Willem L. Driessen; Frans B. Hulsbergen; Jan Reedijk; Anthony L. Spek Formation of Dinuclear Copper(II) Complexes from a Macrocycle with Built-in Pyrazole Groups Inorganic Chemistry 38 (1999) 1239-1243

301,838

2025-08-20

22:17:36

#------------------------------------------------------------------------------ #$Date: 2025-08-21 01:01:10 +0300 (Thu, 21 Aug 2025) $ #$Revision: 301838 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/18/4321847.cif $ #-------------------------------------------------------------------...

2,009,410

20.838

0.004

19.88

0.004

10.861

0.003

90

null

90

null

90

null

4,499.3

1.8

293

null

4

P b c a

-P 2ac 2ab

61

- C24 H20 N4 O6 -

- C192 H160 N32 O48 -

8

1

NA1037

Donati, D.; Fiorenza, M.; Sarti-Fantoni, P.

Structure of [1α(E),5α,6β,7α]-4-methyl-7-(3-methyl-4-nitro-5-isoxazolyl)-5-nitro-6-phenyl-1-styryl-2-oxa-3-azabicyclo[3.2.0]hept-3-ene

Acta Crystallographica Section C

1,994

50

1

141

144

10.1107/S010827019300633X

1.5418

CuKα

null

0.043

null

0.049

null

0.088

null

has coordinates

Donati, D.; Fiorenza, M.; Sarti-Fantoni, P. Structure of [1α(E),5α,6β,7α]-4-methyl-7-(3-methyl-4-nitro-5-isoxazolyl)-5-nitro-6-phenyl-1-styryl-2-oxa-3-azabicyclo[3.2.0]hept-3-ene Acta Crystallographica Section C 50(1) (1994) 141-144

301,791

2025-08-18

23:15:34

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/94/2009410.cif $ #-------------------------------------------------------------------...

2,009,411

8.634

0.001

10.31

0.001

10.493

0.001

84.15

0.01

81.32

0.01

76.41

0.01

895.35

0.17

295

2

295

2

null

4

P -1

-P 1

2

methyl 5-benzoyl-1-(2-methoxycarbonylphenyl)-2-pyrazoline-3-carboxylate

- C20 H18 N2 O5 -

- C40 H36 N4 O10 -

2

1

NA1050

Pilati, T.; Casalone, G.

Structure of two 1,3,5-substituted 2-pyrazolines, C~20~H~18~N~2~O~5~ and C~20~H~20~N~2~O~5~

Acta Crystallographica Section C

1,994

50

1

88

91

10.1107/S0108270193007097

0.71073

MoKα

null

0.035

null

0.042

null

2.261

null

has coordinates

Pilati, T.; Casalone, G. Structure of two 1,3,5-substituted 2-pyrazolines, C~20~H~18~N~2~O~5~ and C~20~H~20~N~2~O~5~ Acta Crystallographica Section C 50(1) (1994) 88-91

301,791

2025-08-18

23:15:34

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/94/2009411.cif $ #-------------------------------------------------------------------...

2,009,412

28.96

0.003

7.984

0.001

18.388

0.002

90

null

120.55

0.01

90

null

3,661.4

0.8

295

2

295

2

null

4

C 1 2/c 1

-C 2yc

null

methyl (\±)-5($αlpha$-hydroxybenzyl)-1-(2-methoxycarbonylphenyl)-2-pyrazoline-3 -carboxylate

- C20 H20 N2 O5 -

- C160 H160 N16 O40 -

8

1

NA1050

Pilati, T.; Casalone, G.

Structure of two 1,3,5-substituted 2-pyrazolines, C~20~H~18~N~2~O~5~ and C~20~H~20~N~2~O~5~

Acta Crystallographica Section C

1,994

50

1

88

91

10.1107/S0108270193007097

0.71073

MoKα

null

0.035

null

0.036

null

1.818

null

has coordinates

Pilati, T.; Casalone, G. Structure of two 1,3,5-substituted 2-pyrazolines, C~20~H~18~N~2~O~5~ and C~20~H~20~N~2~O~5~ Acta Crystallographica Section C 50(1) (1994) 88-91

301,791

2025-08-18

23:15:34

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/94/2009412.cif $ #-------------------------------------------------------------------...

2,009,413

13.16

0.006

13.565

0.006

11.077

0.005

109.75

0.03

79.52

0.03

116.88

0.03

1,659

1.4

295

null

8

P -1

-P 1

2

- C68 H64 Cl2 N2 Ni2 O8 P4 S2 -

1

0.5

OH1024

Nakanishi, I.; Tanaka, S.; Matsumoto, K.; Ooi, S.

Structures of mixed benzenethiolatophosphino dinuclear complexes of nickel(II) and palladium(II)

Acta Crystallographica Section C

1,994

50

1

58

61

10.1107/S010827019300616X

0.71069

MoKα

null

0.054

null

0.086

null

0.26

null

has coordinates

Nakanishi, I.; Tanaka, S.; Matsumoto, K.; Ooi, S. Structures of mixed benzenethiolatophosphino dinuclear complexes of nickel(II) and palladium(II) Acta Crystallographica Section C 50(1) (1994) 58-61

301,791

2025-08-18

23:15:34

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/94/2009413.cif $ #-------------------------------------------------------------------...

2,009,414

14.395

0.009

12.483

0.01

9.625

0.005

66.85

0.05

105.09

0.05

115.97

0.06

1,421.5

1.8

295

null

6

P -1

-P 1

2

- C62 H53 N P2 Pd2 S4 -

- C71 H50 N7 P2 Pd2 S4 -

1

0.5

OH1024

Nakanishi, I.; Tanaka, S.; Matsumoto, K.; Ooi, S.

Structures of mixed benzenethiolatophosphino dinuclear complexes of nickel(II) and palladium(II)

Acta Crystallographica Section C

1,994

50

1

58

61

10.1107/S010827019300616X

0.71069

MoKα

null

0.055

null

0.088

null

0.3

null

has coordinates

Nakanishi, I.; Tanaka, S.; Matsumoto, K.; Ooi, S. Structures of mixed benzenethiolatophosphino dinuclear complexes of nickel(II) and palladium(II) Acta Crystallographica Section C 50(1) (1994) 58-61

176,435

2020-10-21

18:00:00

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4,321,846

9.5662

0.0005

20.5522

0.0016

13.9733

0.0013

90

null

121.29

0.006

90

null

2,347.7

0.3

150

2

150

2

null

5

P 1 21/c 1

-P 2ybc

14

- C38 H52 Cu2 N16 O14 -

- C76 H104 Cu4 N32 O28 -

2

0.5

Richard H. Bode; Johan E. Bol; Willem L. Driessen; Frans B. Hulsbergen; Jan Reedijk; Anthony L. Spek

Formation of Dinuclear Copper(II) Complexes from a Macrocycle with Built-in Pyrazole Groups

Inorganic Chemistry

1,999

38

1239

1243

10.1021/ic9811704

0.71073

MoKα

0.1436

0.0664

null

0.1304

0.1507

null

0.922

null

has coordinates

Richard H. Bode; Johan E. Bol; Willem L. Driessen; Frans B. Hulsbergen; Jan Reedijk; Anthony L. Spek Formation of Dinuclear Copper(II) Complexes from a Macrocycle with Built-in Pyrazole Groups Inorganic Chemistry 38 (1999) 1239-1243

301,838

2025-08-20

22:17:36

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2,009,415

13.679

0.004

15.182

0.004

15.39

0.003

90

null

90

null

90

null

3,196.1

1.4

293

null

293

null

4

P 21 21 21

P 2ac 2ab

19

L-2-(1,2:5,6-di-O-isopropylidène-α-D-allofuranos-3-yl) dibenzyl-tert- butyle glycinate

- C32 H43 N O8 -

- C128 H172 N4 O32 -

4

1

PA1055

Chiaroni, Angèle; Riche, Claude; Bouifraden, S.; Ittobane, N.; Lavergne, J.-P.; Viallefont, P.

Structure du L-2-(1,2:5,6-di-O-isopropylidène-α-D-allofuranos-3-yl)dibenzylglycinate de tert-butyle, C~32~H~43~NO~8~

Acta Crystallographica Section C

1,994

50

1

110

112

10.1107/S0108270193004512

1.5418

CuKα

null

0.049

null

0.069

null

1.55

null

has coordinates

Chiaroni, Angèle; Riche, Claude; Bouifraden, S.; Ittobane, N.; Lavergne, J.-P.; Viallefont, P. Structure du L-2-(1,2:5,6-di-O-isopropylidène-α-D-allofuranos-3-yl)dibenzylglycinate de tert-butyle, C~32~H~43~NO~8~ Acta Crystallographica Section C 50(1) (1994) 110-112

301,791

2025-08-18

23:15:34

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2,009,416

7.774

0.003

11.235

0.004

6.463

0.003

90

null

92.15

0.01

90

null

564.1

0.4

298

null

5

P 1 21 1

P 2yb

4

- C7 H15 Cl Cu O8 -

- C7 H12 Cl Cu O8 -

- C14 H24 Cl2 Cu2 O16 -

2

1

PA1060

Bkouche-Waksman, I.

Structure and absolute configuration of a quinic acid‒copper(II) complex

Acta Crystallographica Section C

1,994

50

1

62

64

10.1107/S010827019300842X

0.7107

MoKα

null

0.045

null

0.056

null

1.29

null

has coordinates

Bkouche-Waksman, I. Structure and absolute configuration of a quinic acid‒copper(II) complex Acta Crystallographica Section C 50(1) (1994) 62-64

198,479

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-07-05 19:37:27 +0300 (Wed, 05 Jul 2017) $ #$Revision: 198479 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/94/2009416.cif $ #-------------------------------------------------------------------...

2,009,417

37.716

0.002

5.765

0.001

5.313

0.001

103.97

0.02

89.628

0.001

94.75

0.01

1,117.1

0.3

293

null

293

null

5

P -1

-P 1

2

4-cyanophenyl 4-perfluoroheptylbenzoate

- C21 H8 F15 N O2 -

- C42 H16 F30 N2 O4 -

2

1

PA1061

Kromm, P.; Bideau, J.-P.; Cotrait, M.; Destrade, C.; Nguyen, H.T.

