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

2,008,899

9.6467

0.0004

12.7276

0.0006

20.804

0.001

90

null

90.129

0.001

90

null

2,554.3

0.2

203

2

203

2

null

5

P 1 21/c 1

-P 2ybc

14

chlorobis(η5-pentamethylcyclopentadienyl)-p- chloroanilideuranium(IV)

- C26 H35 Cl2 N U -

- C26 H20 Cl2 N U -

- C104 H80 Cl8 N4 U4 -

4

1

FR1192

Peters, R. Gregory; Scott, Brian L.; Burns, Carol J.

Chloro(p-chloroanilido-N)bis(η^5^-pentamethylcyclopentadienyl)uranium(IV)

Acta Crystallographica Section C

1,999

55

9

1482

1483

10.1107/S0108270199007143

0.71073

MoKα

0.03

0.024

null

0.064

null

1.272

null

has coordinates

Peters, R. Gregory; Scott, Brian L.; Burns, Carol J. Chloro(p-chloroanilido-N)bis(η^5^-pentamethylcyclopentadienyl)uranium(IV) Acta Crystallographica Section C 55(9) (1999) 1482-1483

176,759

2020-10-21

18:00:00

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2,008,900

13.979

0.003

4.689

0.001

16.239

0.003

90

null

107.279

0.004

90

null

1,016.4

0.4

153

2

153

2

null

3

P 1 21/c 1

-P 2ybc

14

1,4-di-{[m-(1,3-dioxane)benzene]}propane

- C24 H30 O4 -

- C48 H60 O8 -

2

0.5

FR1202

Jene, Paul G.; Ibers, James A.

Bis(1,3-dioxan-2-yl)arenes: precursors to linked porphyrins

Acta Crystallographica Section C

1,999

55

9

1593

1595

10.1107/S010827019900788X

0.71073

MoKα

0.1

0.04

null

0.09

null

0.81

null

has coordinates

Jene, Paul G.; Ibers, James A. Bis(1,3-dioxan-2-yl)arenes: precursors to linked porphyrins Acta Crystallographica Section C 55(9) (1999) 1593-1595

301,791

2025-08-18

23:15:33

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2,008,901

26.064

0.005

8.696

0.002

11.943

0.002

90

null

103.604

0.004

90

null

2,631

0.9

153

2

153

2

null

3

C 1 2/c 1

-C 2yc

15

1,2-di-(1,3 dioxane)benzene

- C14 H18 O4 -

- C112 H144 O32 -

8

1

FR1202

Jene, Paul G.; Ibers, James A.

Bis(1,3-dioxan-2-yl)arenes: precursors to linked porphyrins

Acta Crystallographica Section C

1,999

55

9

1593

1595

10.1107/S010827019900788X

0.71073

MoKα

0.137

0.041

null

0.077

null

0.723

null

has coordinates

Jene, Paul G.; Ibers, James A. Bis(1,3-dioxan-2-yl)arenes: precursors to linked porphyrins Acta Crystallographica Section C 55(9) (1999) 1593-1595

301,791

2025-08-18

23:15:33

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7,106,478

26.8824

0.0003

23.1806

0.0003

19.5962

0.0002

90

null

90

null

90

null

12,211.4

0.2

100

2

100

2

null

synthesis as described

7

P n a 21

P 2c -2n

33

- C86 H156 Ce Cr6 F7 N2 O31 -

- C344 H624 Ce4 Cr24 F28 N8 O124 -

4

1

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

Chromium Chains as Polydentate Fluoride Ligands for Lanthanides

Chem.Commun.

2,011

47

6251

10.1039/c1cc11516b

x-ray

0.71073

MoKα

0.0695

0.0587

null

0.1513

0.1632

null

1.062

null

has coordinates

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

180,168

2020-10-21

18:00:00

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2,008,902

14.898

0.001

9.19

0.002

15.525

0.002

90

null

90

null

90

null

2,125.6

0.6

296

null

296

null

3

P b c n

-P 2n 2ab

60

- C22 H26 O6 -

- C22 H25.998 O6 -

- C88 H103.992 O24 -

4

0.5

FR1207

Dobson, Allison J.; Gerkin, Roger E.

C—H···O interactions in dimethyl 6,6'-dimethoxy-3,3',5,5'-tetramethylbiphenyl-2,2'-dicarboxylate

Acta Crystallographica Section C

1,999

55

9

1496

1499

10.1107/S0108270199007891

0.71073

MoKα

null

0.055

null

0.074

null

1.35

null

has coordinates

Dobson, Allison J.; Gerkin, Roger E. C—H···O interactions in dimethyl 6,6'-dimethoxy-3,3',5,5'-tetramethylbiphenyl-2,2'-dicarboxylate Acta Crystallographica Section C 55(9) (1999) 1496-1499

176,759

2020-10-21

18:00:00

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2,008,903

7.74

0.001

7.948

0.002

9.984

0.001

84.25

0.01

77.38

0.01

61.02

0.01

524.3

0.17

296

null

296

null

5

P -1

-P 1

2

quinolinium-4-carboxylic acid chloride monohydrate

- C10 H10 Cl N O3 -

- C20 H20 Cl2 N2 O6 -

2

1

FR1208

Dobson, Allison J.; Gerkin, Roger E.

Hydrogen bonding and C—H···X interactions in two triclinic phases of 4-carboxyquinolinium chloride monohydrate

Acta Crystallographica Section C

1,999

55

9

1499

1503

10.1107/S0108270199006885

0.71073

MoKα

null

0.039

null

0.096

null

1.93

null

has coordinates

Dobson, Allison J.; Gerkin, Roger E. Hydrogen bonding and C—H···X interactions in two triclinic phases of 4-carboxyquinolinium chloride monohydrate Acta Crystallographica Section C 55(9) (1999) 1499-1503

301,791

2025-08-18

23:15:33

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2,008,904

4.2969

0.0006

10.785

0.002

11.36

0.001

85

0.01

82.99

0.01

89.48

0.01

520.52

0.13

296

null

296

null

5

P -1

-P 1

2

quinolinium-4-carboxylic acid chloride monohydrate

- C10 H10 Cl N O3 -

- C20 H20 Cl2 N2 O6 -

2

1

FR1208

Dobson, Allison J.; Gerkin, Roger E.

Hydrogen bonding and C—H···X interactions in two triclinic phases of 4-carboxyquinolinium chloride monohydrate

Acta Crystallographica Section C

1,999

55

9

1499

1503

10.1107/S0108270199006885

0.71073

MoKα

null

0.04

null

0.09

null

1.95

null

has coordinates

Dobson, Allison J.; Gerkin, Roger E. Hydrogen bonding and C—H···X interactions in two triclinic phases of 4-carboxyquinolinium chloride monohydrate Acta Crystallographica Section C 55(9) (1999) 1499-1503

301,791

2025-08-18

23:15:33

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2,008,905

15.689

0.006

11.025

0.006

17.641

0.009

90

null

113.69

0.07

90

null

2,794

3

293

2

293

2

null

5

C 1 2/c 1

-C 2yc

15

hexachlorotetra(tetrahydrofuran)(μ-oxo)dizirconium

- C16 H32 Cl6 O5 Zr2 -

- C64 H128 Cl24 O20 Zr8 -

4

0.5

GD1009

Guan, Jingwen; Siebel, Eric; Fischer, R. Dieter

μ-Oxo-bis[mer-trichlorobis(tetrahydrofuran-O)zirconium(IV)]

Acta Crystallographica Section C

1,999

55

9

1449

1451

10.1107/S0108270199007532

0.71073

MoKα

0.0504

0.0436

null

0.1159

0.1104

null

1.241

1.273

null

has coordinates

Guan, Jingwen; Siebel, Eric; Fischer, R. Dieter μ-Oxo-bis[mer-trichlorobis(tetrahydrofuran-O)zirconium(IV)] Acta Crystallographica Section C 55(9) (1999) 1449-1451

176,759

2020-10-21

18:00:00

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7,106,477

13.115

0.003

27.983

0.006

13.542

0.003

90

null

93.325

0.005

90

null

4,961.5

1.9

100

2

100

2

null

4

P 1 21/n 1

-P 2yn

14

- C98 H136 N14 O26 -

- C196 H272 N28 O52 -

2

0.5

M. Arunachalam; Pradyut Ghosh

Encapsulation of [F4(H2O)10]4? in a dimeric assembly of an unidirectional arene based hexapodal amide receptor

Chem.Commun.

2,011

47

6269

10.1039/c1cc10742a

0.71073

MoKα

0.116

0.0656

null

0.1634

0.2208

null

1.009

null

has coordinates

M. Arunachalam; Pradyut Ghosh Encapsulation of [F4(H2O)10]4? in a dimeric assembly of an unidirectional arene based hexapodal amide receptor Chem.Commun. 47 (2011) 6269

301,853

2025-08-21

21:50:04

#------------------------------------------------------------------------------ #$Date: 2025-08-22 00:26:11 +0300 (Fri, 22 Aug 2025) $ #$Revision: 301853 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/10/64/7106477.cif $ #-------------------------------------------------------------------...

2,008,906

12.6512

0.001

8.708

0.0006

17.0124

0.0012

90

null

106.314

0.006

90

null

1,798.7

0.2

293

2

293

2

null

5

P 1 21/c 1

-P 2ybc

14

Ammonium di-aquo ethylenediaminetetraacetate scandiumate trihydrate.

- C10 H26 N3 O13 Sc -

- C40 H104 N12 O52 Sc4 -

4

1

GD1032

Zhang, Ya-Wen; Wang, Zhe-Ming; Jia, Jiang-Tao; Liao, Chun-Sheng; Yan, Chun-Hua

Ammonium diaqua(ethylenediaminetetraacetato)scandium(III) trihydrate

Acta Crystallographica Section C

1,999

55

9

1418

1420

10.1107/S0108270199008057

0.71073

MoKα

0.055

0.045

null

0.152

null

1.085

null

has coordinates

Zhang, Ya-Wen; Wang, Zhe-Ming; Jia, Jiang-Tao; Liao, Chun-Sheng; Yan, Chun-Hua Ammonium diaqua(ethylenediaminetetraacetato)scandium(III) trihydrate Acta Crystallographica Section C 55(9) (1999) 1418-1420

301,791

2025-08-18

23:15:33

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2,008,907

6.293

0.003

10.255

0.002

22.172

0.005

90

null

96.17

0.03

90

null

1,422.6

0.8

123

null

123

null

3

P 1 21 1

P 2yb

4

Cholest-5-enyl-3β,4β-diacetate

Cholest-5-ene-3β,4β-diyl diacetate

- C31 H50 O4 -

- C62 H100 O8 -

2

1

GD1035

Kennedy, Alan R.; Pitt, Andrew R.; Suckling, Colin J.; Suckling, Keith E.; Thomas, Michael

Cholest-5-ene-3β,4β-diyl diacetate

Acta Crystallographica Section C

1,999

55

9

1570

1572

10.1107/S0108270199006770

0.71069

MoKα

0.092

0.057

null

0.147

null

1.052

null

has coordinates,has Fobs

Kennedy, Alan R.; Pitt, Andrew R.; Suckling, Colin J.; Suckling, Keith E.; Thomas, Michael Cholest-5-ene-3β,4β-diyl diacetate Acta Crystallographica Section C 55(9) (1999) 1570-1572

301,791

2025-08-18

23:15:33

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2,008,908

5.9096

0.0011

9.9845

0.0017

14.394

0.003

95.053

0.017

93.762

0.019

99.544

0.017

831.5

0.3

150

2

150

2

null

8

P -1

-P 1

2

[(Cu2Cl3)](H2bpds)(BF4)

Hexachlorodicuprate(II) Bis[bis(4-pyridinium)disulfide] Bis(tetrafluoroborate)

- C20 H20 B2 Cl6 Cu2 F8 N4 S4 -

1

0.5

GD1036

Blake, Alexander J.; Champness, Neil R.; Cooke, Paul A.; Nicolson, James E.B.

Bis(4,4'-disulfanediyldipyridinium) di-μ-chloro-bis[dichlorocuprate(II)] bis(tetrafluoroborate)

Acta Crystallographica Section C

1,999

55

9

1422

1425

10.1107/S0108270199006836

0.71073

MoKα

0.0681

0.0454

null

0.0816

null

1.18

null

has coordinates,has Fobs

Blake, Alexander J.; Champness, Neil R.; Cooke, Paul A.; Nicolson, James E.B. Bis(4,4'-disulfanediyldipyridinium) di-μ-chloro-bis[dichlorocuprate(II)] bis(tetrafluoroborate) Acta Crystallographica Section C 55(9) (1999) 1422-1425

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/2/00/89/2008908.cif $ #-------------------------------------------------------------------...

7,106,476

15.7347

0.0017

17.1841

0.0018

19.617

0.002

101.428

0.003

109.835

0.002

99.502

0.003

4,732.8

0.9

120

2

120

2

null

5

P -1

-P 1

2

- C88 H128 F2 N14 O24 -

- C88 H121 F2 N14 O24 -

- C176 H242 F4 N28 O48 -

2

1

M. Arunachalam; Pradyut Ghosh

Encapsulation of [F4(H2O)10]4? in a dimeric assembly of an unidirectional arene based hexapodal amide receptor

Chem.Commun.