4-Cyanophenyl 4-perfluoroheptylbenzoate

Acta Crystallographica Section C

1,994

50

1

112

115

10.1107/S0108270193007401

1.5418

CopperKα

null

0.076

null

0.087

null

1.51

null

has coordinates

Kromm, P.; Bideau, J.-P.; Cotrait, M.; Destrade, C.; Nguyen, H.T. 4-Cyanophenyl 4-perfluoroheptylbenzoate Acta Crystallographica Section C 50(1) (1994) 112-115

301,791

2025-08-18

23:15:34

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2,009,418

12.4

0.001

12.4

0.001

7.102

0.001

90

null

90

null

90

null

1,092

0.2

293

2

293

2

null

3

P 43

P 4cw

78

2,7-Anhydro-4,5-O-isopropylidene-β-D-altro-2-heptulopyranose

- C10 H16 O6 -

- C40 H64 O24 -

4

1

SE1033

Kopf, Jürgen; Abeln, Dirk; Köll, Peter

Structure of isopropylidene sedoheptulosan

Acta Crystallographica Section C

1,994

50

1

83

85

10.1107/S0108270193007218

1.54178

CuKα

0.0303

0.0277

null

0.073

0.0711

null

0.998

1.01

null

has coordinates

Kopf, Jürgen; Abeln, Dirk; Köll, Peter Structure of isopropylidene sedoheptulosan Acta Crystallographica Section C 50(1) (1994) 83-85

301,791

2025-08-18

23:15:34

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2,009,419

8.854

0.007

8.854

0.007

8.854

0.007

90

null

90

null

90

null

694.1

1

293

null

4

P -4 3 m

P -4 2 3

null

- Cu Ni5 Sn9 Zn5 -

- Ni13 Sn13 -

- Ni26 Sn26 -

2

0.083333

SH1035

Larsson, A-K.; Lidin, S.; Jacob, M.

Sn~8.7~(Ni~0.5~,Zn~0.4~,Cu~0.1~)~10.4~, a new tin-based alloy from a complex metallic mixture

Acta Crystallographica Section C

1,994

50

1

9

12

10.1107/S0108270193006481

0.71069

MoKα

null

0.0535

null

0.0752

null

1.01

null

has coordinates

Larsson, A-K.; Lidin, S.; Jacob, M. Sn~8.7~(Ni~0.5~,Zn~0.4~,Cu~0.1~)~10.4~, a new tin-based alloy from a complex metallic mixture Acta Crystallographica Section C 50(1) (1994) 9-12

176,435

2020-10-21

18:00:00

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2,009,420

6.843

0.002

11.748

0.003

15.228

0.003

90

null

90

null

90

null

1,224.2

0.5

295

null

3

C c m m

C 2c -2c

null

- Cl2 O11 Te6 -

- Cl2 O6 Te3 -

- Cl8 O24 Te12 -

4

0.25

SH1049

Giester, G.

Te~6~O~11~Cl~2~ ‒ a revision of crystal symmetry

Acta Crystallographica Section C

1,994

50

1

3

4

10.1107/S0108270193006080

0.71073

MoKα

null

0.036

null

0.036

null

2.89

null

has coordinates

Giester, G. Te~6~O~11~Cl~2~ ‒ a revision of crystal symmetry Acta Crystallographica Section C 50(1) (1994) 3-4

176,759

2020-10-21

18:00:00

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2,009,421

11.004

0.003

13.482

0.004

19.935

0.002

90

null

90

null

90

null

2,957.5

1.2

153

2

153

2

null

5

P 21 21 21

P 2ac 2ab

19

cyclo(L-Thr-D-Val-L-Pro-Sar-N-MeVal-L-Val-O~Thr~)

- C24 H46 Cl N5 O8 -

- C96 H184 Cl4 N20 O32 -

4

1

SH1066

Pohl, Ehmke; Sheldrick, George M.; Fischer, Stefan; Lackner, Helmut

Structure of cyclo-(L-threonyl-D-valyl-L-prolyl-sarcosyl-N-methyl-L-valyl-O~Thr~) at 153 K

Acta Crystallographica Section C

1,994

50

1

100

103

10.1107/S0108270193007334

0.71073

MoKα

0.0372

0.0334

null

1.064

1.065

null

has coordinates,has disorder

Pohl, Ehmke; Sheldrick, George M.; Fischer, Stefan; Lackner, Helmut Structure of cyclo-(L-threonyl-D-valyl-L-prolyl-sarcosyl-N-methyl-L-valyl-O~Thr~) at 153 K Acta Crystallographica Section C 50(1) (1994) 100-103

176,759

2020-10-21

18:00:00

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4,321,845

13.314

0.002

13.49

0.002

14.645

0.002

108.267

0.01

104.834

0.01

101.221

0.01

2,303.8

0.6

293

2

293

2

null

5

P -1

-P 1

2

- C48 H44 Cl0.5 N12 Pd -

- C40.46 H30.32 Cl0.5 N12 Pd -

- C80.92 H60.64 Cl N24 Pd2 -

2

1

Tianle Zhang; Marc Drouin; Pierre D. Harvey

Preparation, Spectroscopic Characterization, and Theoretical Study of the [Pd4(dmb)4(PPh3)2]Cl2 Complex (dmb = 1,8-Diisocyano-p-menthane) and Its Organometallic Polymer {[Pd4(dmb)5](CH3CO2)2}n: The First Examples of 58-Electron Linear Pd4 Clusters

Inorganic Chemistry

1,999

38

1305

1315

10.1021/ic9811594

1.5406

0.1192

0.0739

null

0.1961

0.2241

null

1.002

null

has coordinates,has disorder

Tianle Zhang; Marc Drouin; Pierre D. Harvey Preparation, Spectroscopic Characterization, and Theoretical Study of the [Pd4(dmb)4(PPh3)2]Cl2 Complex (dmb = 1,8-Diisocyano-p-menthane) and Its Organometallic Polymer {[Pd4(dmb)5](CH3CO2)2}n: The First Examples of 58-Electron Linear Pd4 Clusters Inorganic Chemistry 38 (1999...

176,467

2020-10-21

18:00:00

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2,009,422

8.687

0.001

20.976

0.003

7.035

0.001

90

null

110.8

0.01

90

null

1,198.4

0.3

298

null

5

P 1 21/c 1

-P 2ybc

null

- C11 H8 Ag N3 O4 -

- C13.75 H10 Ag1.25 N7.5 O1.25 -

- C55 H40 Ag5 N30 O5 -

4

1

ST1055

Sommerer, S.O.; Westcott, B.L.; Abboud, K.A.

Structures of catena-poly[(nitrato-O,O')silver(I)-μ-(di-2-pyridyl ketone-N:N')] and di-2-pyridyl ketone

Acta Crystallographica Section C

1,994

50

1

48

52

10.1107/S0108270193006444

0.71073

MoKα

null

0.035

null

0.032

null

1.77

null

has coordinates

Sommerer, S.O.; Westcott, B.L.; Abboud, K.A. Structures of catena-poly[(nitrato-O,O')silver(I)-μ-(di-2-pyridyl ketone-N:N')] and di-2-pyridyl ketone Acta Crystallographica Section C 50(1) (1994) 48-52

176,435

2020-10-21

18:00:00

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2,009,423

12.314

0.002

13.402

0.002

7.212

0.001

90

null

97.16

0.01

90

null

1,180.9

0.3

293

null

6

P 1 21/c 1

-P 2ybc

null

- C11 H9 B F4 N2 O -

- C11 H10 B F7 N2 O -

- C44 H40 B4 F28 N8 O4 -

4

1

ST1055

Sommerer, S.O.; Westcott, B.L.; Abboud, K.A.

Structures of catena-poly[(nitrato-O,O')silver(I)-μ-(di-2-pyridyl ketone-N:N')] and di-2-pyridyl ketone

Acta Crystallographica Section C

1,994

50

1

48

52

10.1107/S0108270193006444

0.71073

MoKα

null

0.0526

null

0.0597

null

1.87

null

has coordinates

Sommerer, S.O.; Westcott, B.L.; Abboud, K.A. Structures of catena-poly[(nitrato-O,O')silver(I)-μ-(di-2-pyridyl ketone-N:N')] and di-2-pyridyl ketone Acta Crystallographica Section C 50(1) (1994) 48-52

176,435

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/94/2009423.cif $ #-------------------------------------------------------------------...

2,009,424

3.327

0.0002

3.327

0.0002

12.175

0.0001

90

null

90

null

120

null

116.709

0.01

296

null

3

P 63/m m c

-P 6c 2c

null

- Fe In O3 -

- Fe2 In2 O6 -

2

0.083333

ST1059

Giaquinta, D.M.; Davis, W.M.; Zur Loye, H.-C.

Structure of indium iron oxide

Acta Crystallographica Section C

1,994

50

1

5

7

10.1107/S0108270193007723

0.71069

MoKα

null

0.014

null

0.015

null

1.28

null

has coordinates

Giaquinta, D.M.; Davis, W.M.; Zur Loye, H.-C. Structure of indium iron oxide Acta Crystallographica Section C 50(1) (1994) 5-7

176,435

2020-10-21

18:00:00

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2,009,425

14.794

0.019

18.377

0.015

23.41

0.04

90

null

97.63

0.11

90

null

6,308

15

293

null

293

null

7

C 1 2/c 1

-C 2yc

15

cis-Dicarbonyldichlorobis(triphenylphosphine)bis[μ- [2,6,7-trithia-1,3,4,5-tetraphosphabicyclo[2.2.1] heptanato(2-)-P3;P3,P5]]diiridium, compound with toluene (1:2)

- C52 H46 Cl2 Ir2 O2 P10 S6 -

- C208 H184 Cl8 Ir8 O8 P40 S24 -

4

0.5

ST1074

Kuwabara, Estelle; Bau, Robert

cis-[IrCl(CO)(PPh~3~)(μ-P~4~S~3~)]~2~.2CH~3~C~6~H~5~

Acta Crystallographica Section C

1,994

50

1

64

67

10.1107/S0108270193006456

0.71069

MolybdenumKα

null

0.039

null

0.045

null

has coordinates

Kuwabara, Estelle; Bau, Robert cis-[IrCl(CO)(PPh~3~)(μ-P~4~S~3~)]~2~.2CH~3~C~6~H~5~ Acta Crystallographica Section C 50(1) (1994) 64-67

198,849

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-07-20 16:18:11 +0300 (Thu, 20 Jul 2017) $ #$Revision: 198849 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/94/2009425.cif $ #-------------------------------------------------------------------...

2,009,426

8.364

0.003

17.281

0.002

11.94

0.001

90

null

97.37

0.02

90

null

1,711.5

0.7

298

null

5

P 1 21/n 1

-P 2yn

14

- C12 H20 N4 O4 Se2 -

- C48 H80 N16 O16 Se8 -

4

1

AB1071

Shatzmiller, S.; Goldberg, I.; Stein, Z.; Naddaka, V.I.

1,6-Diselenacyclodecane-3,4,8,9-tetraone tetrakis(O-methyloxime)

Acta Crystallographica Section C

1,994

50

2

304

306

10.1107/S0108270193006225

0.7107

MoKα

null

0.036

null

0.035

null

1.24

null

has coordinates

Shatzmiller, S.; Goldberg, I.; Stein, Z.; Naddaka, V.I. 1,6-Diselenacyclodecane-3,4,8,9-tetraone tetrakis(O-methyloxime) Acta Crystallographica Section C 50(2) (1994) 304-306

301,791

2025-08-18

23:15:34

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2,009,427

12.5702

0.0009

9.1053

0.0006

19.17

0.0014

90

null

90.798

0.009

90

null

2,193.9

0.3

295

null

4

P 1 21/c 1

-P 2ybc

null

- C26 H25 N2 P -

- C104 H100 N8 P4 -

4

1

AL1048

Llamas-Saiz, A.L.; Foces-Foces, C.

Substitution effects on the structure of o-aryliminophosphoranes

Acta Crystallographica Section C

1,994

50

2

255

259

10.1107/S0108270193006146

1.5418

CuKα

null

0.047

null

0.05

null

1.11

null

has coordinates

Llamas-Saiz, A.L.; Foces-Foces, C. Substitution effects on the structure of o-aryliminophosphoranes Acta Crystallographica Section C 50(2) (1994) 255-259

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/94/2009427.cif $ #-------------------------------------------------------------------...

2,009,428

6.366

0.002

15.052

0.002

17.574

0.003

90

null

90

null

90

null

1,684

0.6

298

null

6

P b c 21

P 2c -2b

null

- C9 H24 Cl3 Co N4 O4 -

- C9 H24 Cl3 Co N4 O8 -

- C36 H96 Cl12 Co4 N16 O32 -

4

1

AS1032

Lu, T.-H.; Lai, C.-Y.; Chung, C.-S.

trans-Dichloro[(2RS,5RS,9SR,12RS)-2,5,9,12-tetraazatridecane]cobalt(III) perchlorate, [CoCl~2~(C~9~H~24~N~4~)]ClO~4~

Acta Crystallographica Section C

1,994

50

2

202

203

10.1107/S0108270193007231

0.71073

MoKα

null

0.056

null

0.054

null

0.8

null

has coordinates

Lu, T.-H.; Lai, C.-Y.; Chung, C.-S. trans-Dichloro[(2RS,5RS,9SR,12RS)-2,5,9,12-tetraazatridecane]cobalt(III) perchlorate, [CoCl~2~(C~9~H~24~N~4~)]ClO~4~ Acta Crystallographica Section C 50(2) (1994) 202-203

176,759

2020-10-21

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4,321,844

19.433

0.002

15.312

0.002

29.156

0.002

90

null

98.841

0.01

90

null

8,572.5

1.6

293

2

293

2

null

5

P 1 21/c 1

-P 2ybc

14

- C64 H104 N10 O8 Pd4 -

- C64.004 H96 N10 O8 Pd4 -

- C256.016 H384 N40 O32 Pd16 -

4

1

Tianle Zhang; Marc Drouin; Pierre D. Harvey

Preparation, Spectroscopic Characterization, and Theoretical Study of the [Pd4(dmb)4(PPh3)2]Cl2 Complex (dmb = 1,8-Diisocyano-p-menthane) and Its Organometallic Polymer {[Pd4(dmb)5](CH3CO2)2}n: The First Examples of 58-Electron Linear Pd4 Clusters

Inorganic Chemistry

1,999

38

1305

1315

10.1021/ic9811594

1.5406

CuKα

0.1655

0.0957

null

0.2931

0.3399

null

1.232

null

has coordinates,has disorder

Tianle Zhang; Marc Drouin; Pierre D. Harvey Preparation, Spectroscopic Characterization, and Theoretical Study of the [Pd4(dmb)4(PPh3)2]Cl2 Complex (dmb = 1,8-Diisocyano-p-menthane) and Its Organometallic Polymer {[Pd4(dmb)5](CH3CO2)2}n: The First Examples of 58-Electron Linear Pd4 Clusters Inorganic Chemistry 38 (1999...

179,321

2020-10-21

18:00:00

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2,009,429

9.454

0.001

27.61

0.01

14.762

0.003

90

null

94.26

0.01

90

null

3,842.6

1.6

298

3

null

6

P 1 21/n 1

-P 2yn

14

- C24 H54 Cl2 Cu2 N8 O14 -

- C27 H47 Cl2 Cu2 N8 O14 -

- C108 H188 Cl8 Cu8 N32 O56 -

4

1

AS1044

Tahirov, T.; Lu, T.-H.; Shu, K.; Chunmg, C.-S.; Huang, C.-C.; Hong, Y.-S.

A dinuclear copper(II) complex of deprotonated N,N'-bis(N-propylglycyl)ethylenediamine

Acta Crystallographica Section C

1,994

50

2

204

206

10.1107/S010827019300722X

0.71073

MoKα

null

0.058

null

0.061

null

1.77

null

has coordinates

Tahirov, T.; Lu, T.-H.; Shu, K.; Chunmg, C.-S.; Huang, C.-C.; Hong, Y.-S. A dinuclear copper(II) complex of deprotonated N,N'-bis(N-propylglycyl)ethylenediamine Acta Crystallographica Section C 50(2) (1994) 204-206

176,759

2020-10-21

18:00:00

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2,009,430

32.265

0.006

5.825

0.001

27.518

0.004

90

null

95.25

0.01

90

null

5,150.1

1.5

296

null

5

C 1 2/c 1

-C 2yc

null

- C30 H18 N3 O6 P3 -

- C240 H144 N24 O48 P24 -

8

1

AS1057

Kubono, K.; Asaka, N.; Isoda, S.; Kobayashi, T.; Taga, T.

2,2,4,4,6,6-Tris(2,3-naphthylenedioxy)cyclotriphosphazene

Acta Crystallographica Section C

1,994

50

2

324

326

10.1107/S0108270193007772

1.54178

CuKα

null

0.0618

null

0.0524

null

5.79

null

has coordinates

Kubono, K.; Asaka, N.; Isoda, S.; Kobayashi, T.; Taga, T. 2,2,4,4,6,6-Tris(2,3-naphthylenedioxy)cyclotriphosphazene Acta Crystallographica Section C 50(2) (1994) 324-326

301,791

2025-08-18

23:15:34

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2,009,431

10.07

0.001

15.925

0.001

15.582

0.002

115.032

0.009

102.59

0.02

78.09

0.01

2,191.2

0.4

296

null

296

null

3

P -1

-P 1

2

ap-8-bromo-1,4-dimethyl-9-(2-methylbenzyl)triptycene

ap-8-bromo-1,4-dimethyl-9-(2-methylbenzyl)-9,10-dihydro-9,10[1',2']- benzenoanthracene

- C30 H25 Br -

- C120 H100 Br4 -

4

2

AS1064

Nemoto, Takashi; Ono, Taizo; Uchida, Akira; Ohashi, Yuji; Yamamoto, Gaku

Structures of ap-8-bromo-1,4-dimethyl-9-(2-methylbenzyl)triptycene and sc*(9S*)-8-bromo-1,4-dimethyl-9-(2-methylbenzyl)triptycene

Acta Crystallographica Section C

1,994

50

2

297

300

10.1107/S0108270193008467

1.54178

CuKα

null

0.061

null

0.068

null

0.874

null

has coordinates

Nemoto, Takashi; Ono, Taizo; Uchida, Akira; Ohashi, Yuji; Yamamoto, Gaku Structures of ap-8-bromo-1,4-dimethyl-9-(2-methylbenzyl)triptycene and sc*(9S*)-8-bromo-1,4-dimethyl-9-(2-methylbenzyl)triptycene Acta Crystallographica Section C 50(2) (1994) 297-300

301,791

2025-08-18

23:15:34

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2,009,432

27.746

0.002

27.746

0.002

11.817

0.003

90

null

90

null

90

null

9,097

2

296

null

296

null

3

I 41/a :2

-I 4ad

88

sc*(9S*)-8-bromo-1,4-dimethyl-9-(2-methylbenzyl)triptycene

sc*(9S*)-8-bromo-1,4-dimethyl-9-(2-methylbenzyl)-9,10-dihydro-9,10[1',2']- benzenoanthracene

- C30 H25 Br -

- C480 H400 Br16 -

16

1

AS1064

Nemoto, Takashi; Ono, Taizo; Uchida, Akira; Ohashi, Yuji; Yamamoto, Gaku

Structures of ap-8-bromo-1,4-dimethyl-9-(2-methylbenzyl)triptycene and sc*(9S*)-8-bromo-1,4-dimethyl-9-(2-methylbenzyl)triptycene

Acta Crystallographica Section C

1,994

50

2

297

300

10.1107/S0108270193008467

0.71069

MoKα

null

0.083

null

0.063

null

1.68

null

has coordinates

Nemoto, Takashi; Ono, Taizo; Uchida, Akira; Ohashi, Yuji; Yamamoto, Gaku Structures of ap-8-bromo-1,4-dimethyl-9-(2-methylbenzyl)triptycene and sc*(9S*)-8-bromo-1,4-dimethyl-9-(2-methylbenzyl)triptycene Acta Crystallographica Section C 50(2) (1994) 297-300

301,791

2025-08-18

23:15:34

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2,009,433

22.126

0.002

22.126

0.002

10.29

0.002

90

null

90

null

120

null

4,362.7

1

298

null

298

null

6

R -3 :H

-R 3

148

- C30 H33 N6 O40 P W12 -

- C30 N6 O39.3334 P0.1667 W12 -

- C90 N18 O118 P0.5001 W36 -

3

0.166667

AS1071

Hashimoto, Masato; Misono, Makoto

[(C~5~H~5~N)~2~H]~3~[PW~12~O~40~]

Acta Crystallographica Section C

1,994

50

2

231

233

10.1107/S010827019300825X

0.71069

MoKα

null

0.057

null

0.056

null

1.003

null

has coordinates

Hashimoto, Masato; Misono, Makoto [(C~5~H~5~N)~2~H]~3~[PW~12~O~40~] Acta Crystallographica Section C 50(2) (1994) 231-233

176,759

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4,321,843

29.812

0.005

29.812

0.005

11.484

0.003

90

null

90

null

120

null

8,839

3

293

2

293

2

null

6

R -3 :H

-R 3

148

- C17 H15 Cu F6 N4 P -

- C306 H270 Cu18 F108 N72 P18 -

18

1

Naohide Matsumoto; Yuri Motoda; Toshihiro Matsuo; Toshio Nakashima; Nazzareno Re; Francoise Dahan; Jean-Pierre Tuchagues

pH-Dependent Monomer ←→ Oligomer Interconversion of Copper(II) Complexes with N-(2-R-imidazol-4-ylmethylidene)-2-aminoethylpyridine (R = Methyl, Phenyl)