2,011

47

6269

10.1039/c1cc10742a

0.71073

MoKα

0.1236

0.075

null

0.1985

0.2304

null

1.038

null

has coordinates,has disorder

M. Arunachalam; Pradyut Ghosh Encapsulation of [F4(H2O)10]4? in a dimeric assembly of an unidirectional arene based hexapodal amide receptor Chem.Commun. 47 (2011) 6269

180,168

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-26 03:05:44 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180168 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/10/64/7106476.cif $ #-------------------------------------------------------------------...

2,008,909

9.6855

0.0011

12.775

0.003

16.053

0.006

67.29

0.03

87.64

0.017

85.75

0.017

1,827.1

0.9

290

1

290

1

null

4

P -1

-P 1

2

Dicyclohexyl-N-(3-pyridinylcarbonyl)urea

N,N`-dicyclohexyl-N-(3-pyridinylcarbonyl)urea

- C19 H27 N3 O2 -

- C76 H108 N12 O8 -

4

2

GD1039

Gallagher, John F.; Kenny, Peter T.M.; Sheehy, Michael J.

Intermolecular N—H···N and C—H···O interactions from one-dimensional chains comprising the two independent molecues of N,N'-dicyclohexyl-N-nicotinoylurea

Acta Crystallographica Section C

1,999

55

9

1607

1610

10.1107/S0108270199007544

0.7107

MolybdenumKα

0.1529

0.0467

null

0.1107

null

0.871

null

has coordinates,has Fobs

Gallagher, John F.; Kenny, Peter T.M.; Sheehy, Michael J. Intermolecular N—H···N and C—H···O interactions from one-dimensional chains comprising the two independent molecues of N,N'-dicyclohexyl-N-nicotinoylurea Acta Crystallographica Section C 55(9) (1999) 1607-1610

301,791

2025-08-18

23:15:33

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2,008,910

7.873

0.002

8.985

0.002

10.412

0.002

101.55

0.03

104.51

0.03

103.52

0.03

666.6

0.3

295

2

295

2

null

5

P -1

-P 1

2

1,1,3,3‒Tetramethylguanidinum tetrachloroantimonate(III)

- C5 H14 Cl4 N3 Sb -

- C10 H28 Cl8 N6 Sb2 -

2

1

GD1040

Bujak, Maciej; Osadczuk, Przemysław; Zaleski, Jacek

N,N,N',N'-Tetramethylguanidinium tetrachloroantimonate(III) at 295 and 92K

Acta Crystallographica Section C

1,999

55

9

1443

1447

10.1107/S0108270199008264

0.71073

MoKα

0.043

0.035

null

0.096

null

1.244

null

has coordinates

Bujak, Maciej; Osadczuk, Przemysław; Zaleski, Jacek N,N,N',N'-Tetramethylguanidinium tetrachloroantimonate(III) at 295 and 92K Acta Crystallographica Section C 55(9) (1999) 1443-1447

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/2/00/89/2008910.cif $ #-------------------------------------------------------------------...

2,008,911

7.818

0.002

8.849

0.002

10.333

0.002

101.18

0.03

104.81

0.03

103.72

0.03

646.3

0.3

92

2

295

2

null

5

P -1

-P 1

2

1,1,3,3‒Tetramethylguanidinum tetrachloroantimonate(III)

- C5 H14 Cl4 N3 Sb -

- C10 H28 Cl8 N6 Sb2 -

2

1

GD1040

Bujak, Maciej; Osadczuk, Przemysław; Zaleski, Jacek

N,N,N',N'-Tetramethylguanidinium tetrachloroantimonate(III) at 295 and 92K

Acta Crystallographica Section C

1,999

55

9

1443

1447

10.1107/S0108270199008264

0.71073

MoKα

0.023

0.02

null

0.052

null

1.11

null

has coordinates

Bujak, Maciej; Osadczuk, Przemysław; Zaleski, Jacek N,N,N',N'-Tetramethylguanidinium tetrachloroantimonate(III) at 295 and 92K Acta Crystallographica Section C 55(9) (1999) 1443-1447

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/2/00/89/2008911.cif $ #-------------------------------------------------------------------...

7,106,475

11.7929

0.0009

11.6986

0.0009

32.65

0.002

90

null

97.443

0.002

90

null

4,466.5

0.6

100

2

100

2

null

6

P 1 21/c 1

-P 2ybc

14

- C42 H45 Cl2 Cu N7 O14 -

- C42 H30 Cl2 Cu N7 O14 -

- C168 H120 Cl8 Cu4 N28 O56 -

4

1

Subrata Saha; I. Ravikumar; Pradyut Ghosh

Cu(II) assisted self-sorting towards pseudorotaxane formation

Chem.Commun.

2,011

47

6272

10.1039/c1cc10472a

0.71073

MoKα

0.0794

0.0591

null

0.166

0.1791

null

1.06

null

has coordinates,has disorder

Subrata Saha; I. Ravikumar; Pradyut Ghosh Cu(II) assisted self-sorting towards pseudorotaxane formation Chem.Commun. 47 (2011) 6272

180,168

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-26 03:05:44 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180168 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/10/64/7106475.cif $ #-------------------------------------------------------------------...

2,008,912

7.209

0.001

7.9527

0.0007

17.414

0.003

90

null

90.64

0.01

90

null

998.3

0.2

293

2

293

2

null

3

P 1 21/c 1

-P 2ybc

14

Polyphosphate de strontium Sr(PO~3~)~2~ forme β

- O6 P2 Sr -

- O48 P16 Sr8 -

8

2

GS1011

Graia, Mohsen; Driss, Ahmed; Jouini, Tahar

Polyphosphates de strontium Sr(PO~3~)~2~ formes β et γ

Acta Crystallographica Section C

1,999

55

9

1395

1398

10.1107/S0108270199003637

0.71069

MoKα

0.0553

0.0336

null

0.0861

0.0696

null

1.137

1.057

null

has coordinates

Graia, Mohsen; Driss, Ahmed; Jouini, Tahar Polyphosphates de strontium Sr(PO~3~)~2~ formes β et γ Acta Crystallographica Section C 55(9) (1999) 1395-1398

176,759

2020-10-21

18:00:00

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2,008,913

4.498

0.001

10.911

0.003

10.375

0.003

90

null

91.56

0.02

90

null

509

0.2

293

2

293

2

null

3

P 1 21/c 1

-P 2ybc

14

Polyphosphate de strontium Sr(PO~3~)~2~ forme γ

- O6 P2 Sr -

- O24 P8 Sr4 -

4

1

GS1011

Graia, Mohsen; Driss, Ahmed; Jouini, Tahar

Polyphosphates de strontium Sr(PO~3~)~2~ formes β et γ

Acta Crystallographica Section C

1,999

55

9

1395

1398

10.1107/S0108270199003637

0.71069

MoKα

0.0459

0.0332

null

0.0982

0.0898

null

1.13

1.148

null

has coordinates

Graia, Mohsen; Driss, Ahmed; Jouini, Tahar Polyphosphates de strontium Sr(PO~3~)~2~ formes β et γ Acta Crystallographica Section C 55(9) (1999) 1395-1398

176,759

2020-10-21

18:00:00

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2,008,914

10.713

0.003

13.569

0.004

28.27

0.009

90

null

90

null

90

null

4,109

2

293

null

293

null

5

P 21 21 21

P 2ac 2ab

19

- C19 H31 N O5 S -

- C152 H248 N8 O40 S8 -

8

2

GS1037

Marchand, Patrice; Masson, Serge; Rachinel, Denis; Saint-Clair, Jean-François; Averbuch-Pouchot, Marie-Thérèse

2-(2,3:5,6-Di-O-isopropylidene-β-D-mannofuranosyl)-N,N-(pentamethylene)ethanethioamide

Acta Crystallographica Section C

1,999

55

9

1533

1534

10.1107/S0108270199006459

0.7107

MoKα

0.043

null

0.0416

null

0.0416

null

1.829

null

1.829

null

has coordinates

Marchand, Patrice; Masson, Serge; Rachinel, Denis; Saint-Clair, Jean-François; Averbuch-Pouchot, Marie-Thérèse 2-(2,3:5,6-Di-O-isopropylidene-β-D-mannofuranosyl)-N,N-(pentamethylene)ethanethioamide Acta Crystallographica Section C 55(9) (1999) 1533-1534

301,791

2025-08-18

23:15:33

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7,106,474

9.328

0.002

29.816

0.006

15.503

0.003

90

null

109.638

0.01

90

null

4,061

1.5

100

2

100

2

null

6

P 1 21/c 1

-P 2ybc

14

- C34 H42 Cl2 Cu N7 O13 -

- C34 H40 Cl2 Cu N7 O13 -

- C136 H160 Cl8 Cu4 N28 O52 -

4

1

Subrata Saha; I. Ravikumar; Pradyut Ghosh

Cu(II) assisted self-sorting towards pseudorotaxane formation

Chem.Commun.

2,011

47

6272

10.1039/c1cc10472a

0.71073

MoKα

0.1174

0.0609

null

0.1123

0.1341

null

1.028

null

has coordinates

Subrata Saha; I. Ravikumar; Pradyut Ghosh Cu(II) assisted self-sorting towards pseudorotaxane formation Chem.Commun. 47 (2011) 6272

180,168

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-26 03:05:44 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180168 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/10/64/7106474.cif $ #-------------------------------------------------------------------...

2,008,915

8.8118

0.0004

11.606

0.0006

12.1748

0.0007

115.234

0.002

107.66

0.003

95.643

0.003

1,035.11

0.1

298

null

4

P -1

-P 1

2

- C26 H24 N4 O -

- C52 H48 N8 O2 -

2

1

GS1040

Aatif, A.; Baouid, A.; Hasnaoui, H.; Benharref, A.; Pierrot, M.

8-Méthyl-1,3-diphényl-4,5,6,6a,7,8-hexahydrocyclopenta[b][1,2,4]triazolo[4,3-a]benzodiazépin-7-one

Acta Crystallographica Section C

1,999

55

9

1528

1530

10.1107/S0108270199006897

0.71073

MoKα

null

0.05

null

0.078

null

1.268

null

has coordinates

Aatif, A.; Baouid, A.; Hasnaoui, H.; Benharref, A.; Pierrot, M. 8-Méthyl-1,3-diphényl-4,5,6,6a,7,8-hexahydrocyclopenta[b][1,2,4]triazolo[4,3-a]benzodiazépin-7-one Acta Crystallographica Section C 55(9) (1999) 1528-1530

176,759

2020-10-21

18:00:00

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2,008,916

10.17

0.001

12.897

0.001

9.801

0.001

90

null

105.358

0.001

90

null

1,239.6

0.2

298

null

3

P 1 21/c 1

-P 2ybc

14

- C16 H10 O4 -

- C64 H40 O16 -

4

1

GS1041

Kakou-Yao, R.; Saba, A.; Ebby, N.; Pierrot, M.; Aycard, J. P.

Tautomérie de la 4-(hydroxyphénylméthylène) isochroman-1,3 dione à l'état solide

Acta Crystallographica Section C

1,999

55

9

1591

1593

10.1107/S0108270199006782

0.71073

MoKα

null

0.042

null

0.074

null

0.994

null

has coordinates

Kakou-Yao, R.; Saba, A.; Ebby, N.; Pierrot, M.; Aycard, J. P. Tautomérie de la 4-(hydroxyphénylméthylène) isochroman-1,3 dione à l'état solide Acta Crystallographica Section C 55(9) (1999) 1591-1593

301,791

2025-08-18

23:15:33

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2,008,917

21.031

0.003

8.201

0.0008

9.215

0.001

90

null

90

null

90

null

1,589.4

0.3

293

2

293

2

null

4

P c a 21

P 2c -2ac

29

Trichloro[(Z)-2-chloro-1,2-diphenylvinyl]tellurium(IV)

- C14 H10 Cl4 Te -

- C56 H40 Cl16 Te4 -

4

1

GS1044

Zukerman-Schpector, J.; Camillo, Robinson L.; Comasseto, João V.; Santos, Rute A.; Caracelli, I.