Inorganic Chemistry

1,999

38

1165

1173

10.1021/ic981158b

0.71073

MoKα

0.0436

0.0363

null

0.0672

0.0624

null

1.064

1.095

null

has coordinates

Naohide Matsumoto; Yuri Motoda; Toshihiro Matsuo; Toshio Nakashima; Nazzareno Re; Francoise Dahan; Jean-Pierre Tuchagues pH-Dependent Monomer ←→ Oligomer Interconversion of Copper(II) Complexes with N-(2-R-imidazol-4-ylmethylidene)-2-aminoethylpyridine (R = Methyl, Phenyl) Inorganic Chemistry 38 (1999) 1165-1173

301,838

2025-08-20

22:17:34

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2,009,434

12.021

0.001

40.218

0.005

6.171

0.001

90

null

90

null

90

null

2,983.4

0.7

296

null

296

null

4

P 21 21 21

P 2ac 2ab

19

(22R)-22-methylchola-5,23-diene-3β-oxy-tert-butyldimethylsilane

- C31 H54 O Si -

- C124 H216 O4 Si4 -

4

1

AS1074

Uchida, Akira; Ohashi, Yuji; Arai, Masayuki; Nakamura, Eiichi

(22R)-3β-tert-Butyldimethylsilyloxy-22-methylchola-5,23-diene

Acta Crystallographica Section C

1,994

50

2

259

260

10.1107/S0108270193008261

1.54184

CuKα

null

0.068

null

0.108

null

0.723

null

has coordinates

Uchida, Akira; Ohashi, Yuji; Arai, Masayuki; Nakamura, Eiichi (22R)-3β-tert-Butyldimethylsilyloxy-22-methylchola-5,23-diene Acta Crystallographica Section C 50(2) (1994) 259-260

301,791

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2,009,435

14.429

0.003

20.995

0.01

17.047

0.008

90

null

107.75

0.03

90

null

4,918

4

293

null

5

P 1 21/n 1

-P 2yn

14

- C48 H74 Au B P2 -

- C51 H20 Au B P2 -

- C204 H80 Au4 B4 P8 -

4

1

BR1037

Staples, R.J.; Fackler, J.P.Jr; Khan, N.I.; Winpenny, R.E.P.

Bis(tri-n-butylphosphino)gold(I) tetraphenylborate

Acta Crystallographica Section C

1,994

50

2

191

193

10.1107/S0108270193007279

0.71073

MoKα

null

0.0543

null

0.0612

null

1.31

null

has coordinates

Staples, R.J.; Fackler, J.P.Jr; Khan, N.I.; Winpenny, R.E.P. Bis(tri-n-butylphosphino)gold(I) tetraphenylborate Acta Crystallographica Section C 50(2) (1994) 191-193

278,324

2022-10-03

14:41:53

#------------------------------------------------------------------------------ #$Date: 2022-10-03 17:40:12 +0300 (Mon, 03 Oct 2022) $ #$Revision: 278324 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/94/2009435.cif $ #-------------------------------------------------------------------...

2,009,436

7.3983

0.0007

9.433

0.001

10.825

0.001

93.231

0.008

107.931

0.007

99.92

0.008

703.18

0.13

298

null

5

P 1

1

- C26 H48 Cl2 P2 Pd -

1

BR1038

Ganguly, S.; Mague, J.T.; Roundhill, D.M.

cis-Dichloro[1,2-bis(dicyclohexylphosphino)ethane]palladium(II)

Acta Crystallographica Section C

1,994

50

2

217

219

10.1107/S0108270193007553

0.71073

MoKα

null

0.022

null

0.03

null

1.068

null

has coordinates

Ganguly, S.; Mague, J.T.; Roundhill, D.M. cis-Dichloro[1,2-bis(dicyclohexylphosphino)ethane]palladium(II) Acta Crystallographica Section C 50(2) (1994) 217-219

278,201

2022-09-27

0:27:37

#------------------------------------------------------------------------------ #$Date: 2022-09-27 03:27:33 +0300 (Tue, 27 Sep 2022) $ #$Revision: 278201 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/94/2009436.cif $ #-------------------------------------------------------------------...

2,009,437

18.914

0.004

14.345

0.001

8.622

0.001

90

null

90

null

90

null

2,339.3

0.6

294

null

294

null

4

P 21 21 21

P 2ac 2ab

19

Dimethyl 9-[(S)-(-)-N-acetylalanyloxy]methyl- 9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylate

- C26 H25 N O7 -

- C104 H100 N4 O28 -

4

1

BR1047

Pokkuluri, Phani Raj; Trotter, James

Dimethyl 9-[(S)-(–)-N-acetylalanyloxy]methyl-9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylate

Acta Crystallographica Section C

1,994

50

2

276

278

10.1107/S0108270193008881

1.5418

CopperKα

0.087

0.038

null

0.051

0.048

null

1.39

null

has coordinates

Pokkuluri, Phani Raj; Trotter, James Dimethyl 9-[(S)-(–)-N-acetylalanyloxy]methyl-9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylate Acta Crystallographica Section C 50(2) (1994) 276-278

301,791

2025-08-18

23:15:34

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2,009,438

8.1129

0.0009

13.1445

0.0009

15.646

0.001

90

null

98.162

0.008

90

null

1,651.6

0.2

294

null

294

null

3

P 1 21/n 1

-P 2yn

14

8b-Methyl 4b-(1-hydroxyethyl)-4b,8b,8c,8d-tetrahydrodibenzo [a,f]cyclopropa[cd]pentalene-8b,8c-dicarboxylate carbolactone

- C21 H16 O4 -

- C84 H64 O16 -

4

1

BR1048

Pokkuluri, Phani Raj; Trotter, James

Structure of a cyclopropapentalene photolysis product of a dibenzobarrelene ester lactone

Acta Crystallographica Section C

1,994

50

2

281

283

10.1107/S0108270193008893

1.5418

CopperKα

0.072

0.042

null

0.065

null

1.96

null

has coordinates

Pokkuluri, Phani Raj; Trotter, James Structure of a cyclopropapentalene photolysis product of a dibenzobarrelene ester lactone Acta Crystallographica Section C 50(2) (1994) 281-283

301,791

2025-08-18

23:15:34

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2,009,439

9.6729

0.0003

10.5434

0.0003

7.3228

0.0002

99.85

0.003

109.361

0.002

98.229

0.003

677.96

0.04

294

null

294

null

3

P 1

1

α- and β-Pipitzol (1:1)

α-Pipitzol: [3R-(3α,3aβ,7β,8aα)]-1,2,3,7,8,8a-hexahydro-5-hydroxy- 3,6,8,8-tetramethyl-4H-3a,7-methanoazulene-4,9-dione and β-Pipitzol: [3R-(3α,3aα,7α,8aβ)]-1,2,3,7,8,8a-hexahydro-5-hydroxy- 3,6,8,8-tetramethyl-4H-3a,7-methanoazulene-4,9-dione

- C30 H40 O6 -

1

CD1061

Evans, Stephen V.; Yee, Vivien C.; Garcia-Garibay, Miguel; Trotter, James

Structure of a mixed crystal of α- and β-pipitzol (1:1), C~15~H~20~O~3~.C~15~H~20~O~3~

Acta Crystallographica Section C

1,994

50

2

278

281

10.1107/S0108270193009060

1.5418

CuKα

0.055

0.044

null

0.054

null

2.3

null

has coordinates

Evans, Stephen V.; Yee, Vivien C.; Garcia-Garibay, Miguel; Trotter, James Structure of a mixed crystal of α- and β-pipitzol (1:1), C~15~H~20~O~3~.C~15~H~20~O~3~ Acta Crystallographica Section C 50(2) (1994) 278-281

301,791

2025-08-18

23:15:34

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2,009,440

7.845

0.001

8.16

0.001

16.84

0.001

90

null

90

null

90

null

1,078

0.2

123

null

123

null

4

P 21 21 21

P 2ac 2ab

19

1,3,5-Triethylperhydro-1,3,5-triazine-2,4,6-trione

- C9 H15 N3 O3 -

- C36 H60 N12 O12 -

4

1

CD1063

Hornish, Michael J.; Watt, William

1,3,5-Triethyl-1,3,5-triazine-2,4,6(1H,3H,5H)-trione, C~9~H~15~N~3~O~3~

Acta Crystallographica Section C

1,994

50

2

263

265

10.1107/S0108270193008212

1.5418

CuKα

0.044

0.035

null

0.081

0.078

null

1.57

null

has coordinates

Hornish, Michael J.; Watt, William 1,3,5-Triethyl-1,3,5-triazine-2,4,6(1H,3H,5H)-trione, C~9~H~15~N~3~O~3~ Acta Crystallographica Section C 50(2) (1994) 263-265

301,791

2025-08-18

23:15:34

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4,321,842

15.177

0.003

15.747

0.003

14.128

0.003

100.06

0.02

110.37

0.02

63.54

0.01

2,833

1.1

293.2

null

293.2

null

6

P -1

-P 1

2

- C17 H17 Cl Cu N4 O5 -

- C17 H15 Cl Cu N4 O4.33 -

- C102 H90 Cl6 Cu6 N24 O25.98 -

6

3

Naohide Matsumoto; Yuri Motoda; Toshihiro Matsuo; Toshio Nakashima; Nazzareno Re; Francoise Dahan; Jean-Pierre Tuchagues

pH-Dependent Monomer \λeftarrow→Oligomer Interconversion of Copper(II) Complexes with N-(2-R-imidazol-4-ylmethylidene)-2-aminoethylpyridine (R = Methyl, Phenyl)

Inorganic Chemistry

1,999

38

1165

1173

10.1021/ic981158b

0.7107

MoKα

0.0568

null

0.0873

null

1.236

null

has coordinates

Naohide Matsumoto; Yuri Motoda; Toshihiro Matsuo; Toshio Nakashima; Nazzareno Re; Francoise Dahan; Jean-Pierre Tuchagues pH-Dependent Monomer λeftarrow→Oligomer Interconversion of Copper(II) Complexes with N-(2-R-imidazol-4-ylmethylidene)-2-aminoethylpyridine (R = Methyl, Phenyl) Inorganic Chemistry 38 (1999) 1165-1173

176,467

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $ #$Revision: 176467 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/18/4321842.cif $ #-------------------------------------------------------------------...

2,009,441

11.258

0.004

12.464

0.005

13.175

0.004

84.13

0.03

80.95

0.03

62.83

0.03

1,623.3

1.1

295

null

6

P -1

-P 1

2

- C22 H48 Ba Cl2 N2 O12 -

- C44 H96 Ba2 Cl4 N4 O24 -

2

1

CR1021

William A. Pettit; Norman C. Baenziger

Barium (cryptand 222B)Cl~2~.6H~2~O

Acta Crystallographica Section C

1,994

50

2

221

224

10.1107/S0108270193009205

0.71073

MoKα

null

0.023

null

0.038

null

1.12

null

has coordinates

William A. Pettit; Norman C. Baenziger Barium (cryptand 222B)Cl~2~.6H~2~O Acta Crystallographica Section C 50(2) (1994) 221-224

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/94/2009441.cif $ #-------------------------------------------------------------------...