Trichloro[(Z)-2-chloro-1,2-diphenylvinyl]tellurium(IV)

Acta Crystallographica Section C

1,999

55

9

1577

1579

10.1107/S0108270199006964

0.71073

MoKα

0.066

0.03

null

0.069

null

1.09

null

has coordinates,has Fobs

Zukerman-Schpector, J.; Camillo, Robinson L.; Comasseto, João V.; Santos, Rute A.; Caracelli, I. Trichloro[(Z)-2-chloro-1,2-diphenylvinyl]tellurium(IV) Acta Crystallographica Section C 55(9) (1999) 1577-1579

301,791

2025-08-18

23:15:33

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2,008,918

11.2868

0.0006

30.877

0.002

11.9177

0.0006

90

null

92.746

0.003

90

null

4,148.6

0.4

123

2

123

2

null

5

P 1 21/n 1

-P 2yn

14

- C30 H60 La N7 O15 -

- C120 H240 La4 N28 O60 -

4

1

GS1046

Thuéry, Pierre; Nierlich, Martine; Charbonnel, Marie-Christine; Dognon, Jean-Pierre

Bis[2-(2-ethoxyethyl)-N,N,N',N'-tetraethylmalondiamide-O^1^,O^3^]tris(nitrato-O,O')lanthanum(III)

Acta Crystallographica Section C

1,999

55

9

1434

1436

10.1107/S0108270199008215

0.71073

MoKα

0.052

0.035

null

0.12

null

0.076

null

1.131

null

1.06

null

has coordinates,has Fobs

Thuéry, Pierre; Nierlich, Martine; Charbonnel, Marie-Christine; Dognon, Jean-Pierre Bis[2-(2-ethoxyethyl)-N,N,N',N'-tetraethylmalondiamide-O^1^,O^3^]tris(nitrato-O,O')lanthanum(III) Acta Crystallographica Section C 55(9) (1999) 1434-1436

301,791

2025-08-18

23:15:33

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2,008,919

9.6477

0.0001

14.9004

0.0002

18.0803

0.0003

75.92

0.001

84.206

0.001

75.546

0.001

2,439.01

0.06

293

2

293

2

null

4

P -1

-P 1

2

Intramolecular N-H...π(Phenyl) and Intermolecular C-H...π(Phenyl) Interaction in 5-Amino-8-cyano-2-phenyl-4(4-methoxy-phenyl-7- (piperidine-1-yl)-1,6-Naphthyridine

- C30 H28 N5 O -

- C120 H112 N20 O4 -

4

2

HA1253

R. Thirumurugan; S.Shanmuga Sundara Raj; G.Shanmugam; Hoong-Kun Fun; V. Raghukumar; V.T. Ramakrishnan

Intramolecular N—H···π(phenyl) and intermolecular C—H···π(phenyl) interactions in 5-amino-4-(4-methoxyphenyl)-2-phenyl-7-piperidino-1,6-naphthyridine-8-carbonitrile–benzene(2/1)

Acta Crystallographica Section C

1,999

55

9

1522

1524

10.1107/S0108270199005879

0.71073

MoKα

0.1044

0.0658

null

0.1833

null

1.073

null

has coordinates,has Fobs

R. Thirumurugan; S.Shanmuga Sundara Raj; G.Shanmugam; Hoong-Kun Fun; V. Raghukumar; V.T. Ramakrishnan Intramolecular N—H···π(phenyl) and intermolecular C—H···π(phenyl) interactions in 5-amino-4-(4-methoxyphenyl)-2-phenyl-7-piperidino-1,6-naphthyridine-8-carbonitrile–benzene(2/1) Acta Crystallographica Section C 55(9) (...

301,791

2025-08-18

23:15:33

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/89/2008919.cif $ #-------------------------------------------------------------------...

7,106,473

19.9699

0.0019

17.073

0.0015

30.915

0.002

90

null

126.461

0.004

90

null

8,477.2

1.3

293

2

293

2

null

5

P 1 21/c 1

-P 2ybc

14

- C112 H87.5 Cu4 N10 O36 -

- C112 H76 Cu4 N10 O36 -

- C224 H152 Cu8 N20 O72 -

2

0.5

Zheng-Jie Zhang; Wei Shi; Zheng Niu; Huan-Huan Li; Bin Zhao; Peng Cheng; Dai-Zheng Liao; Shi-Ping Yan

A new type of polyhedron-based metal-organic frameworks with interpenetrating cationic and anionic nets demonstrating ion exchange, adsorption and luminescent properties

Chem.Commun.

2,011

47

6425

10.1039/c1cc00047k

0.71075

MoKα

0.1056

0.0688

null

0.1798

0.1991

null

0.966

null

has coordinates

Zheng-Jie Zhang; Wei Shi; Zheng Niu; Huan-Huan Li; Bin Zhao; Peng Cheng; Dai-Zheng Liao; Shi-Ping Yan A new type of polyhedron-based metal-organic frameworks with interpenetrating cationic and anionic nets demonstrating ion exchange, adsorption and luminescent properties Chem.Commun. 47 (2011) 6425

180,168

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-26 03:05:44 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180168 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/10/64/7106473.cif $ #-------------------------------------------------------------------...

2,008,920

8.0589

0.0006

9.2783

0.0007

10.0365

0.0008

81.755

0.005

87.512

0.005

67.632

0.005

686.77

0.09

180

2

180

2

null

6

P -1

-P 1

2

- C24 H44 Cu F6 N8 P -

1

0.5

HA1257

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

A complex containing Cu^I^ linearly coordinated by two tetracyclic tetraamines

Acta Crystallographica Section C

1,999

55

9

1402

1403

10.1107/S0108270199006423

0.71073

MoKα

0.052

0.04

null

0.089

0.092

null

1

0.916

null

has coordinates

Hubin, Timothy J.; Alcock, Nathaniel W.; Clase, Howard J.; Busch, Daryle H. A complex containing Cu^I^ linearly coordinated by two tetracyclic tetraamines Acta Crystallographica Section C 55(9) (1999) 1402-1403

301,791

2025-08-18

23:15:33

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/89/2008920.cif $ #-------------------------------------------------------------------...

2,008,921

10.262

0.002

12.073

0.002

12.357

0.003

90

null

92.47

0.03

90

null

1,529.5

0.5

293

2

293

2

null

6

P 1 21/c 1

-P 2ybc

14

Tetraaqua-(2,2'-bipyridyl-N,N'))-cadmium(ii) sulfate

- C10 H16 Cd N2 O8 S -

- C40 H64 Cd4 N8 O32 S4 -

4

1

HA1260

Miguel Harvey; Sergio Baggio; Ricardo Baggio; Alvaro Mombrú

Tetraaqua(2,2'-bipyridyl-N,N')cadmium(II) sulfate and catena-poly[[[diaqua(2,2'-bipyridyl-N,N')cadmium(II)]-μ-(sulfato-O:O')] hydrate]

Acta Crystallographica Section C

1,999

55

9

1457

1460

10.1107/S0108270199007982

0.71073

MoKα

0.045

0.035

null

0.102

null

0.095

null

1.016

null

1.046

null

has coordinates,has disorder

Miguel Harvey; Sergio Baggio; Ricardo Baggio; Alvaro Mombrú Tetraaqua(2,2'-bipyridyl-N,N')cadmium(II) sulfate and catena-poly[[[diaqua(2,2'-bipyridyl-N,N')cadmium(II)]-μ-(sulfato-O:O')] hydrate] Acta Crystallographica Section C 55(9) (1999) 1457-1460

301,791

2025-08-18

23:15:33

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2,008,922

20.998

0.004

6.823

0.001

20.001

0.004

90

null

94.88

0.03

90

null

2,855.1

0.9

293

2

293

2

null

6

P 1 21/c 1

-P 2ybc

14

Catena-((mu!2$-Sulfato-O,O')-diaqua-(2,2'-bipyridyl-N,N'))-cadmium(ii) monohydrate

- C10 H14 Cd N2 O7 S -

- C10 H11.5 Cd N2 O7 S -

- C80 H92 Cd8 N16 O56 S8 -

8

2

HA1260

Miguel Harvey; Sergio Baggio; Ricardo Baggio; Alvaro Mombrú

Tetraaqua(2,2'-bipyridyl-N,N')cadmium(II) sulfate and catena-poly[[[diaqua(2,2'-bipyridyl-N,N')cadmium(II)]-μ-(sulfato-O:O')] hydrate]

Acta Crystallographica Section C

1,999

55

9

1457

1460

10.1107/S0108270199007982

0.71073

MoKα

0.094

0.047

null

0.144

null

0.119

null

0.974

null

1.016

null

has coordinates

Miguel Harvey; Sergio Baggio; Ricardo Baggio; Alvaro Mombrú Tetraaqua(2,2'-bipyridyl-N,N')cadmium(II) sulfate and catena-poly[[[diaqua(2,2'-bipyridyl-N,N')cadmium(II)]-μ-(sulfato-O:O')] hydrate] Acta Crystallographica Section C 55(9) (1999) 1457-1460

176,759

2020-10-21

18:00:00

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2,008,923

10.3098

0.0013

8.4972

0.0008

11.4264

0.0013

90

null

90

null

90

null

1,001

0.19

293

2

293

2

null

5

P c a 21

P 2c -2ac

29

3-chloro-1-(4,5-dinitroimidazolyl)propan-2-ol

- C6 H7 Cl N4 O5 -

- C24 H28 Cl4 N16 O20 -

4

1

JZ1330

Gzella, Andrzej; Wrzeciono, Urszula; Pöppel, Wolfram

Azole. 42. Über Nitropiperidinoimidazolderivate

Acta Crystallographica Section C

1,999

55

9

1562

1565

10.1107/S0108270199005880

1.54178

CuKα

0.038

0.037

null

0.108

null

1.089

null

1.094

null

has coordinates

Gzella, Andrzej; Wrzeciono, Urszula; Pöppel, Wolfram Azole. 42. Über Nitropiperidinoimidazolderivate Acta Crystallographica Section C 55(9) (1999) 1562-1565

301,791

2025-08-18

23:15:33

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/89/2008923.cif $ #-------------------------------------------------------------------...

7,106,472

63.089

0.0003

63.089

0.0003

63.089

0.0003

90

null

90

null

90

null

251,108

2

150

2

150

2

null

5

F m -3 c

-F 4a 2 3

226

- C2688 H1856 N192 O1408 Zn192 -

- C2688 H1344 N192 O1408 Zn192 -

- C5376 H2688 N384 O2816 Zn384 -

2

0.010417

Zheng-Jie Zhang; Wei Shi; Zheng Niu; Huan-Huan Li; Bin Zhao; Peng Cheng; Dai-Zheng Liao; Shi-Ping Yan

A new type of polyhedron-based metal-organic frameworks with interpenetrating cationic and anionic nets demonstrating ion exchange, adsorption and luminescent properties

Chem.Commun.

2,011

47

6425

10.1039/c1cc00047k

0.71073

MoKα

0.0823

0.0582

null

0.2037

0.2119

null

1.032

null

has coordinates

Zheng-Jie Zhang; Wei Shi; Zheng Niu; Huan-Huan Li; Bin Zhao; Peng Cheng; Dai-Zheng Liao; Shi-Ping Yan A new type of polyhedron-based metal-organic frameworks with interpenetrating cationic and anionic nets demonstrating ion exchange, adsorption and luminescent properties Chem.Commun. 47 (2011) 6425

180,168

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-26 03:05:44 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180168 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/10/64/7106472.cif $ #-------------------------------------------------------------------...

2,008,924

10.763

0.001

16.052

0.002

16.634

0.002

75.87

0.01

82.88

0.01

89.91

0.01

2,764.1

0.6

293

2

293

2

null

5

P -1

-P 1

2

3-Chloro-1-(4-nitro-5-piperidinylimidazolyl)propan-2-ol

- C11 H17 Cl N4 O3 -

- C88 H136 Cl8 N32 O24 -

8

4

JZ1330

Gzella, Andrzej; Wrzeciono, Urszula; Pöppel, Wolfram

Azole. 42. Über Nitropiperidinoimidazolderivate

Acta Crystallographica Section C

1,999

55

9

1562

1565

10.1107/S0108270199005880

1.54178

CuKα

0.06

0.045

null

0.147

null

1.082

null

1.173

null

has coordinates

Gzella, Andrzej; Wrzeciono, Urszula; Pöppel, Wolfram Azole. 42. Über Nitropiperidinoimidazolderivate Acta Crystallographica Section C 55(9) (1999) 1562-1565

301,791

2025-08-18

23:15:33

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2,008,925

13.327

0.003

8.672

0.002

14.382

0.003

90

null

98.23

0.01

90

null

1,645

0.6

298

2

298

2

null

4

P 1 21/n 1

-P 2yn

14

- C18 H15 I Se -

- C72 H60 I4 Se4 -

4

1

JZ1353

Fleischer, Holger; Schollmeyer, Dieter

Triphenylselenonium iodide

Acta Crystallographica Section C

1,999

55

9

1572

1573

10.1107/S0108270199008033

0.71073

MoKα

0.074

0.041

null

0.093

0.105

null

0.999

null

has coordinates

Fleischer, Holger; Schollmeyer, Dieter Triphenylselenonium iodide Acta Crystallographica Section C 55(9) (1999) 1572-1573

301,791

2025-08-18

23:15:33

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2,008,926

9.201

0.001

10.027

0.001

18.217

0.002

90

null

90

null

90

null

1,680.7

0.3

293

2

293

2

null

4

P 21 21 21

P 2ac 2ab

19

1-N,2-O-Carbonyl-3,5-O-isopropylidene-1-N(2'[R]-2'-methyl-3'-oxo-pentanoyl)- α-D-xylofuranosylamine'