2,009,442

17.3557

0.0009

8.5626

0.0004

14.3847

0.0007

90

null

112.686

0.002

90

null

1,972.32

0.17

292

null

5

P 1 21/c 1

-P 2ybc

14

Bis(2-ethoxycarbonylamino-6-methylpyridine N-oxide)copper(II)

- C18 H22 Cu N4 O6 -

- C72 H88 Cu4 N16 O24 -

4

1

CR1043

West, Douglas X.; Zaluzec, Eugene J.; Pavkovic, Stephen F.

Bis(2-ethoxycarbonylamino-6-methylpyridine N-oxide)copper(II)

Acta Crystallographica Section C

1,994

50

2

173

175

10.1107/S0108270193009229

1.5418

CuKα

null

0.0628

null

0.0908

null

1.5361

null

has coordinates

West, Douglas X.; Zaluzec, Eugene J.; Pavkovic, Stephen F. Bis(2-ethoxycarbonylamino-6-methylpyridine N-oxide)copper(II) Acta Crystallographica Section C 50(2) (1994) 173-175

301,791

2025-08-18

23:15:34

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/94/2009442.cif $ #-------------------------------------------------------------------...

2,009,443

14.664

0.006

6.319

0.001

19.44

0.007

90

null

107.86

0.02

90

null

1,714.5

1

223

null

3

P 1 21/n 1

-P 2yn

14

2-hydroxy-6,7:9,10-cis,cis-diepoxy-1-oxaspiro[4.5]decan-8-one

- C9 H10 O5 -

- C72 H80 O40 -

8

2

CR1079

Haltiwanger, R. Curtis; Eggleston, Drake S.; McKillop, Andrew; Taylor, R.J.K.; Watson, R.J.; Lewis, Norman

Structure of a model for the aranorosin nucleus

Acta Crystallographica Section C

1,994

50

2

274

276

10.1107/S0108270193009266

0.71073

MoKα

null

0.06

null

0.074

null

1.095

null

has coordinates

Haltiwanger, R. Curtis; Eggleston, Drake S.; McKillop, Andrew; Taylor, R.J.K.; Watson, R.J.; Lewis, Norman Structure of a model for the aranorosin nucleus Acta Crystallographica Section C 50(2) (1994) 274-276

301,791

2025-08-18

23:15:34

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/94/2009443.cif $ #-------------------------------------------------------------------...

2,009,444

7.193

0.003

7.193

0.003

7.193

0.003

55.88

0.03

55.88

0.03

55.88

0.03

238

0.2

293

null

2

R -3 c :R

-P 3* 2n

167

- S3 Yb2 -

- S6 Yb4 -

2

0.166667

DU1006

El Fadli, Z.; Lemoine, P.; Guittard, M.; Tomas, A.

Structure du sulfur d'ytterbium, Yb~2~S~3~

Acta Crystallographica Section C

1,994

50

2

166

168

10.1107/S0108270193006705

0.71069

MoKα

null

0.029

null

0.034

null

0.29

null

has coordinates

El Fadli, Z.; Lemoine, P.; Guittard, M.; Tomas, A. Structure du sulfur d'ytterbium, Yb~2~S~3~ Acta Crystallographica Section C 50(2) (1994) 166-168

203,910

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-12-03 22:10:57 +0200 (Sun, 03 Dec 2017) $ #$Revision: 203910 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/94/2009444.cif $ #-------------------------------------------------------------------...

2,009,445

7.652

0.007

10.481

0.005

11.076

0.006

67.37

0.04

71.67

0.06

75.93

0.06

770.7

1

293

null

6

P -1

-P 1

2

- C9 H18 Cl2 N6 O S -

- C18 H36 Cl4 N12 O2 S2 -

2

1

DU1034

Cousson, A.; Nectoux, F.; Bachet, B.; Kokel, B.; Hubert-Habart, M.

Structure of 5-[(1-amidiniohydrazono)ethyl]-4-methyl-2-methylthio-3H^+^-pyrimidinium dichloride hydrate, C~19~H~16~N~6~S^2+^.2Cl^{-^}.H~2~O

Acta Crystallographica Section C

1,994

50

2

286

289

10.1107/S0108270193006638

1.5418

CuKα

null

0.073

null

0.079

null

0.92

null

has coordinates

Cousson, A.; Nectoux, F.; Bachet, B.; Kokel, B.; Hubert-Habart, M. Structure of 5-[(1-amidiniohydrazono)ethyl]-4-methyl-2-methylthio-3H^+^-pyrimidinium dichloride hydrate, C~19~H~16~N~6~S^2+^.2Cl^{-^}.H~2~O Acta Crystallographica Section C 50(2) (1994) 286-289

301,791

2025-08-18

23:15:34

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2,009,446

7.977

0.002

8.475

0.001

13.103

0.003

79.95

0.01

80.15

0.02

72.27

0.01

824.2

0.3

293

1

null

6

P -1

-P 1

2

- C14 H13 Cl4 N3 O Pt -

- C28 H26 Cl8 N6 O2 Pt2 -

2

1

DU1041

Viossat, B.; Nguyen-Huy, D.; Daran, J.C.; Lancelot, J.C.

Synthèse et structure du tétrachloroplatinate(II) de pyrido[2,3-h]pyrrolo[1,2-a]quinoxalinium monohydrate, [C~14~H~11~N~3~][PtCl~4~].H~2~O

Acta Crystallographica Section C

1,994

50

2

209

211

10.1107/S0108270193006237

0.7107

MoKα

null

0.021

null

0.023

null

1.8

null

has coordinates

Viossat, B.; Nguyen-Huy, D.; Daran, J.C.; Lancelot, J.C. Synthèse et structure du tétrachloroplatinate(II) de pyrido[2,3-h]pyrrolo[1,2-a]quinoxalinium monohydrate, [C~14~H~11~N~3~][PtCl~4~].H~2~O Acta Crystallographica Section C 50(2) (1994) 209-211

278,247

2022-09-28

15:09:32

#------------------------------------------------------------------------------ #$Date: 2022-09-28 18:08:17 +0300 (Wed, 28 Sep 2022) $ #$Revision: 278247 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/94/2009446.cif $ #-------------------------------------------------------------------...

4,321,841

7.6659

0.0007

16.2872

0.001

14.1033

0.001

90

null

95.058

0.007

90

null

1,754

0.2

293

2

293

2

null

5

P 1 21/c 1

-P 2ybc

14

- C17 H16 Cl2 Cu N4 -

- C68 H64 Cl8 Cu4 N16 -

4

1

Naohide Matsumoto; Yuri Motoda; Toshihiro Matsuo; Toshio Nakashima; Nazzareno Re; Francoise Dahan; Jean-Pierre Tuchagues

pH-Dependent Monomer \λeftarrow→Oligomer Interconversion of Copper(II) Complexes with N-(2-R-imidazol-4-ylmethylidene)-2-aminoethylpyridine (R = Methyl, Phenyl)

Inorganic Chemistry

1,999

38

1165

1173

10.1021/ic981158b

0.71073

MoKα

0.0387

0.0222

null

0.0647

0.0572

null

1.038

1.044

null

has coordinates

Naohide Matsumoto; Yuri Motoda; Toshihiro Matsuo; Toshio Nakashima; Nazzareno Re; Francoise Dahan; Jean-Pierre Tuchagues pH-Dependent Monomer λeftarrow→Oligomer Interconversion of Copper(II) Complexes with N-(2-R-imidazol-4-ylmethylidene)-2-aminoethylpyridine (R = Methyl, Phenyl) Inorganic Chemistry 38 (1999) 1165-1173

179,321

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:18:08 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179321 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/18/4321841.cif $ #-------------------------------------------------------------------...

2,009,447

7.302

0.004

32.43

0.01

5.666

0.004

90

null

103.43

0.02

90

null

1,305

1.2

293

null

5

P 1 21/n 1

-P 2yn

14

- C10 H15 Cl N6 S -

- C40 H60 Cl4 N24 S4 -

4

1

DU1043

Cousson, A.; Nectoux, F.; Bachet, B.; Kokel, B.; Hubert-Habart, M.

Structure of 2-methylthio-7,8-dihydroquinazolin-5(6H)-one amidinohydrazone hydrochloride, C~10~H~15~N~6~S^+^.Cl^{-^}

Acta Crystallographica Section C

1,994

50

2

289

291

10.1107/S0108270193006626

1.5418

CuKα

null

0.0514

null

0.0525

null

3.1

null

has coordinates

Cousson, A.; Nectoux, F.; Bachet, B.; Kokel, B.; Hubert-Habart, M. Structure of 2-methylthio-7,8-dihydroquinazolin-5(6H)-one amidinohydrazone hydrochloride, C~10~H~15~N~6~S^+^.Cl^{-^} Acta Crystallographica Section C 50(2) (1994) 289-291

301,791

2025-08-18

23:15:34

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/94/2009447.cif $ #-------------------------------------------------------------------...

2,009,448

15.388

0.008

3.6139

0.0003

10.088

0.004

90

null

109.94

0.02

90

null

527.4

0.4

293

null

3

C 1 2/m 1

-C 2y

null

- Ag0.4 O5 V2 -

- Ag0.4 O4.83333 V2 -

- Ag2.4 O29 V12 -

6

0.75

DU1054

Déramond, E.; Savariault, J.-M.; Galy, J.

Silver insertion mode in β-Ag~x~V~2~O~5~ tunnel structure

Acta Crystallographica Section C

1,994

50

2

164

166

10.1107/S0108270193007802

0.71069

MoKα

null

0.0447

null

0.0498

null

1.067

null

has coordinates

Déramond, E.; Savariault, J.-M.; Galy, J. Silver insertion mode in β-Ag~x~V~2~O~5~ tunnel structure Acta Crystallographica Section C 50(2) (1994) 164-166

176,435

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/94/2009448.cif $ #-------------------------------------------------------------------...

2,009,449

8.792

0.004

15.822

0.003

10.979

0.003

90

null

106.23

0.02

90

null

1,466.4

0.8

153

null

5

P 1 21/n 1

-P 2yn

14

- C34 H32 Fe O4 P2 -

- C68 H64 Fe2 O8 P4 -

2

0.5

DU1055

Munyejabo, V.; Postel, M.; Roustan, J.L.; Bensimon, C.