- C15 H21 N O7 -

- C60 H84 N4 O28 -

4

1

JZ1359

Kopf, Jürgen; Lützen, Arne; Köll, Peter

1-N,2-O-Carbonyl-3,5-O-isopropylidene-1-N-[(2R)-2-methyl-3-oxopentanoyl]-α-D-xylofuranosylamine

Acta Crystallographica Section C

1,999

55

9

1541

1542

10.1107/S0108270199007210

1.54178

CuKα

0.039

0.036

null

0.103

null

1.075

null

has coordinates,has Fobs

Kopf, Jürgen; Lützen, Arne; Köll, Peter 1-N,2-O-Carbonyl-3,5-O-isopropylidene-1-N-[(2R)-2-methyl-3-oxopentanoyl]-α-D-xylofuranosylamine Acta Crystallographica Section C 55(9) (1999) 1541-1542

301,791

2025-08-18

23:15:33

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2,008,927

19.305

0.002

5.958

0.001

23.847

0.002

90

null

91.989

0.008

90

null

2,741.2

0.6

293.2

null

293.2

null

5

C 1 2/c 1

-C 2yc

15

- C15 H11 Cl2 N O -

- C120 H88 Cl16 N8 O8 -

8

1

KA1319

Kabak, Mehmet; Elerman, Yalc̨in; Güner, Vildan; Yildirir, Süleyman; Durlu, Tahsin Nuri

3,3-Dichloro-1,4-diphenylazetidin-2-one

Acta Crystallographica Section C

1,999

55

9

1511

1512

10.1107/S0108270199006095

0.7107

MoKα

0.057

null

0.057

null

0.057

null

0.949

null

0.95

null

has coordinates

Kabak, Mehmet; Elerman, Yalc̨in; Güner, Vildan; Yildirir, Süleyman; Durlu, Tahsin Nuri 3,3-Dichloro-1,4-diphenylazetidin-2-one Acta Crystallographica Section C 55(9) (1999) 1511-1512

301,791

2025-08-18

23:15:33

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7,106,471

20.8645

0.0008

20.3201

0.0009

27.2798

0.0011

90

null

96.035

0.001

90

null

11,501.7

0.8

123

2

123

2

null

5

P 1 21/n 1

-P 2yn

14

- C131 H268 Cl10 Mn32 O94.6 -

- C262 H536 Cl20 Mn64 O189.2 -

2

0.5

Stuart K. Langley; Rachel A. Stott; Nicholas F. Chilton; Boujemaa Moubaraki; Keith S. Murray

A high nuclearity mixed valence {Mn32} Cluster

Chem.Commun.

2,011

47

6281

10.1039/c1cc00035g

0.71073

MoKα

0.104

0.0812

null

0.1553

0.1672

null

1.143

null

has coordinates,has disorder

Stuart K. Langley; Rachel A. Stott; Nicholas F. Chilton; Boujemaa Moubaraki; Keith S. Murray A high nuclearity mixed valence {Mn32} Cluster Chem.Commun. 47 (2011) 6281

176,453

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $ #$Revision: 176453 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/10/64/7106471.cif $ #-------------------------------------------------------------------...

2,008,928

12.157

0.003

12.157

0.003

8.05

0.002

90

null

90

null

120

null

1,030.3

0.4

294

2

294

2

null

3

P 32

145

isocurcumenol

3S-(3α,3aα,6α,8aβ)-Octahydro-3-methyl-8-methylene-5-(1-methylethylidene)- 6H-3a,6-epoxyazulen-6-ol

- C15 H22 O2 -

- C45 H66 O6 -

3

1

KA1324

Jan W. Bats; Öhlinger, Stefan H.

Absolute configuration of isocurcumenol

Acta Crystallographica Section C

1,999

55

9

1595

1598

10.1107/S0108270199006101

1.5418

CuKα

0.028

0.027

null

0.088

null

1.546

null

has coordinates

Jan W. Bats; Öhlinger, Stefan H. Absolute configuration of isocurcumenol Acta Crystallographica Section C 55(9) (1999) 1595-1598

301,791

2025-08-18

23:15:33

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/89/2008928.cif $ #-------------------------------------------------------------------...

2,008,929

12.0864

0.0015

12.0864

0.0015

7.9291

0.0011

90

null

90

null

120

null

1,003.1

0.2

135

2

135

2

null

3

P 32

145

isocurcumenol

3S-(3α,3aα,6α,8aβ)-Octahydro-3-methyl-8-methylene-5-(1-methylethylidene)- 6H-3a,6-epoxyazulen-6-ol

- C15 H22 O2 -

- C45 H66 O6 -

3

1

KA1324

Jan W. Bats; Öhlinger, Stefan H.

Absolute configuration of isocurcumenol

Acta Crystallographica Section C

1,999

55

9

1595

1598

10.1107/S0108270199006101

0.71073

MoKα

0.038

0.034

null

0.095

null

1.193

null

has coordinates

Jan W. Bats; Öhlinger, Stefan H. Absolute configuration of isocurcumenol Acta Crystallographica Section C 55(9) (1999) 1595-1598

301,791

2025-08-18

23:15:33

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/89/2008929.cif $ #-------------------------------------------------------------------...

2,008,930

8.5158

0.0008

7.0115

0.0006

10.9335

0.0013

90

null

97.375

0.012

90

null

647.42

0.11

293

2

293

2

null

5

P 1 21 1

P 2yb

4

9-(2'-Deoxy-α-D-ribofuranosyl)-7-iodo-7-deazaadenine

- C11 H13 I N4 O3 -

- C22 H26 I2 N8 O6 -

2

1

KA1326

Seela, Frank; Zulauf, Matthias; Reuter, Hans; Kastner, Guido

9-(2-Deoxy-α-D-ribofuranosyl)-7-iodo-7-deazaadenine

Acta Crystallographica Section C

1,999

55

9

1560

1562

10.1107/S0108270199006538

0.71073

MoKα

0.0232

0.0226

null

0.0569

null

1.051

null

has coordinates,has Fobs

Seela, Frank; Zulauf, Matthias; Reuter, Hans; Kastner, Guido 9-(2-Deoxy-α-D-ribofuranosyl)-7-iodo-7-deazaadenine Acta Crystallographica Section C 55(9) (1999) 1560-1562

301,791

2025-08-18

23:15:33

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2,008,931

24.83

0.002

9.642

0.002

9.176

0.006

90

null

90

null

90

null

2,196.8

1.5

293.2

null

293.2

null

4

P b c n

-P 2n 2ab

60

- C23 H30 N2 O4 -

- C92 H120 N8 O16 -

4

0.5

KA1327

Elerman, Yalçin; Kabak, Mehmet; Kara, Hülya; Güven, Kutalmıs̨; Naki̇poǧlu, Canan

3,9-Dimethyl-1,11-diphenyl-4,8-diazaundecane-1,11-dione dihydrate

Acta Crystallographica Section C

1,999

55

9

1508

1511

10.1107/S0108270199007192

0.7107

MoKα

0.088

0.05

null

0.16

null

0.96

null

has coordinates,has Fobs

Elerman, Yalçin; Kabak, Mehmet; Kara, Hülya; Güven, Kutalmıs̨; Naki̇poǧlu, Canan 3,9-Dimethyl-1,11-diphenyl-4,8-diazaundecane-1,11-dione dihydrate Acta Crystallographica Section C 55(9) (1999) 1508-1511

301,791

2025-08-18

23:15:33

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/89/2008931.cif $ #-------------------------------------------------------------------...

2,008,932

9.07

0.003

10.974

0.005

12.102

0.004

64.85

0.03

71.36

0.03

76.37

0.03

1,026.2

0.7

208

2

208

2

null

6

P -1

-P 1

2

Acetylpyridinium thiosemicarbazone)hexanitratothorate(IV)

- C20 H38 N14 O22 S2 Th -

1

0.5

KA1328

Abram, Ulrich; Bonfada, Elida; Schulz Lang, Ernesto; Acetylpyridinium thiosemicarbazone)hexanitratothorate(IV)

Bis{2-[1-(thiosemicarbazono)ethyl]pyridinium} hexakis(nitrato-O,O')thorate(IV) tetramethanol solvate

Acta Crystallographica Section C

1,999

55

9

1479

1482

10.1107/S0108270199007556

0.71073

MoKα

0.0262

0.0256

null

0.061

null

1.057

null

has coordinates,has Fobs

Abram, Ulrich; Bonfada, Elida; Schulz Lang, Ernesto; Acetylpyridinium thiosemicarbazone)hexanitratothorate(IV) Bis{2-[1-(thiosemicarbazono)ethyl]pyridinium} hexakis(nitrato-O,O')thorate(IV) tetramethanol solvate Acta Crystallographica Section C 55(9) (1999) 1479-1482

301,791

2025-08-18

23:15:33

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/89/2008932.cif $ #-------------------------------------------------------------------...

7,106,470

10.851

0.003

11.497

0.004

11.603

0.004

75.086

0.005

62.443

0.005

62.128

0.005

1,132.9

0.6

295

2

295

2

null

5

P -1

-P 1

2

- C32 H34.5 Cu5 N4 O36.25 -

- C32 H14 Cu5 N4 O26 -

1

0.5

Yonggang Zhao; Moothetty Padmanabhan; Qihan Gong; Nobuko Tsumori; Qiang Xu; Jing Li

CO catalytic oxidation by metal organic framework containing high density of reactive copper sites

Chem.Commun.

2,011

47

6377

10.1039/c1cc00001b

0.71073

MoKα

0.0568

0.0444

null

0.1176

0.1234

null

1.029

null

has coordinates

Yonggang Zhao; Moothetty Padmanabhan; Qihan Gong; Nobuko Tsumori; Qiang Xu; Jing Li CO catalytic oxidation by metal organic framework containing high density of reactive copper sites Chem.Commun. 47 (2011) 6377

176,453

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $ #$Revision: 176453 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/10/64/7106470.cif $ #-------------------------------------------------------------------...

2,008,933

7.214

0.001

18.34

0.001

10.418

0.001

90

null

109.32

0.01

90

null

1,300.7

0.2

298

null

5

P 1 21/n 1

-P 2yn

14

- C26 H26 Co N4 O10 -

- C52 H52 Co2 N8 O20 -

2

0.5

KA1329

Hökelek, Tuncer; Necefoğlu, Hacali

trans-Diaquabis(3-hydroxybenzoato-O)bis(nicotinamide-N^1^)cobalt(II)

Acta Crystallographica Section C

1,999

55

9

1438

1440

10.1107/S0108270199006733

0.71073

MoKα

null

0.0511

null

0.075

null

1.29

null

has coordinates

Hökelek, Tuncer; Necefoğlu, Hacali trans-Diaquabis(3-hydroxybenzoato-O)bis(nicotinamide-N^1^)cobalt(II) Acta Crystallographica Section C 55(9) (1999) 1438-1440

301,791

2025-08-18

23:15:33

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/89/2008933.cif $ #-------------------------------------------------------------------...

2,008,934

7.3785

0.0002

47.9241

0.001

5.9069

0.0002

90

null

90

null

90

null

2,088.73

0.1

293

2

293

2

null

4

A b a 2

A 2 -2ab

41

Bis{4,4'-[di-(2-carbomethoxy-5-thienyl)]} phenyl ether

- C24 H18 O5 S2 -

- C96 H72 O20 S8 -

4

null

LN1085

S.Shanmuga Sundara Raj; Hoong-Kun Fun; Susmita Gupta; Jayanta Kumar Ray

Bis[4-(2-methoxycarbonyl-5-thienyl)]phenyl ether

Acta Crystallographica Section C

1,999

55

9

1517

1519

10.1107/S0108270199008021

0.71073

MoKα

0.0369

0.0304

null

0.0952

null

1.083

null

has coordinates

S.Shanmuga Sundara Raj; Hoong-Kun Fun; Susmita Gupta; Jayanta Kumar Ray Bis[4-(2-methoxycarbonyl-5-thienyl)]phenyl ether Acta Crystallographica Section C 55(9) (1999) 1517-1519

301,791

2025-08-18

23:15:33

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/89/2008934.cif $ #-------------------------------------------------------------------...

2,008,935

28.308

0.003

11.306

0.003

20.622

0.003

90

null

123.5

0.02

90

null

5,504

2

298

2

298

2

null

6

C 1 2/c 1

-C 2yc

15

[Ni(3,5-Cl4salMetrien)]

(1,4-dioxan-O) [3,3'-methyliminobis(1,3-propanediylnitrilomethylidyne)di-3'',5''-dichloroph enolate-N,N',N'',O] nickel(II)

- C25 H29 Cl4 N3 Ni O4 -

- C25 H26 Cl4 N3 Ni O4 -

- C200 H208 Cl32 N24 Ni8 O32 -

8

1

NA1403

Gomes, Ligia; Pinho, Dora; Freire, Cristina; de Castro, Baltazar

(1,4-Dioxane-O){3,3',5,5'-tetrachloro-2,2'-[4-methyl-4-azaheptane-1,7-diylbis(nitrilomethylidyne-N)]diphenolato-O,O'}nickel(II), [Ni(3,5-Cl~4~salMetrien)]

Acta Crystallographica Section C

1,999

55

9

1425

1427

10.1107/S0108270199004588

0.71069

MoKα

0.076

0.046

null

0.108

null

0.091

null

1.31

null

1.346

null

has coordinates,has disorder

Gomes, Ligia; Pinho, Dora; Freire, Cristina; de Castro, Baltazar (1,4-Dioxane-O){3,3',5,5'-tetrachloro-2,2'-[4-methyl-4-azaheptane-1,7-diylbis(nitrilomethylidyne-N)]diphenolato-O,O'}nickel(II), [Ni(3,5-Cl~4~salMetrien)] Acta Crystallographica Section C 55(9) (1999) 1425-1427

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/2/00/89/2008935.cif $ #-------------------------------------------------------------------...

2,008,936

8.739

0.001

11.68

0.002

11.858

0.002

69.46

0.01

71.69

0.01

68.87

0.01

1,032.5

0.3

293

2

293

2

null

7

P -1

-P 1

2

Benzoylacetone-(S-n-propylisothiosemicarbazonato)iron(III) dichloride ethanol solvate

- C16 H24 Cl2 Fe N3 O2 S -

- C32 H48 Cl4 Fe2 N6 O4 S2 -

2

1

NA1418

Argay, Gyula; Kálmán, Alajos; Leovac, Vukadin M.

[Fe(HL)Cl~2~]^.^EtOH, where HL is the monoanion of benzoylacetone S-n-propylisothiosemicarbazone

Acta Crystallographica Section C

1,999

55

9

1440

1443

10.1107/S0108270199007647

0.71073

MoKα

0.101

0.039

null

0.097

null

0.875

null

has coordinates

Argay, Gyula; Kálmán, Alajos; Leovac, Vukadin M. [Fe(HL)Cl~2~]^.^EtOH, where HL is the monoanion of benzoylacetone S-n-propylisothiosemicarbazone Acta Crystallographica Section C 55(9) (1999) 1440-1443

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/2/00/89/2008936.cif $ #-------------------------------------------------------------------...

7,106,469

18.372

0.0007

21.0842

0.001

30.7821

0.0015

89.917

0.004

86.768

0.004

67.305

0.004

10,980.3

0.9

110

null

110

null

5

P -1

-P 1

2

- C117.5 H184.5 Bi38 O110.25 S10.75 -

- C117.494 H184.5 Bi38 O110.25 S10.75 -

- C234.988 H369 Bi76 O220.5 S21.5 -

2

1

Linda Miersch; Tobias Rüffer; Michael Mehring

Organic-inorganic hybrid materials starting from the novel nanoscaled bismuth oxido methacrylate cluster [Bi38O45(OMc)24(DMSO)9].2DMSO.7H2O

Chem.Commun.

2,011

47

6353

10.1039/C1CC11299F

0.71073

MoKα

0.0539

0.0351

null

0.0835

0.0863

null

0.975

null

has coordinates,has disorder

Linda Miersch; Tobias Rüffer; Michael Mehring Organic-inorganic hybrid materials starting from the novel nanoscaled bismuth oxido methacrylate cluster [Bi38O45(OMc)24(DMSO)9].2DMSO.7H2O Chem.Commun. 47 (2011) 6353

176,453

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $ #$Revision: 176453 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/10/64/7106469.cif $ #-------------------------------------------------------------------...

2,008,937

18.304

0.001

10.488

0.001

14.267

0.001

90

null

123.79

0.001

90

null

2,276.2

0.3

293

2

293

2

null

3

C 1 2/c 1

-C 2yc

15

9-(4H-1,2,4-triazol-4-ylimino)-4,5-diazafluorene

- C13 H8 N6 -

- C104 H64 N48 -

8

1

NA1425

S. Shanmuga Sundara Raj; Hoong-Kun Fun; Dun-ru Zhu; Fang-Fang Jian; Koulin Zhang; Xiao-Zeng You

9-(4H-1,2,4-Triazol-4-ylimino)-4,5-diazafluorene

Acta Crystallographica Section C

1,999

55

9

1526

1528

10.1107/S0108270199007908

0.71073

MoKα

0.121

0.063

null

0.197

null

1.018

null

has coordinates

S. Shanmuga Sundara Raj; Hoong-Kun Fun; Dun-ru Zhu; Fang-Fang Jian; Koulin Zhang; Xiao-Zeng You 9-(4H-1,2,4-Triazol-4-ylimino)-4,5-diazafluorene Acta Crystallographica Section C 55(9) (1999) 1526-1528

301,791

2025-08-18

23:15:33

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/89/2008937.cif $ #-------------------------------------------------------------------...

2,008,938

16.761

0.0002

14.2287

0.0002

21.1305

0.0002

90

null

97.691

0.001

90

null

4,994.02

0.1

293

2

293

2

null

7

P 1 21/c 1

-P 2ybc

14

3,5-Bis(2-pyridyl)-4-p-methylphenyl-4H-1,2,4-triazole bis(triphenyl phosphine) silver(I) perchlorate

- C55 H45 Ag Cl N5 O4 P2 -

- C220 H180 Ag4 Cl4 N20 O16 P8 -

4

1

NA1429

Shao, Si-Chang; Zhu, Dun-Ru; Zhu, Xu-Hui; You, Xiao-Zeng; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun

[4-(4-Methylphenyl)-3,5-bis(2-pyridyl)-4H-1,2,4-triazole]bis(triphenylphosphine)silver(I) perchlorate

Acta Crystallographica Section C

1,999

55

9

1412

1413

10.1107/S0108270199008197

0.71073

MoKα

0.073

0.04

null

0.111

null

1.047

null

has coordinates,has disorder

Shao, Si-Chang; Zhu, Dun-Ru; Zhu, Xu-Hui; You, Xiao-Zeng; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun [4-(4-Methylphenyl)-3,5-bis(2-pyridyl)-4H-1,2,4-triazole]bis(triphenylphosphine)silver(I) perchlorate Acta Crystallographica Section C 55(9) (1999) 1412-1413

301,791

2025-08-18

23:15:33

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/89/2008938.cif $ #-------------------------------------------------------------------...

2,008,939

10.545

0.001

9.747

0.001

5.3893

0.0005

90

null

92.243

0.007

90

null

553.5

0.09

298.2

null

5

P 1 21 1

P 2yb

4

- C9 H16 N2 O4 S -

- C18 H32 N4 O8 S2 -

2

1

OA1081

Tokutake, Nobuya; Hiratake, Jun; Irie, Takayuki; Yamano, Akihito; Oda, Jun-ichi

The absolute configuration of an intermediate cyclic sulfoximine in the asymmetric synthesis of transition-state analog inhibitors of γ-glutamylcysteine synthetase

Acta Crystallographica Section C

1,999

55

9

1598

1599

10.1107/S0108270198016436

0.7107

MoKα

null

0.029

null

0.084

null

1.033

null

has coordinates

Tokutake, Nobuya; Hiratake, Jun; Irie, Takayuki; Yamano, Akihito; Oda, Jun-ichi The absolute configuration of an intermediate cyclic sulfoximine in the asymmetric synthesis of transition-state analog inhibitors of γ-glutamylcysteine synthetase Acta Crystallographica Section C 55(9) (1999) 1598-1599

301,791

2025-08-18

23:15:33

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/89/2008939.cif $ #-------------------------------------------------------------------...

2,008,940

13.006

0.001

10.648

0.001

6.619

0.001

90

null

90

null

90

null

916.65

0.18

293

2

296.2

null

5

P n 21 a

P -2ac -2n

33

potassium niobium alminium arsenate

- Al As1.6 K2 Nb1.4 O10 -

- Al4 As6.4 K8 Nb5.6 O40 -

4

1

OH1112

Takeshi Nakagawa; Takeo Matsumoto; Valery I. Chani; Tsuguo Fukuda

K~2~NbAlO~2~[(As,Nb)O~4~]~2~, isostructural with KTiOPO~4~

Acta Crystallographica Section C

1,999

55

9

1391

1393

10.1107/S0108270199005144

0.71069

MoKα

null

0.023

null

0.034

null

1.991

null

1.991

null

has coordinates

Takeshi Nakagawa; Takeo Matsumoto; Valery I. Chani; Tsuguo Fukuda K~2~NbAlO~2~[(As,Nb)O~4~]~2~, isostructural with KTiOPO~4~ Acta Crystallographica Section C 55(9) (1999) 1391-1393

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/2/00/89/2008940.cif $ #-------------------------------------------------------------------...

2,008,941

12.386

0.003

15.837

0.002

14.515

0.003

90

null

105

0.02

90

null

2,750.2

1

294

2

294

2

null

5

P 1 21/c 1

-P 2ybc

14

methyltriphenylphosphonium 1-thiolate-2-methyl-1,2-dicarba-closo- dodecaborane(12)

methyltriphenylphosphonium 1-sulfido-2-methyl-1,2-dicarba-closo- dodecaborane(12)

- C22 H31 B10 P S -

- C88 H124 B40 P4 S4 -

4

1

OS1061

Kivekäs, Raikko; Benakki, Rajae; Viñas, Clara; Sillanpää, Reijo

Methyltriphenylphosphonium 2-methyl-1-sulfido-1,2-dicarba-closo-dodecaborane(12)

Acta Crystallographica Section C

1,999

55

9

1581

1583

10.1107/S0108270199006307

0.71069

MoKα

0.172

0.059

null

0.161

null

0.997

null

has coordinates,has disorder

Kivekäs, Raikko; Benakki, Rajae; Viñas, Clara; Sillanpää, Reijo Methyltriphenylphosphonium 2-methyl-1-sulfido-1,2-dicarba-closo-dodecaborane(12) Acta Crystallographica Section C 55(9) (1999) 1581-1583

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/2/00/89/2008941.cif $ #-------------------------------------------------------------------...

2,008,942

5.1673

0.0001

23.9998

0.0004

5.4029

0.0001

90

null

112.026

0.001

90

null

621.13

0.02

150

2

150

2

null

4

P 1 21 1

P 2yb

4

L-leucine:D-2-aminobutanoic acid

- C10 H22 N2 O4 -

- C20 H44 N4 O8 -

2

1

OS1063

Dalhus, Bjørn; Görbitz, Carl Henrik

Molecular aggregation in selected crystalline 1:1 complexes of hydrophobic D- and L-amino acids. III. The L-leucine and L-valine series

Acta Crystallographica Section C

1,999

55

9

1547

1555

10.1107/S0108270199006162

0.71073

MoKα

0.065

0.052

null

0.154

null

0.136

null

1.151

null

1.099

null

has coordinates

Dalhus, Bjørn; Görbitz, Carl Henrik Molecular aggregation in selected crystalline 1:1 complexes of hydrophobic D- and L-amino acids. III. The L-leucine and L-valine series Acta Crystallographica Section C 55(9) (1999) 1547-1555

301,791

2025-08-18

23:15:33

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/89/2008942.cif $ #-------------------------------------------------------------------...

7,106,468

23.8349

0.0018

25.5476

0.0018

26.003

0.002

90

null

110.251

0.002

90

null

14,855.1

1.9

293

2

293

2

null

6

C 1 2/c 1

-C 2yc

15

- H124 Mo30 N11 Na5 O154 Te10 -

- Mo30 N4 Na2 O134 Te10 -

- Mo120 N16 Na8 O536 Te40 -

4

0.5

Romain Canioni; Catherine Marchal-Roch; Nathalie Leclerc-Laronze; Mohamed Haouas; Francis Taulèlle; Jérôme Marrot; Sebastien Paul; Carole Lamonier; Jean-François Paul; Stéphane Loridant; Jean-Marc M. Millet; Emmanuel Cadot

Selective conversion of {Mo132} Keplerate ion into 4-electron reduced crown-capped Keggin derivative [Te5Mo15O57]^8-^. A key intermediate to single phase M1 multielement MoVTeO light alkanes oxidation catalyst

Chem.Commun.

2,011

47

6413

10.1039/c1cc11296a

0.71073

MoKα

0.1115

0.0661

null

0.1908

0.2568

null

1.04

null

has coordinates

Romain Canioni; Catherine Marchal-Roch; Nathalie Leclerc-Laronze; Mohamed Haouas; Francis Taulèlle; Jérôme Marrot; Sebastien Paul; Carole Lamonier; Jean-François Paul; Stéphane Loridant; Jean-Marc M. Millet; Emmanuel Cadot Selective conversion of {Mo132} Keplerate ion into 4-electron reduced crown-capped Keggin derivat...

291,143

2024-04-09

8:48:43

#------------------------------------------------------------------------------ #$Date: 2024-04-09 11:47:00 +0300 (Tue, 09 Apr 2024) $ #$Revision: 291143 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/10/64/7106468.cif $ #-------------------------------------------------------------------...