1,1'-Bis(diphenylphosphine oxide)ferrocene dihydrate

Acta Crystallographica Section C

1,994

50

2

224

226

10.1107/S0108270193008273

0.71073

MoKα

null

0.04

null

0.023

null

3.15

null

has coordinates

Munyejabo, V.; Postel, M.; Roustan, J.L.; Bensimon, C. 1,1'-Bis(diphenylphosphine oxide)ferrocene dihydrate Acta Crystallographica Section C 50(2) (1994) 224-226

278,324

2022-10-03

14:41:53

#------------------------------------------------------------------------------ #$Date: 2022-10-03 17:40:12 +0300 (Mon, 03 Oct 2022) $ #$Revision: 278324 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/94/2009449.cif $ #-------------------------------------------------------------------...

2,009,450

7.134

0.003

20.971

0.006

7.635

0.002

90

null

122.28

0.01

90

null

965.7

0.6

293

null

293

null

6

P 1 21/a 1

-P 2yab

14

trans-dichlorobis(metronidazole)palladium(II)

- C12 H18 Cl2 N6 O6 Pd -

- C24 H36 Cl4 N12 O12 Pd2 -

2

0.5

GR1010

De Bondt, Hendrik L.; Blaton, N.M.; Peeters, O.M.; De Ranter, C.J.

trans-Dichlorobis(metronidazole)palladium(II), [PdCl~2~(C~6~H~9~N~3~O~3~)~2~]

Acta Crystallographica Section C

1,994

50

2

180

181

10.1107/S0108270193006882

0.71073

MoKα

null

0.031

null

0.034

null

1.252

null

has coordinates

De Bondt, Hendrik L.; Blaton, N.M.; Peeters, O.M.; De Ranter, C.J. trans-Dichlorobis(metronidazole)palladium(II), [PdCl~2~(C~6~H~9~N~3~O~3~)~2~] Acta Crystallographica Section C 50(2) (1994) 180-181

176,435

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/94/2009450.cif $ #-------------------------------------------------------------------...

2,009,451

23.184

0.007

6.17

0.01

7.409

0.009

90

null

79.868

0.009

90

null

1,043

2

295

null

4

C 1 2/c 1

-C 2yc

null

- C13 H8 F2 O -

- C52 H32 F8 O4 -

4

0.5

HA1056

Maginn, S.J.; Davey, R.J.

4,4'-Difluorobenzophenone

Acta Crystallographica Section C

1,994

50

2

254

255

10.1107/S0108270193007437

0.71069

MoKα

null

0.0465

null

0.0465

null

0.74

null

has coordinates

Maginn, S.J.; Davey, R.J. 4,4'-Difluorobenzophenone Acta Crystallographica Section C 50(2) (1994) 254-255

301,791

2025-08-18

23:15:34

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/94/2009451.cif $ #-------------------------------------------------------------------...

2,009,452

11.575

0.003

14.148

0.0013

17.132

0.003

77.97

0.01

70.28

0.02

70.56

0.01

2,475.8

0.9

297

null

3

P -1

-P 1

2

- C14 H20 O -

- C112 H160 O8 -

8

4

HH1071

Garcia, J.G.; Morales, G.; Fronczek, F.R.; McLaughlin, M.L.

The structures of endo-13-syn-methyltricyclo[8.2.1.0^2,9^]trideca-5,11-dien-13-anti-ol, endo-13-syn-methyltricyclo[8.2.1.0^2,9^]trideca-5,11-dien-13-anti-yl acetate and its corresponding endo-endo-anti Diels–Alder adducts with 1,2,3,4-tetrachloro-5,5-dimeth...

Acta Crystallographica Section C

1,994

50

2

317

324

10.1107/S0108270193007061

0.71073

MoKα

null

0.063

null

0.066

null

2.839

null

has coordinates

Garcia, J.G.; Morales, G.; Fronczek, F.R.; McLaughlin, M.L. The structures of endo-13-syn-methyltricyclo[8.2.1.0^2,9^]trideca-5,11-dien-13-anti-ol, endo-13-syn-methyltricyclo[8.2.1.0^2,9^]trideca-5,11-dien-13-anti-yl acetate and its corresponding endo-endo-anti...

278,247

2022-09-28

15:09:32

#------------------------------------------------------------------------------ #$Date: 2022-09-28 18:08:17 +0300 (Wed, 28 Sep 2022) $ #$Revision: 278247 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/94/2009452.cif $ #-------------------------------------------------------------------...

4,321,840

13.773

0.002

8.245

0.002

13.861

0.002

90

null

110.1

0.01

90

null

1,478.2

0.5

20

null

20

null

6

P 1 21/n 1

-P 2yn

14

- C12 H16 Cl2 Cu N4 O -

- C48 H56 Cl8 Cu4 N16 O4 -

null

Naohide Matsumoto; Yuri Motoda; Toshihiro Matsuo; Toshio Nakashima; Nazzareno Re; Francoise Dahan; Jean-Pierre Tuchagues

pH-Dependent Monomer \λeftarrow→Oligomer Interconversion of Copper(II) Complexes with N-(2-R-imidazol-4-ylmethylidene)-2-aminoethylpyridine (R = Methyl, Phenyl)

Inorganic Chemistry

1,999

38

1165

1173

10.1021/ic981158b

0.7107

MoKalpha

null

0.029

null

0.033

null

4.28

null

has coordinates

Naohide Matsumoto; Yuri Motoda; Toshihiro Matsuo; Toshio Nakashima; Nazzareno Re; Francoise Dahan; Jean-Pierre Tuchagues pH-Dependent Monomer λeftarrow→Oligomer Interconversion of Copper(II) Complexes with N-(2-R-imidazol-4-ylmethylidene)-2-aminoethylpyridine (R = Methyl, Phenyl) Inorganic Chemistry 38 (1999) 1165-1173

179,321

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:18:08 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179321 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/18/4321840.cif $ #-------------------------------------------------------------------...

2,009,453

8.8764

0.0004

18.1005

0.0014

8.9616

0.0005

90

null

107.514

0.004

90

null

1,373.09

0.15

295

null

3

P 1 21/n 1

-P 2yn

14

- C16 H22 O2 -

- C16 H25 O2 -

- C64 H100 O8 -

4

1

HH1071

Garcia, J.G.; Morales, G.; Fronczek, F.R.; McLaughlin, M.L.

The structures of endo-13-syn-methyltricyclo[8.2.1.0^2,9^]trideca-5,11-dien-13-anti-ol, endo-13-syn-methyltricyclo[8.2.1.0^2,9^]trideca-5,11-dien-13-anti-yl acetate and its corresponding endo-endo-anti Diels–Alder adducts with 1,2,3,4-tetrachloro-5,5-dimeth...

Acta Crystallographica Section C

1,994

50

2

317

324

10.1107/S0108270193007061

0.71073

MoKα

null

0.064

null

0.055

null

2.299

null

has coordinates

Garcia, J.G.; Morales, G.; Fronczek, F.R.; McLaughlin, M.L. The structures of endo-13-syn-methyltricyclo[8.2.1.0^2,9^]trideca-5,11-dien-13-anti-ol, endo-13-syn-methyltricyclo[8.2.1.0^2,9^]trideca-5,11-dien-13-anti-yl acetate and its corresponding endo-endo-anti...

278,324

2022-10-03

14:41:53

#------------------------------------------------------------------------------ #$Date: 2022-10-03 17:40:12 +0300 (Mon, 03 Oct 2022) $ #$Revision: 278324 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/94/2009453.cif $ #-------------------------------------------------------------------...

2,009,454

12.9664

0.0009

11.3814

0.001

16.6962

0.0014

90

null

105.549

0.006

90

null

2,373.8

0.3

296

null

4

P 1 21/c 1

-P 2ybc

null

- C23 H28 Cl4 O4 -

- C92 H112 Cl16 O16 -

4

1

HH1071

Garcia, J.G.; Morales, G.; Fronczek, F.R.; McLaughlin, M.L.

The structures of endo-13-syn-methyltricyclo[8.2.1.0^2,9^]trideca-5,11-dien-13-anti-ol, endo-13-syn-methyltricyclo[8.2.1.0^2,9^]trideca-5,11-dien-13-anti-yl acetate and its corresponding endo-endo-anti Diels–Alder adducts with 1,2,3,4-tetrachloro-5,5-dimeth...

Acta Crystallographica Section C

1,994

50

2

317

324

10.1107/S0108270193007061

0.71073

MoKα

null

0.039

null

0.039

null

1.58

null

has coordinates

Garcia, J.G.; Morales, G.; Fronczek, F.R.; McLaughlin, M.L. The structures of endo-13-syn-methyltricyclo[8.2.1.0^2,9^]trideca-5,11-dien-13-anti-ol, endo-13-syn-methyltricyclo[8.2.1.0^2,9^]trideca-5,11-dien-13-anti-yl acetate and its corresponding endo-endo-anti...

301,791

2025-08-18

23:15:34

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/94/2009454.cif $ #-------------------------------------------------------------------...

4,321,839

13.8831

0.0001

16.7261

0.0002

18.7014

0.0002

110.234

0.0004

97.9111

0.0006

102.531

0.0006

3,868.89

0.07

298

2

298

2

null

8

P -1

-P 1

2

- C75 H63 F3 Mn4 N O19 P6 S -

- C150 H126 F6 Mn8 N2 O38 P12 S2 -

2

1

Wolfgang F. Ruettinger; Douglas M. Ho; G. Charles Dismukes

Protonation and Dehydration Reactions of the Mn4O4L6 Cubane and Synthesis and Crystal Structure of the Oxidized Cubane [Mn4O4L6]+: A Model for the Photosynthetic Water Oxidizing Complex

Inorganic Chemistry

1,999

38

1036

1037

10.1021/ic981145y

0.71074

MoKα

0.0604

0.0403

null

0.1155

0.094

null

1.041

0.984

null

has coordinates

Wolfgang F. Ruettinger; Douglas M. Ho; G. Charles Dismukes Protonation and Dehydration Reactions of the Mn4O4L6 Cubane and Synthesis and Crystal Structure of the Oxidized Cubane [Mn4O4L6]+: A Model for the Photosynthetic Water Oxidizing Complex Inorganic Chemistry 38 (1999) 1036-1037

301,838

2025-08-20

22:17:34

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2,009,455

13.0246

0.0006

10.7445

0.0006

16.8103

0.0009

90

null

104.017

0.004

90

null

2,282.4

0.2

295

null

4

P 1 21/c 1

-P 2ybc

null

- C21 H22 Cl6 O2 -

- C84 H88 Cl24 O8 -

4

1

HH1071

Garcia, J.G.; Morales, G.; Fronczek, F.R.; McLaughlin, M.L.

The structures of endo-13-syn-methyltricyclo[8.2.1.0^2,9^]trideca-5,11-dien-13-anti-ol, endo-13-syn-methyltricyclo[8.2.1.0^2,9^]trideca-5,11-dien-13-anti-yl acetate and its corresponding endo-endo-anti Diels–Alder adducts with 1,2,3,4-tetrachloro-5,5-dimeth...