2,008,943

5.1639

0.0001

5.4076

0.0001

13.1241

0.0002

91.779

0.001

98.138

0.001

111.823

0.001

335.393

0.011

150

2

150

2

null

4

P 1

1

L-Leucine:D-2-aminopentanoic acid

- C11 H24 N2 O4 -

1

OS1063

Dalhus, Bjørn; Görbitz, Carl Henrik

Molecular aggregation in selected crystalline 1:1 complexes of hydrophobic D- and L-amino acids. III. The L-leucine and L-valine series

Acta Crystallographica Section C

1,999

55

9

1547

1555

10.1107/S0108270199006162

0.71073

MoKα

0.048

0.04

null

0.123

null

0.114

null

1.053

null

1.083

null

has coordinates

Dalhus, Bjørn; Görbitz, Carl Henrik Molecular aggregation in selected crystalline 1:1 complexes of hydrophobic D- and L-amino acids. III. The L-leucine and L-valine series Acta Crystallographica Section C 55(9) (1999) 1547-1555

301,791

2025-08-18

23:15:33

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/89/2008943.cif $ #-------------------------------------------------------------------...

2,008,944

5.1451

0.0001

28.0517

0.0005

5.4068

0.0001

90

null

111.423

0.001

90

null

726.44

0.02

150

2

150

2

null

5

P 1 21 1

P 2yb

4

L-Leucine:D-methionine

- C11 H24 N2 O4 S -

- C22 H48 N4 O8 S2 -

2

1

OS1063

Dalhus, Bjørn; Görbitz, Carl Henrik

Molecular aggregation in selected crystalline 1:1 complexes of hydrophobic D- and L-amino acids. III. The L-leucine and L-valine series

Acta Crystallographica Section C

1,999

55

9

1547

1555

10.1107/S0108270199006162

0.71073

MoKα

0.126

0.081

null

0.173

null

1.095

null

has coordinates

Dalhus, Bjørn; Görbitz, Carl Henrik Molecular aggregation in selected crystalline 1:1 complexes of hydrophobic D- and L-amino acids. III. The L-leucine and L-valine series Acta Crystallographica Section C 55(9) (1999) 1547-1555

301,791

2025-08-18

23:15:33

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/89/2008944.cif $ #-------------------------------------------------------------------...

2,008,945

5.2002

0.0001

25.1334

0.0004

5.4157

0.0001

90

null

110.796

0.001

90

null

661.71

0.02

150

2

150

2

null

4

P 1 21 1

P 2yb

4

L-leucine:D-valine

- C11 H24 N2 O4 -

- C22 H48 N4 O8 -

2

1

OS1063

Dalhus, Bjørn; Görbitz, Carl Henrik

Molecular aggregation in selected crystalline 1:1 complexes of hydrophobic D- and L-amino acids. III. The L-leucine and L-valine series

Acta Crystallographica Section C

1,999

55

9

1547

1555

10.1107/S0108270199006162

0.71073

MoKα

0.039

0.037

null

0.102

null

0.095

null

1.108

null

1.108

null

has coordinates

Dalhus, Bjørn; Görbitz, Carl Henrik Molecular aggregation in selected crystalline 1:1 complexes of hydrophobic D- and L-amino acids. III. The L-leucine and L-valine series Acta Crystallographica Section C 55(9) (1999) 1547-1555

301,791

2025-08-18

23:15:33

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/89/2008945.cif $ #-------------------------------------------------------------------...

2,008,946

9.9562

0.0001

4.7417

0.0001

12.7833

0.0001

90

null

106.843

0.001

90

null

577.602

0.015

150

2

150

2

null

4

P 1 21 1

P 2yb

4

L-valine:D-2-aminobutanoic acid

- C9 H20 N2 O4 -

- C18 H40 N4 O8 -

2

1

OS1063

Dalhus, Bjørn; Görbitz, Carl Henrik

Molecular aggregation in selected crystalline 1:1 complexes of hydrophobic D- and L-amino acids. III. The L-leucine and L-valine series

Acta Crystallographica Section C

1,999

55

9

1547

1555

10.1107/S0108270199006162

0.71073

MoKα

0.045

0.04

null

0.108

null

0.104

null

1.018

null

1.046

null

has coordinates

Dalhus, Bjørn; Görbitz, Carl Henrik Molecular aggregation in selected crystalline 1:1 complexes of hydrophobic D- and L-amino acids. III. The L-leucine and L-valine series Acta Crystallographica Section C 55(9) (1999) 1547-1555

301,791

2025-08-18

23:15:33

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/89/2008946.cif $ #-------------------------------------------------------------------...

7,106,467

9.8745

0.0008

30.983

0.003

11.4305

0.0009

90

null

97.643

0.002

90

null

3,466

0.5

298

2

298

2

null

6

P 1 21/c 1

-P 2ybc

14

- C36 H27 F6 Ir N5 P -

- C144 H108 F24 Ir4 N20 P4 -

4

1

Lei He; Lian Duan; Juan Qiao; Deqiang Zhang; Liduo Wang; Yong Qiu

Enhanced Stability of Blue-Green Light-Emitting Electrochemical Cells Based on a Cationic Iridium Complex with an Intramolecular Phenyl-Phenyl Stacking Interaction

Chem.Commun.

2,011

47

6467

10.1039/c1cc11263e

0.71073

MoKα

0.0479

0.0344

null

0.0646

0.0679

null

1.141

null

has coordinates

Lei He; Lian Duan; Juan Qiao; Deqiang Zhang; Liduo Wang; Yong Qiu Enhanced Stability of Blue-Green Light-Emitting Electrochemical Cells Based on a Cationic Iridium Complex with an Intramolecular Phenyl-Phenyl Stacking Interaction Chem.Commun. 47 (2011) 6467

180,168

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-26 03:05:44 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180168 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/10/64/7106467.cif $ #-------------------------------------------------------------------...

2,008,947

27.2288

0.0002

4.7397

0.0001

9.9535

0.0001

90

null

96.091

0.001

90

null

1,277.31

0.03

150

2

150

2

null

4

C 1 2 1

C 2y

5

L-valine:D-2-aminopentanoic acid

- C10 H22 N2 O4 -

- C40 H88 N8 O16 -

4

1

OS1063

Dalhus, Bjørn; Görbitz, Carl Henrik

Molecular aggregation in selected crystalline 1:1 complexes of hydrophobic D- and L-amino acids. III. The L-leucine and L-valine series

Acta Crystallographica Section C

1,999

55

9

1547

1555

10.1107/S0108270199006162

0.71073

MoKα

0.04

0.034

null

0.102

null

0.097

null

1.095

null

1.11

null

has coordinates

Dalhus, Bjørn; Görbitz, Carl Henrik Molecular aggregation in selected crystalline 1:1 complexes of hydrophobic D- and L-amino acids. III. The L-leucine and L-valine series Acta Crystallographica Section C 55(9) (1999) 1547-1555

301,791

2025-08-18

23:15:33

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/89/2008947.cif $ #-------------------------------------------------------------------...

2,008,948

28.9379

0.0002

4.7032

0.0001

10.0011

0.0001

90

null

90

null

90

null

1,361.16

0.03

150

2

150

2

null

5

P 21 21 21

P 2ac 2ab

19

L-valine:D-methionine

- C10 H22 N2 O4 S -

- C40 H88 N8 O16 S4 -

4

1

OS1063

Dalhus, Bjørn; Görbitz, Carl Henrik

Molecular aggregation in selected crystalline 1:1 complexes of hydrophobic D- and L-amino acids. III. The L-leucine and L-valine series

Acta Crystallographica Section C

1,999

55

9

1547

1555

10.1107/S0108270199006162

0.71073

MoKα

0.07

0.052

null

0.117

null

0.109

null

1.133

null

1.168

null

has coordinates

Dalhus, Bjørn; Görbitz, Carl Henrik Molecular aggregation in selected crystalline 1:1 complexes of hydrophobic D- and L-amino acids. III. The L-leucine and L-valine series Acta Crystallographica Section C 55(9) (1999) 1547-1555

301,791

2025-08-18

23:15:33

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/89/2008948.cif $ #-------------------------------------------------------------------...

2,008,949

18.093

0.003

5.093

0.002

13.358

0.002

90

null

105.48

0.02

90

null

1,186.3

0.5

293

2

293

2

null

4

P 1 21/c 1

-P 2ybc

14

2:1 N^6^,N^6^-Dimethyladenine:Tetraiodoethene

- C16 H18 I4 N10 -

- C8 H9 I2 N5 -

- C32 H36 I8 N20 -

4

1

OS1064

Dahl, Tor

N^6^,N^6^-Dimethyladenine‒tetraiodoethene (2/1)

Acta Crystallographica Section C

1,999

55

9

1568

1570

10.1107/S0108270199006472

0.7107

MoKα

0.0516

0.0303

null

0.0832

null

1.041

null

has coordinates

Dahl, Tor N^6^,N^6^-Dimethyladenine‒tetraiodoethene (2/1) Acta Crystallographica Section C 55(9) (1999) 1568-1570

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/2/00/89/2008949.cif $ #-------------------------------------------------------------------...

2,008,950

6.676

0.005

24.324

0.007

17.66

0.01

90

null

95.87

0.06

90

null

2,853

3

298.2

null

298.2

null

5

P 1 21/n 1

-P 2yn

14

- C26 H33 Cl N5 O8.5 -

- C26 H32 Cl N5 O8.5 -

- C104 H128 Cl4 N20 O34 -

4

1

QA0146

Vyas, K.; Moses Babu, J.; Om Reddy, G.

Domperidone maleate

Acta Crystallographica Section C

1,999

55

9

IUC9900104

10.1107/S010827019909887X

1.5418

CuKα

0.085

0.062

null

0.082

null

0.078

null

1.807

null

1.964

null

has coordinates

Vyas, K.; Moses Babu, J.; Om Reddy, G. Domperidone maleate Acta Crystallographica Section C 55(9) (1999) IUC9900104

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/2/00/89/2008950.cif $ #-------------------------------------------------------------------...

2,008,951

11.607

0.002

20.097

0.005

10.449

0.004

90

null

90

null

90

null

2,437.4

1.2

298.2

null

298.2

null

4

P 21 21 21

P 2ac 2ab

19

- C24 H42 N2 O3 -

- C96 H168 N8 O12 -

4

1

QA0147

Moses Babu,J.; Ravindra Kumar, Y.; Vyas, K.; Om Reddy, G.; Rajan, S. T.; Reddy, M. S. N.

N-tert-Butyl-3-oxo-4-aza-5β,17β-androstane-17-carboxamide methanol solvate, a finasteride impurity

Acta Crystallographica Section C

1,999

55

9

IUC9900105

10.1107/S0108270199098868

1.5418

CuKα

0.101

0.081

null

0.12

null

0.114

null

1.862

null

1.976

null

has coordinates

Moses Babu,J.; Ravindra Kumar, Y.; Vyas, K.; Om Reddy, G.; Rajan, S. T.; Reddy, M. S. N. N-tert-Butyl-3-oxo-4-aza-5β,17β-androstane-17-carboxamide methanol solvate, a finasteride impurity Acta Crystallographica Section C 55(9) (1999) IUC9900105

301,791

2025-08-18

23:15:33

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2,008,952

7.2989

0.0001

9.2859

0.0001

12.4017

0.0001

89.4709

0.0003

87.8567

0.0002

70.768

0.0003

793.08

0.015

100

1

100

1

null

3

P 1

1

- C18.5 H26 O2.5 -

- C37 H52 O5 -

2

QA0149

Parrish, Damon A.; Pinkerton, A. Alan

Estradiol methanol hemisolvate

Acta Crystallographica Section C

1,999

55

9

IUC9900100

10.1107/S0108270199098856

0.71073

MoKα

0.082

0.043

null

0.116

null

0.941

null

has coordinates,has Fobs

Parrish, Damon A.; Pinkerton, A. Alan Estradiol methanol hemisolvate Acta Crystallographica Section C 55(9) (1999) IUC9900100

301,791

2025-08-18

23:15:33

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2,008,953

14.373

0.007

11.078

0.007

16.788

0.008

90

null

107.67

0.05

90

null

2,547

2

173

2

173

2

null

7

P 1 21/n 1

-P 2yn

14

[bis(2,2'-bipyridine)(pyridine-2-carboxylato)ruthenium(II)] hexafluorophosphate

- C26 H20 F6 N5 O2 P Ru -

- C104 H80 F24 N20 O8 P4 Ru4 -

4

1

QA0150

Lashgari, Kianosh; Norrestam, Rolf; Åkermark, Björn

Bis(2,2'-bipyridine)(pyridine-2-carboxylate)ruthenium(II) hexafluorophosphate at 173K

Acta Crystallographica Section C

1,999

55

9

IUC9900108

10.1107/S0108270199098881

0.71073

MoKα

0.062

0.036

null

0.105

null

1.001

null

has coordinates

Lashgari, Kianosh; Norrestam, Rolf; Åkermark, Björn Bis(2,2'-bipyridine)(pyridine-2-carboxylate)ruthenium(II) hexafluorophosphate at 173K Acta Crystallographica Section C 55(9) (1999) IUC9900108

301,791

2025-08-18

23:15:33

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7,106,466

16.4918

0.0003

22.0793

0.0004

22.2875

0.0004

90

null

90

null

90

null

8,115.5

0.3

100

2

100

2

null

4

P b c a

-P 2ac 2ab

61

- C68 H64 N32 O33.5 -

- C68 H64 N32 O33.508 -

- C272 H256 N128 O134.032 -

4

0.5

Barry Pemberton; Raushan Singh; Alexander C. Johnson; Steffen Jockusch; Jose Paulo Da Silva; Angel Ugrinov; Nicholas J. Turro; D. K. Srivastava; Jayaraman Sivaguru

Supramolecular photocatalysis: insights into cucurbit[8]uril catalyzed photodimerization of 6-methylcoumarin

Chem.Commun.