Acta Crystallographica Section C

1,994

50

2

317

324

10.1107/S0108270193007061

0.71073

MoKα

null

0.033

null

0.033

null

1.519

null

has coordinates

Garcia, J.G.; Morales, G.; Fronczek, F.R.; McLaughlin, M.L. The structures of endo-13-syn-methyltricyclo[8.2.1.0^2,9^]trideca-5,11-dien-13-anti-ol, endo-13-syn-methyltricyclo[8.2.1.0^2,9^]trideca-5,11-dien-13-anti-yl acetate and its corresponding endo-endo-anti...

301,791

2025-08-18

23:15:34

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/94/2009455.cif $ #-------------------------------------------------------------------...

2,009,456

16.748

0.001

27.619

0.003

7.962

0.001

90

null

90

null

90

null

3,682.9

0.6

295

2

null

5

P b c a

-P 2ac 2ab

null

- C14 H17 Cl O8 P2 -

- C112 H136 Cl8 O64 P16 -

8

1

HU1041

Olszak, T.A.; Stepien, A.J.; Renz, M.; Grabowski, M.J.

2H-1-Benzopyrans. I. (E)-4-Chloro-2-[dimethoxyphosphoryl(dimethoxyphosphoryloxy)methylene]-2H-1-benzopyran

Acta Crystallographica Section C

1,994

50

2

284

286

10.1107/S0108270193010145

1.54178

Cu

null

0.049

null

0.0451

null

1.41

null

has coordinates

Olszak, T.A.; Stepien, A.J.; Renz, M.; Grabowski, M.J. 2H-1-Benzopyrans. I. (E)-4-Chloro-2-[dimethoxyphosphoryl(dimethoxyphosphoryloxy)methylene]-2H-1-benzopyran Acta Crystallographica Section C 50(2) (1994) 284-286

301,791

2025-08-18

23:15:34

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2,009,457

15.57

0.003

16.579

0.001

11.897

0.001

90

null

90

null

90

null

3,071

0.7

295

2

null

5

P n c a

-P 2a 2n

60

- C13 H23 N O7 S -

- C13 H24 N O7 S0.5 -

- C104 H192 N8 O56 S4 -

8

1

HU1042

Olszak, T.A.; Grabowski, M.J.; Brzezińska, E.

Potential β-blockers. I. 2-tert-Butyl-1,2,3,4-tetrahydro-4,6,8-trihydroxyisoquinolinium sulfate dihydrate

Acta Crystallographica Section C

1,994

50

2

283

284

10.1107/S0108270193010157

1.54178

CuKα

null

0.0434

null

0.042

null

1.08

null

has coordinates

Olszak, T.A.; Grabowski, M.J.; Brzezińska, E. Potential β-blockers. I. 2-tert-Butyl-1,2,3,4-tetrahydro-4,6,8-trihydroxyisoquinolinium sulfate dihydrate Acta Crystallographica Section C 50(2) (1994) 283-284

208,226

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2018-06-09 06:14:12 +0300 (Sat, 09 Jun 2018) $ #$Revision: 208226 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/94/2009457.cif $ #-------------------------------------------------------------------...

4,321,838

22.384

0.004

13.827

0.004

22.186

0.003

90

null

90.7

0.02

90

null

6,866

3

293

2

293

2

null

7

C 1 2 1

C 2y

5

bis[tris(2,2'-bipyridine)osmium(II)] [hexacyanochromate(III)] chloride octahydrate

- C66 H48 Cl Cr N18 O8 Os2 -

- C264 H192 Cl4 Cr4 N72 O32 Os8 -

4

1

Takuhiro Otsuka; Naoto Takahashi; Naoki Fujigasaki; Akiko Sekine; Yuji Ohashi; Youkoh Kaizu

Crystal Structure and Energy Transfer in Double-Complex Salts Composed of Tris(2,2'-bipyridine)ruthenium(II) or Tris(2,2'-bipyridine)osmium(II) and Hexacyanochromate(III)

Inorganic Chemistry

1,999

38

1340

1347

10.1021/ic9810541

0.71073

MoKα

0.0812

0.0788

null

0.2075

0.193

null

1.072

null

has coordinates

Takuhiro Otsuka; Naoto Takahashi; Naoki Fujigasaki; Akiko Sekine; Yuji Ohashi; Youkoh Kaizu Crystal Structure and Energy Transfer in Double-Complex Salts Composed of Tris(2,2'-bipyridine)ruthenium(II) or Tris(2,2'-bipyridine)osmium(II) and Hexacyanochromate(III) Inorganic Chemistry 38 (1999) 1340-1347

179,321

2020-10-21

18:00:00

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2,009,458

37.941

0.008

5

0.003

18.454

0.002

90

null

118.01

0.03

90

null

3,091

2

296

null

296

null

4

C 1 2/c 1

-C 2yc

15

(E)-1,3-Dibenzoyl-2-trifluoromethylpropene

- C18 H13 F3 O2 -

- C18 H13 F6 O2 -

- C144 H104 F48 O16 -

8

1

HU1059

Pritchard, R. G.; Tajammal, S.; Tipping, A. E.

(E)-1,3-Dibenzoyl-2-trifluoromethylpropene and 3-benzoyl-6-phenyl-2,4-bis(trifluoromethyl)-2H-pyran-2-ol: novel products from the oxidation of 1-phenyl-4,4,4-trifluorobut-2-yn-1-ol with active manganese(IV) oxide

Acta Crystallographica Section C

1,994

50

2

294

297

10.1107/S0108270193009047

0.71069

MoKα

null

0.0431

null

0.0245

null

2.461

null

has coordinates

Pritchard, R. G.; Tajammal, S.; Tipping, A. E. (E)-1,3-Dibenzoyl-2-trifluoromethylpropene and 3-benzoyl-6-phenyl-2,4-bis(trifluoromethyl)-2H-pyran-2-ol: novel products from the oxidation of 1-phenyl-4,4,4-trifluorobut-2-yn-1-ol with active manganese(IV) oxide Acta Crystallographica Section C 50(2) (1994) ...

176,435

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/94/2009458.cif $ #-------------------------------------------------------------------...

2,009,459

11.201

0.005

19.601

0.004

8.368

0.003

90

null

90

null

90

null

1,837.2

1.1

296

null

296

null

4

P n a 21

P 2c -2n

33

3-Benzoyl-2-hydroxy-6-phenyl-2,4-bis(trifluoromethyl)-α-pyran

- C20 H12 F6 O3 -

- C80 H48 F24 O12 -

4

1

HU1059

Pritchard, R. G.; Tajammal, S.; Tipping, A. E.

(E)-1,3-Dibenzoyl-2-trifluoromethylpropene and 3-benzoyl-6-phenyl-2,4-bis(trifluoromethyl)-2H-pyran-2-ol: novel products from the oxidation of 1-phenyl-4,4,4-trifluorobut-2-yn-1-ol with active manganese(IV) oxide

Acta Crystallographica Section C

1,994

50

2

294

297

10.1107/S0108270193009047

0.71069

MoKα

null

0.0445

null

0.0393

null

2.6

null

has coordinates

Pritchard, R. G.; Tajammal, S.; Tipping, A. E. (E)-1,3-Dibenzoyl-2-trifluoromethylpropene and 3-benzoyl-6-phenyl-2,4-bis(trifluoromethyl)-2H-pyran-2-ol: novel products from the oxidation of 1-phenyl-4,4,4-trifluorobut-2-yn-1-ol with active manganese(IV) oxide Acta Crystallographica Section C 50(2) (1994) ...

301,791

2025-08-18

23:15:34

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2,009,460

23.971

0.002

23.971

0.002

14.398

0.002

90

null

90

null

90

null

8,273.2

1.5

293

null

6

I 41/a

-I 4ad

null

- C7 H26 B18 Co N O2 -

- C112 H416 B288 Co16 N16 O32 -

16

null

KA1022

Císařová, I.; Malý, K.; Hummel, L.

Bridged bis(dicarbadodecaborane)cobalt(III)

Acta Crystallographica Section C

1,994

50

2

198

200

10.1107/S0108270193007127

0.71073

MoKα

null

0.051

null

0.064

null

1.33

null

has coordinates

Císařová, I.; Malý, K.; Hummel, L. Bridged bis(dicarbadodecaborane)cobalt(III) Acta Crystallographica Section C 50(2) (1994) 198-200

176,759

2020-10-21

18:00:00

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4,321,837

9.941

0.002

11.615

0.002

14.34

0.003

99.11

0.03

103.27

0.03

106.61

0.03

1,499.1

0.7

130

2

130

2

null

7

P -1

-P 1

2

- C60 H48 Cl8 I4 N4 O4 Zn -

1

0.5

Noëlle Ehlinger; W. Robert Scheidt

Structure and Apparent Reactivity of the π-Cation Radical Derivatives of Zinc and Copper 5,10,15,20-Tetra(2,6-dichlorophenyl)porphyrinate

Inorganic Chemistry

1,999

38

1316

1321

10.1021/ic981041n

0.71073

MoKα

0.2453

0.1178

null

0.254

0.3356

null

1.013

null

has coordinates

Noëlle Ehlinger; W. Robert Scheidt Structure and Apparent Reactivity of the π-Cation Radical Derivatives of Zinc and Copper 5,10,15,20-Tetra(2,6-dichlorophenyl)porphyrinate Inorganic Chemistry 38 (1999) 1316-1321

179,321

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:18:08 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179321 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/18/4321837.cif $ #-------------------------------------------------------------------...

2,009,461

15.829

0.004

10.29

0.003

8.529

0.005

90

null

90

null

90

null

1,389.2

1

293

null

4

P 21 21 21

P 2ac 2ab

19

- C17 H13 N3 O2 -

- C68 H52 N12 O8 -

4

1

KA1033

Karolak-Wojciechowska, J.; Kieć-Kononowicz, K.

5,5-Diphenyl-1H,2H,5H-imidazo[1,2-a]imidazole-3,6-dione

Acta Crystallographica Section C

1,994

50

2

300

302

10.1107/S0108270193008029

1.54178

CuKα

null

0.032

null

0.036

null

1.17

null

has coordinates

Karolak-Wojciechowska, J.; Kieć-Kononowicz, K. 5,5-Diphenyl-1H,2H,5H-imidazo[1,2-a]imidazole-3,6-dione Acta Crystallographica Section C 50(2) (1994) 300-302

301,791

2025-08-18

23:15:34

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2,009,462

6.691

0.001

15.657

0.001

42.657

null

90

null

90

null

90

null

4,468.8

0.7

293

null

3

P 21 21 21

P 2ac 2ab

null

- C26 H36 O2 -

- C208 H288 O16 -

8

2

KA1038

Stanković, S.; Miljković, D.; Medić-Mijačević, L.; Gaši, K.; Courseille, C.