2,011

47

6323

10.1039/c1cc11164g

1.54178

CuKα

0.077

0.0705

null

0.1966

0.2084

null

1.067

null

has coordinates,has disorder

Barry Pemberton; Raushan Singh; Alexander C. Johnson; Steffen Jockusch; Jose Paulo Da Silva; Angel Ugrinov; Nicholas J. Turro; D. K. Srivastava; Jayaraman Sivaguru Supramolecular photocatalysis: insights into cucurbit[8]uril catalyzed photodimerization of 6-methylcoumarin Chem.Commun. 47 (2011) 6323

180,168

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-26 03:05:44 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180168 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/10/64/7106466.cif $ #-------------------------------------------------------------------...

2,008,954

11.078

0.002

12.869

0.002

28.77

0.005

90

null

100.17

0.01

90

null

4,037.1

1.2

203

2

203

2

null

6

P 1 21/n 1

-P 2yn

14

Octacarbonyl-μ-dicyclohexylphosphido-dirhenium-silver-triphenylphosphane

- C38 H37 Ag O8 P2 Re2 -

- C152 H148 Ag4 O32 P8 Re8 -

4

1

QA0152

Flörke, Ulrich; Haupt, Hans-Jürgen

Octacarbonyl-1κ^4^C,2κ^4^C-μ-dicyclohexylphosphido-1:2κ^2^P:P-triphenylphosphine-2κP-silverdirhenium(2 Re—Ag)

Acta Crystallographica Section C

1,999

55

9

IUC9900106

10.1107/S010827019909890X

0.71073

MoKα

0.086

0.048

null

0.077

null

1.165

null

has coordinates

Flörke, Ulrich; Haupt, Hans-Jürgen Octacarbonyl-1κ^4^C,2κ^4^C-μ-dicyclohexylphosphido-1:2κ^2^P:P-triphenylphosphine-2κP-silverdirhenium(2 Re—Ag) Acta Crystallographica Section C 55(9) (1999) IUC9900106

176,759

2020-10-21

18:00:00

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2,008,955

16.283

0.001

10.694

0.001

15.038

0.002

90

null

91.443

0.009

90

null

2,617.7

0.5

298

2

298

2

null

5

C 1 2/c 1

-C 2yc

15

2,2'-Iminodipyridinium(1+) dichlorotriphenylstannate

- C28 H25 Cl2 N3 Sn -

- C112 H100 Cl8 N12 Sn4 -

4

0.5

QA0153

Ng, Seik Weng

2,2'-Iminodipyridinium(1+) dichlorotriphenylstannate and 2,2'-iminodipyridinium(1+) tricyclohexylbis(trifluoroacetato)stannate

Acta Crystallographica Section C

1,999

55

9

IUC9900098

10.1107/S0108270199098923

0.71073

MoKα

0.0513

0.0484

null

0.1449

null

1.141

null

has coordinates,has disorder

Ng, Seik Weng 2,2'-Iminodipyridinium(1+) dichlorotriphenylstannate and 2,2'-iminodipyridinium(1+) tricyclohexylbis(trifluoroacetato)stannate Acta Crystallographica Section C 55(9) (1999) IUC9900098

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/2/00/89/2008955.cif $ #-------------------------------------------------------------------...

2,008,956

18.8548

0.0008

10.9063

0.0007

17.591

0.002

90

null

99.678

0.005

90

null

3,565.9

0.5

298

2

298

2

null

6

C 1 2/c 1

-C 2yc

15

2,2'-Iminodipyridinium(1+) bis(trifluoroacetato)tricyclohexylstannate

- C32 H43 F6 N3 O4 Sn -

- C128 H172 F24 N12 O16 Sn4 -

4

0.5

QA0153

Ng, Seik Weng

2,2'-Iminodipyridinium(1+) dichlorotriphenylstannate and 2,2'-iminodipyridinium(1+) tricyclohexylbis(trifluoroacetato)stannate

Acta Crystallographica Section C

1,999

55

9

IUC9900098

10.1107/S0108270199098923

0.71073

MoKα

0.0678

0.0587

null

0.1732

null

1.079

null

has coordinates,has disorder

Ng, Seik Weng 2,2'-Iminodipyridinium(1+) dichlorotriphenylstannate and 2,2'-iminodipyridinium(1+) tricyclohexylbis(trifluoroacetato)stannate Acta Crystallographica Section C 55(9) (1999) IUC9900098

176,759

2020-10-21

18:00:00

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2,008,957

8.409

0.004

9.327

0.004

18.144

0.007

78.555

0.014

76.85

0.02

70.5

0.02

1,294.6

1

293

2

293

2

null

6

P -1

-P 1

2

Bromo (1,10-Phenanthroline-N,N') (Triphenylphosphine) Copper(I)

- C30 H23 Br Cu N2 P -

- C60 H46 Br2 Cu2 N4 P2 -

2

1

QA0154

Jin, Qiong-Hua; Xin, Xiu-Lan; Zhu, Fu-Jiang

Bromo(1,10-phenanthroline-N,N')(triphenylphosphine)copper(I)

Acta Crystallographica Section C

1,999

55

9

IUC9900107

10.1107/S0108270199098893

0.71073

MoKα

null

0.037

null

0.086

null

0.948

null

has coordinates

Jin, Qiong-Hua; Xin, Xiu-Lan; Zhu, Fu-Jiang Bromo(1,10-phenanthroline-N,N')(triphenylphosphine)copper(I) Acta Crystallographica Section C 55(9) (1999) IUC9900107

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/2/00/89/2008957.cif $ #-------------------------------------------------------------------...

2,008,958

7.1535

0.0009

5.5819

0.001

5.3279

0.0004

90

null

89.934

0.008

90

null

212.74

0.05

150

2

150

2

null

4

P 1 n 1

P -2yac

7

Disodium zinc germanate

Disodium zinc germanium tetraoxide

- Ge Na2 O4 Zn -

- Ge2 Na4 O8 Zn2 -

2

1

QA0155

Healey, Adam M.; Webster, Michael; Weller, Mark T.

Disodium zinc germanium tetraoxide

Acta Crystallographica Section C

1,999

55

9

IUC9900099

10.1107/S0108270199098935

0.71073

MoKα

0.023

0.022

null

0.054

null

1.259

null

has coordinates,has Fobs

Healey, Adam M.; Webster, Michael; Weller, Mark T. Disodium zinc germanium tetraoxide Acta Crystallographica Section C 55(9) (1999) IUC9900099

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/2/00/89/2008958.cif $ #-------------------------------------------------------------------...

7,106,465

11.2549

0.0002

18.963

0.0003

36.8567

0.0008

90

null

98.605

0.002

90

null

7,777.7

0.3

293

2

293

2

null

synthesis

9

P 1 21/n 1

-P 2yn

14

- C32 H32 F6 N O5 P3 Re S Sb -

- C256 H256 F48 N8 O40 P24 Re8 S8 Sb8 -

8

2

García-Álvarez, Joaquún; Díez, Josefina; Gimeno, José; Seifried, Christine M.

Re(I) Catalysed Isomerisation of Propargylic Alcohols into α,β-Unsaturated Carbonyl Compounds: An Unprecedented Recyclable Catalytic System in Ionic Liquids.

Chem.Commun.

2,011

47

6470

6472

10.1039/c1cc10768b

0.71073

MoKα

0.1207

0.0345

null

0.0564

0.0625

null

0.684

null

has coordinates

García-Álvarez, Joaquún; Díez, Josefina; Gimeno, José; Seifried, Christine M. Re(I) Catalysed Isomerisation of Propargylic Alcohols into α,β-Unsaturated Carbonyl Compounds: An Unprecedented Recyclable Catalytic System in Ionic Liquids. Chem.Commun. 47 (2011) 6470-6472

180,168

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-26 03:05:44 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180168 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/10/64/7106465.cif $ #-------------------------------------------------------------------...

2,008,959

23.7306

0.0014

11.9542

0.0012

17.468

0.003

90

null

95.597

0.019

90

null

4,931.7

1

294

1

294

1

null

6

C 1 2/c 1

-C 2yc

15

trans-Bis(triphenylphosphine)bis(tert-butylisocyanide)rhodium(I) nido-7,8-dicarbaundecaborane.

- C48 H60 B9 N2 P2 Rh -

- C46 H60 B11.402 N2 P2 Rh -

- C184 H240 B45.608 N8 P8 Rh4 -

4

0.5

QA0156

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

trans-Bis(tert-butylisocyanido-C)bis(triphenylphosphine-P)rhodium(I) nido-7,8-dicarbaundecarboranide

Acta Crystallographica Section C

1,999

55

9

IUC9900103

10.1107/S0108270199098911

0.71073

MoKα

0.049

0.034

null

0.09

null

1.194

null

has coordinates,has disorder

Ferguson, George; McEneaney, Patricia A.; Spalding, Trevor R. trans-Bis(tert-butylisocyanido-C)bis(triphenylphosphine-P)rhodium(I) nido-7,8-dicarbaundecarboranide Acta Crystallographica Section C 55(9) (1999) IUC9900103

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/2/00/89/2008959.cif $ #-------------------------------------------------------------------...

2,008,960

6.1965

0.0012

13.025

0.003

10.419

0.002

90

null

103.88

0.03

90

null

816.4

0.3

298

2

298

2

null

4

P 1 21/c 1

-P 2ybc

14

ethyl viologen diiodide

N,N'-diethyl-4,4'-bipyridinium diiodide

- C14 H18 I2 N2 -

- C28 H36 I4 N4 -

2

0.5

QA0157

Eckert, Nathan A.; Krause Bauer, Jeanette A.; Connick, William B.

N,N'-Diethyl-4,4'-bipyridinium diiodide

Acta Crystallographica Section C

1,999

55

9

IUC9900101

10.1107/S0108270199098844

0.71073

MoKα

0.033

0.027

null

0.073

null

0.068

null

1.112

null

has coordinates,has Fobs

Eckert, Nathan A.; Krause Bauer, Jeanette A.; Connick, William B. N,N'-Diethyl-4,4'-bipyridinium diiodide Acta Crystallographica Section C 55(9) (1999) IUC9900101

301,791

2025-08-18

23:15:33

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/89/2008960.cif $ #-------------------------------------------------------------------...

2,008,961

12.951

0.003

9.977

0.002

11.131

0.002

90

null

113.52

0.03

90

null

1,318.8

0.6

297

2

297

2

null

5

P 1 21/c 1

-P 2ybc

14

2,2,6,6-tetramethyl-4-(methylsulfonyl-oxyl)-1-piperidinooxy

- C10 H20 N O4 S -

- C40 H80 N4 O16 S4 -

4

1

QA0158

Homrighausen, Craig L.; Krause Bauer, Jeanette A.

2,2,6,6-Tetramethyl-4-(methylsulfonyloxy)piperidinyl 1-oxide

Acta Crystallographica Section C

1,999

55

9

IUC9900102

10.1107/S0108270199098832

0.71073

MoKα

0.091

0.053

null

0.129

null

1.073

null

has coordinates,has Fobs

Homrighausen, Craig L.; Krause Bauer, Jeanette A. 2,2,6,6-Tetramethyl-4-(methylsulfonyloxy)piperidinyl 1-oxide Acta Crystallographica Section C 55(9) (1999) IUC9900102

201,955

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-10-13 03:08:28 +0300 (Fri, 13 Oct 2017) $ #$Revision: 201955 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/89/2008961.cif $ #-------------------------------------------------------------------...

2,008,962

8.043

0.001

13.288

0.002

17.629

0.002

90

null

96.34

0.03

90

null

1,872.6

0.4

291

1

291

2

null

4

P 1 21/n 1

-P 2yn

14

- C20 H20 Cl2 O5 -

- C80 H80 Cl8 O20 -

4

1

QA0159

Meinhardt, Sven; Schürmann, Markus; Preut, Hans; Eilbracht, Peter

Dimethyl 2-(5,8-dichloro-10-oxotricyclo[7.3.2.0^2,7^]tetradeca-2(7),3,5,11-tetraen-6-ylmethyl)malonate

Acta Crystallographica Section C

1,999

55

9

IUC9900110

10.1107/S0108270199098820

0.71069

MoKα

0.056

0.04

null

0.112

null

1.013

null

has coordinates

Meinhardt, Sven; Schürmann, Markus; Preut, Hans; Eilbracht, Peter Dimethyl 2-(5,8-dichloro-10-oxotricyclo[7.3.2.0^2,7^]tetradeca-2(7),3,5,11-tetraen-6-ylmethyl)malonate Acta Crystallographica Section C 55(9) (1999) IUC9900110

301,791

2025-08-18

23:15:33

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/89/2008962.cif $ #-------------------------------------------------------------------...