17α-Benzyl-3β,17β-dihydroxy-5-androstene

Acta Crystallographica Section C

1,994

50

2

312

314

10.1107/S0108270193007681

1.54247

CuKα

null

0.051

null

0.046

null

5.66

null

has coordinates

Stanković, S.; Miljković, D.; Medić-Mijačević, L.; Gaši, K.; Courseille, C. 17α-Benzyl-3β,17β-dihydroxy-5-androstene Acta Crystallographica Section C 50(2) (1994) 312-314

301,791

2025-08-18

23:15:34

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/94/2009462.cif $ #-------------------------------------------------------------------...

2,009,463

14.645

0.002

20.891

0.005

5.404

0.002

90

null

90

null

90

null

1,653.3

0.8

296

null

296

1

null

4

P n a 21

P 2c -2n

33

Trans-1,2,3-tris(3-thienoyl)cyclopropane

- C18 H12 O3 S3 -

- C22 H9 O3 S4 -

- C88 H36 O12 S16 -

4

1

LI1065

Antonio Saba

Synthesis and structure of trans-1,2,3-tris(3-thenoyl)cyclopropane

Acta Crystallographica Section C

1,994

50

2

271

274

10.1107/S0108270193008820

1.54178

X-rayCuKα

null

0.054

null

0.067

null

1.96

null

has coordinates

Antonio Saba Synthesis and structure of trans-1,2,3-tris(3-thenoyl)cyclopropane Acta Crystallographica Section C 50(2) (1994) 271-274

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/94/2009463.cif $ #-------------------------------------------------------------------...

2,009,464

11.823

0.005

14.433

0.005

20.857

0.005

90

null

102.65

0.03

90

null

3,473

2

298

null

5

P 1 21/n 1

-P 2yn

14

- C35 H38 Cl4 Cu N2 -

- C140 H152 Cl16 Cu4 N8 -

4

1

MU1039

Zeng, G.-F.; Qin, M.; Lin, Y.-H.; Xi, S.-Q.

Tribenzylammonium dibenzylammonium tetrachlorocuprate

Acta Crystallographica, Section C: Crystal Structure Communications

1,994

50

2

200

202

10.1107/S0108270193007735

0.71073

MoKα

null

0.054

null

0.053

null

has coordinates

Zeng, G.-F.; Qin, M.; Lin, Y.-H.; Xi, S.-Q. Tribenzylammonium dibenzylammonium tetrachlorocuprate Acta Crystallographica, Section C: Crystal Structure Communications 50(2) (1994) 200-202

278,324

2022-10-03

14:41:53

#------------------------------------------------------------------------------ #$Date: 2022-10-03 17:40:12 +0300 (Mon, 03 Oct 2022) $ #$Revision: 278324 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/94/2009464.cif $ #-------------------------------------------------------------------...

2,009,465

12.32

0.007

12.524

0.007

13.866

0.006

75.55

0.04

69.97

0.04

63.86

0.03

1,792.1

1.7

295

null

5

P -1

-P 1

2

- C45 H30 Cl2 N6 O4 -

- C44.5 H27 Cl2 N6 O4 -

- C89 H54 Cl4 N12 O8 -

2

1

MU1041

Dahal, S.; Nethaji, M.; Krishnan, V.

3,12-Dinitro-5,10,15,20-tetraphenylporphyrin – an example of a twisted intramolecular charge-transfer system

Acta Crystallographica Section C

1,994

50

2

314

317

10.1107/S0108270193007826

0.71069

MoKα

null

0.075

null

0.077

null

2.7189

null

has coordinates

Dahal, S.; Nethaji, M.; Krishnan, V. 3,12-Dinitro-5,10,15,20-tetraphenylporphyrin – an example of a twisted intramolecular charge-transfer system Acta Crystallographica Section C 50(2) (1994) 314-317

278,247

2022-09-28

15:09:32

#------------------------------------------------------------------------------ #$Date: 2022-09-28 18:08:17 +0300 (Wed, 28 Sep 2022) $ #$Revision: 278247 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/94/2009465.cif $ #-------------------------------------------------------------------...

2,009,466

12.148

0.012

18.36

0.007

14.815

0.004

90

null

112.39

0.04

90

null

3,055

3

294

null

6

P 1 21/n 1

-P 2yn

14

- C34 H33 N3 O P Pd -

- C136 H132 N12 O4 P4 Pd4 -

4

1

MU1045

Matt, D.; Guillemin, J.-C.; Ziessel, R.; Balegroune, F.; Grandjean, D.

Hybrid ligands. Structure of a palladium(II) complex containing a pyrazolol-derived phosphine ligand, [(o-C~6~H~4~CH~2~NMe~2~)Pd(Ph~2~P{ṟidge{Cḅ C(O)N(Ph)Nḅ C}{33mm}(Me)})]

Acta Crystallographica Section C

1,994

50

2

193

195

10.1107/S010827019300664X

0.71073

Mo

null

0.033

null

0.053

null

1.16

null

has coordinates

Matt, D.; Guillemin, J.-C.; Ziessel, R.; Balegroune, F.; Grandjean, D. Hybrid ligands. Structure of a palladium(II) complex containing a pyrazolol-derived phosphine ligand, [(o-C~6~H~4~CH~2~NMe~2~)Pd(Ph~2~P{ṟidge{Cḅ C(O)N(Ph)Nḅ C}{33mm}(Me)})] Acta Crystallographica Section C 50(2) (1994) 193-195

278,324

2022-10-03

14:41:53

#------------------------------------------------------------------------------ #$Date: 2022-10-03 17:40:12 +0300 (Mon, 03 Oct 2022) $ #$Revision: 278324 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/94/2009466.cif $ #-------------------------------------------------------------------...

4,321,836

14.7625

0.0018

12.22

0.002

33.672

0.005

90

null

90

null

90

null

6,074.4

1.5

130

2

130

2

null

7

P c a 21

P 2c -2ac

29

- C64 H36 Cl12 Cu N4 O4 S2 -

- C256 H144 Cl48 Cu4 N16 O16 S8 -

4

1

Noëlle Ehlinger; W. Robert Scheidt

Structure and Apparent Reactivity of the π-Cation Radical Derivatives of Zinc and Copper 5,10,15,20-Tetra(2,6-dichlorophenyl)porphyrinate

Inorganic Chemistry

1,999

38

1316

1321

10.1021/ic981041n

0.71073

MoKα

0.2084

0.1185

null

0.2137

0.2656

null

1.09

null

has coordinates

Noëlle Ehlinger; W. Robert Scheidt Structure and Apparent Reactivity of the π-Cation Radical Derivatives of Zinc and Copper 5,10,15,20-Tetra(2,6-dichlorophenyl)porphyrinate Inorganic Chemistry 38 (1999) 1316-1321

179,321

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:18:08 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179321 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/18/4321836.cif $ #-------------------------------------------------------------------...

2,009,467

5.215

0.004

5.223

0.003

11.935

0.006

79.06

0.04

87.52

0.05

85.15

0.06

317.9

0.3

300

2

298

2

null

5

P -1

-P 1

2

zinc(II) bis(phosphoglycolate) dihydrate

- C4 H12 O14 P2 Zn -

1

0.5

MU1054

Lis, Tadeusz

Zinc(II) bis(phosphoglycolate) dihydrate and calcium bis(phosphoglycolate) dihydrate

Acta Crystallographica Section C

1,994

50

2

181

185

10.1107/S0108270193007711

0.71069

MoKα

null

0.0327

null

0.0453

null

has coordinates

Lis, Tadeusz Zinc(II) bis(phosphoglycolate) dihydrate and calcium bis(phosphoglycolate) dihydrate Acta Crystallographica Section C 50(2) (1994) 181-185

176,435

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/94/2009467.cif $ #-------------------------------------------------------------------...

2,009,468

7.431

0.003

21.3

0.009

8.838

0.005

90

null

90.42

0.04

90

null

1,398.8

1.1

295

2

295

2

null

5

P 1 21/a 1

-P 2yab

14

calcium bis(phosphoglycolate) dihydrate

- C4 H12 Ca O14 P2 -

- C16 H48 Ca4 O56 P8 -

4

1

MU1054

Lis, Tadeusz

Zinc(II) bis(phosphoglycolate) dihydrate and calcium bis(phosphoglycolate) dihydrate

Acta Crystallographica Section C

1,994

50

2

181

185

10.1107/S0108270193007711

1.5418

CuKα

null

0.0418

null

0.0678

null

has coordinates

Lis, Tadeusz Zinc(II) bis(phosphoglycolate) dihydrate and calcium bis(phosphoglycolate) dihydrate Acta Crystallographica Section C 50(2) (1994) 181-185

176,435

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/94/2009468.cif $ #-------------------------------------------------------------------...

2,009,469

8.745

0.004

19.207

0.003

10.981

0.003

90

null

92.23

0.03

90

null

1,843

1

133

null

5

P 1 21/a 1

-P 2yab

null

- C19 H19 B F2 O6 -

- C76 H76 B4 F8 O24 -

4

1

MU1058

Stomberg, R.; Li, S.; Lundquist, K.

[2,3-Bis(3,4-dimethoxyphenyl)-3-oxopropanalato-O,O']difluoroboron(III)

Acta Crystallographica Section C

1,994

50

2

214

217

10.1107/S0108270193007759

0.71069

MoKα

null

0.04

null

0.045

null

1.69

null

has coordinates

Stomberg, R.; Li, S.; Lundquist, K. [2,3-Bis(3,4-dimethoxyphenyl)-3-oxopropanalato-O,O']difluoroboron(III) Acta Crystallographica Section C 50(2) (1994) 214-217

301,791

2025-08-18

23:15:34

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/94/2009469.cif $ #-------------------------------------------------------------------...

2,009,470

10.429

0.002

8.472

0.002

19.228

0.005

90

null

99.96

0.02

90

null

1,673.3

0.7

293

null

5

P 1 21/c 1

-P 2ybc

14

- C28 H22 Cl6 O6 Sn2 -

- C56 H44 Cl12 O12 Sn4 -

2

0.5

MU1059

Alcock, N.W.; Roe, S.M.

Dimeric μ-hydroxy-diphenyl(trichloroacetato)tin

Acta Crystallographica Section C

1,994

50

2

227

229

10.1107/S0108270193007760

0.71073

MoKα

null

0.046

null

0.062

null

1.21

null

has coordinates

Alcock, N.W.; Roe, S.M. Dimeric μ-hydroxy-diphenyl(trichloroacetato)tin Acta Crystallographica Section C 50(2) (1994) 227-229

198,487

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-07-05 21:05:25 +0300 (Wed, 05 Jul 2017) $ #$Revision: 198487 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/94/2009470.cif $ #-------------------------------------------------------------------...