2,008,963

9.8615

0.0001

10.6446

0.0002

13.6513

0.0001

90

null

90

null

90

null

1,433

0.03

173

2

173

2

null

4

P b c a

-P 2ac 2ab

61

tert-Butylhydrazine hydrochloride

t-Butylhydrazine hydrochloride

- C4 H13 Cl N2 -

- C32 H104 Cl8 N16 -

8

1

QA0162

Schumann, Herbert; Gottfriedsen, Jochen; Dechert, Sebastian

Redetermination of tert-butylhydrazinium chloride

Acta Crystallographica Section C

1,999

55

9

IUC9900109

10.1107/S0108270199098819

0.71073

MoKα

0.035

0.029

null

0.081

null

1.074

null

has coordinates,has Fobs

Schumann, Herbert; Gottfriedsen, Jochen; Dechert, Sebastian Redetermination of tert-butylhydrazinium chloride Acta Crystallographica Section C 55(9) (1999) IUC9900109

301,791

2025-08-18

23:15:33

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/89/2008963.cif $ #-------------------------------------------------------------------...

4,321,895

9.5861

0.0009

12.472

0.001

8.2247

0.0008

100.78

0.01

93.582

0.009

93.529

0.009

961.39

0.16

296.2

null

296.2

null

synthetic

6

P -1

-P 1

2

- C21 H14 Cl N3 Pt S2 -

- C42 H28 Cl2 N6 Pt2 S4 -

2

1

F. Teixidor; P. Anglès; C. Viñas; R. Kivekäs; R. Sillanpää

Asymmetric Benzothiophene Condensation Facilitated by Platinum(II). The Distinct Roles of Platinum(II) and Palladium(II)

Inorganic Chemistry

1,999

38

1642

1644

10.1021/ic971425y

0.7107

MoKα

0.0277

0.028

null

0.0245

null

0.024

null

1.497

null

1.5

null

has coordinates

F. Teixidor; P. Anglès; C. Viñas; R. Kivekäs; R. Sillanpää Asymmetric Benzothiophene Condensation Facilitated by Platinum(II). The Distinct Roles of Platinum(II) and Palladium(II) Inorganic Chemistry 38 (1999) 1642-1644

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/4/32/18/4321895.cif $ #-------------------------------------------------------------------...

2,008,964

5.6779

0.001

6.3017

0.0011

20.48

0.003

88.37

0.011

86.483

0.007

70.162

0.011

688

0.2

134

2

134

2

null

3

P -1

-P 1

2

(±)-(3'aα,3'bα,6'aα,7'aα)-octahydro-5,5-dimethyl-spiro[1,3-dioxane- 2,5'(2'H)pentaleno[2,1-b]furan]-2'-one

- C15 H22 O4 -

- C30 H44 O8 -

2

1

QA0163

Bats, Jan W.; Öhlinger, Stefan H.; Mulzer, Johann

(±)-(3'aα,3'bα,6'aα,7'aα)- and (±)-(3'aα,3'bβ,6'aβ,7'aα)-2,3,3a,3b,4,5,6,6a,7,7a-decahydro-5,5-dimethylspiro[1,3-dioxane-2,5'-pentaleno[2,1-b]furan]-2'-one

Acta Crystallographica Section C

1,999

55

9

IUC9900111

10.1107/S0108270199098807

0.71073

MoKα

0.045

0.039

null

0.125

null

1.557

null

has coordinates

Bats, Jan W.; Öhlinger, Stefan H.; Mulzer, Johann (±)-(3'aα,3'bα,6'aα,7'aα)- and (±)-(3'aα,3'bβ,6'aβ,7'aα)-2,3,3a,3b,4,5,6,6a,7,7a-decahydro-5,5-dimethylspiro[1,3-dioxane-2,5'-pentaleno[2,1-b]furan]-2'-one Acta Crystallographica Section C 55(9) (1999) IUC9900111

301,791

2025-08-18

23:15:33

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2,008,965

6.6228

0.0015

21.651

0.003

9.5738

0.0012

90

null

100.106

0.014

90

null

1,351.5

0.4

135

2

135

2

null

3

P 1 21/c 1

-P 2ybc

14

(±)-(3'aα,3'bβ,6'aβ,7'aα)-octahydro-5,5-dimethyl-spiro[1,3-dioxane- 2,5'(2'H)pentaleno[2,1-b]furan]-2'-one

- C15 H22 O4 -

- C60 H88 O16 -

4

1

QA0163

Bats, Jan W.; Öhlinger, Stefan H.; Mulzer, Johann

(±)-(3'aα,3'bα,6'aα,7'aα)- and (±)-(3'aα,3'bβ,6'aβ,7'aα)-2,3,3a,3b,4,5,6,6a,7,7a-decahydro-5,5-dimethylspiro[1,3-dioxane-2,5'-pentaleno[2,1-b]furan]-2'-one

Acta Crystallographica Section C

1,999

55

9

IUC9900111

10.1107/S0108270199098807

0.71073

MoKα

0.081

0.05

null

0.127

null

1.289

null

has coordinates

Bats, Jan W.; Öhlinger, Stefan H.; Mulzer, Johann (±)-(3'aα,3'bα,6'aα,7'aα)- and (±)-(3'aα,3'bβ,6'aβ,7'aα)-2,3,3a,3b,4,5,6,6a,7,7a-decahydro-5,5-dimethylspiro[1,3-dioxane-2,5'-pentaleno[2,1-b]furan]-2'-one Acta Crystallographica Section C 55(9) (1999) IUC9900111

301,791

2025-08-18

23:15:33

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/89/2008965.cif $ #-------------------------------------------------------------------...

2,008,966

4.7711

0.0007

12.4592

0.001

14.9907

0.0013

90

null

94.37

0.01

90

null

888.52

0.17

295

null

6

P 1 21/n 1

-P 2yn

14

- C12 H10 Cl6 Cu N2 O2 -

- C24 H20 Cl12 Cu2 N4 O4 -

2

0.5

SK1268

Gökağaç, Gülsün; Tatar, Leyla; Kısakürek, Duygu; Ülkü, Dinçer

Diamminebis(2,4,6-trichlorophenolato)copper(II)

Acta Crystallographica Section C

1,999

55

9

1413

1416

10.1107/S0108270199006447

0.71073

MoKα

null

0.0314

null

0.0379

null

1

null

has coordinates

Gökağaç, Gülsün; Tatar, Leyla; Kısakürek, Duygu; Ülkü, Dinçer Diamminebis(2,4,6-trichlorophenolato)copper(II) Acta Crystallographica Section C 55(9) (1999) 1413-1416

301,791

2025-08-18

23:15:33

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/89/2008966.cif $ #-------------------------------------------------------------------...

2,008,967

14.945

0.002

14.945

0.002

39.572

0.002

90

null

90

null

90

null

8,838.5

1.7

293

2

293

2

null

3

P 43 21 2

P 4nw 2abw

96

(2S,3S,9S,10S)-2,3,9,10-Tetraphenyl-1,4,8,11-tetraoxacyclotetradecane-6,13-dione

- C34 H32 O6 -

- C408 H384 O72 -

12

1.5

SK1289

Choong Eui Song; Yang Hee Kim; Kwan Mook Kim; Dae Yoon Chi; Jong Hwa Jeong

Cocrystallization of two conformers of (2S,3S,9S,10S)-2,3,9,10-tetraphenyl-1,4,8,11-tetraoxacyclotetradecane-6,13-dione

Acta Crystallographica Section C

1,999

55

9

1574

1575

10.1107/S0108270199006976

0.71073

MoKα

0.1353

0.0468

null

0.1496

null

0.999

null

has coordinates

Choong Eui Song; Yang Hee Kim; Kwan Mook Kim; Dae Yoon Chi; Jong Hwa Jeong Cocrystallization of two conformers of (2S,3S,9S,10S)-2,3,9,10-tetraphenyl-1,4,8,11-tetraoxacyclotetradecane-6,13-dione Acta Crystallographica Section C 55(9) (1999) 1574-1575

303,290

2025-11-13

8:08:07

#------------------------------------------------------------------------------ #$Date: 2025-11-13 10:08:07 +0200 (Thu, 13 Nov 2025) $ #$Revision: 303290 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/89/2008967.cif $ #-------------------------------------------------------------------...

7,106,464

8.0823

0.0007

16.6905

0.0014

25.88

0.002

90

null

97.306

0.002

90

null

3,462.8

0.5

100

2

100

2

null

4

P 1 21/n 1

-P 2yn

14

- C37 H32 N10 O8 -

- C148 H128 N40 O32 -

4

1

'Wei Qiang Ong; Huaiqing Zhao; Zhiyun Du; Jared Ze Yang Yeh; Changliang Ren; Leon Zhen Wei Tan; Kun Zhang; Huaqiang Zeng

Computational prediction and experimental verification of pyridine-based helical oligoamides containing four repeating units per helical turn

Chem.Commun.

2,011

47

6416

10.1039/c1cc11532d

0.71073

MoKα

0.0722

0.0542

null

0.1351

0.1437

null

1.065

null

has coordinates,has disorder

'Wei Qiang Ong; Huaiqing Zhao; Zhiyun Du; Jared Ze Yang Yeh; Changliang Ren; Leon Zhen Wei Tan; Kun Zhang; Huaqiang Zeng Computational prediction and experimental verification of pyridine-based helical oligoamides containing four repeating units per helical turn Chem.Commun. 47 (2011) 6416

301,853

2025-08-21

21:50:04

#------------------------------------------------------------------------------ #$Date: 2025-08-22 00:26:11 +0300 (Fri, 22 Aug 2025) $ #$Revision: 301853 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/10/64/7106464.cif $ #-------------------------------------------------------------------...

2,008,968

8.6086

0.0003

11.5661

0.0004

14.765

0.0005

90

null

91.554

0.001

90

null

1,469.58

0.09

293

2

293

2

null

6

P 1 21/c 1

-P 2ybc

14

Phenyl(diisopropylamino)-chlorophosphine sulphide

- C12 H19 Cl N P S -

- C48 H76 Cl4 N4 P4 S4 -

4

1

SK1290

S.Renganayaki; E.Subramanian; S.Shanmuga Sundara Raj; Hoong-Kun Fun

Chloro(diisopropylamino)(phenyl)phosphine sulfide

Acta Crystallographica Section C

1,999

55

9

1525

1526

10.1107/S0108270199006435

0.71073

MoKα

0.1601

0.0619

null

0.125

null

1

null

has coordinates

S.Renganayaki; E.Subramanian; S.Shanmuga Sundara Raj; Hoong-Kun Fun Chloro(diisopropylamino)(phenyl)phosphine sulfide Acta Crystallographica Section C 55(9) (1999) 1525-1526

301,791

2025-08-18

23:15:33

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/89/2008968.cif $ #-------------------------------------------------------------------...

2,008,969

11.4095

0.0009

12.3701

0.0006

13.1335

0.001

90

null

92.864

0.009

90

null

1,851.3

0.2

193

2

193

2

null

5

P 1 21/n 1

-P 2yn

14

(Pyrazole-N^2^)(2,2-dimethyl-N-salicylideneglycinato-O,N,O')copper(II) pyrazole solvate

- C34 H38 Cu2 N10 O6 -

- C68 H76 Cu4 N20 O12 -

2

0.5

SK1292

Elizabeth Hill; Warda, Salam A.

Dimeric (pyrazole-N^2^)(N-salicylidene-2,2-dimethylglycinato-O,N,O')copper(II) pyrazole solvate

Acta Crystallographica Section C

1,999

55

9

1431

1434

10.1107/S0108270199006988

0.71073

MoKα

null

0.0307

null

0.0743

null

0.946

null

has coordinates

Elizabeth Hill; Warda, Salam A. Dimeric (pyrazole-N^2^)(N-salicylidene-2,2-dimethylglycinato-O,N,O')copper(II) pyrazole solvate Acta Crystallographica Section C 55(9) (1999) 1431-1434

301,791

2025-08-18

23:15:33

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/89/2008969.cif $ #-------------------------------------------------------------------...

2,008,970

9.6826

0.0011

14.378

0.003

14.797

0.003

63.17

0.06

83.25

0.11

80.17

0.1

1,809.3

1.2

100

0.1

100

0.1

null

4

P -1

-P 1

2

3,5-Dihydroxybenzoic acid–4,4'-bipyridine (2/3)

- C44 H36 N6 O8 -

- C88 H72 N12 O16 -

2

1

SK1293

Wheatley, Paul S.; Lough, Alan J.; Ferguson, George; Glidewell, Christopher

Linking of C^4^~4~(32)[R^4^~4~(30)] chains of rings in the hydrogen-bonded adduct 3,5-dihydroxybenzoic acid–4,4'-bipyridine (2/3) by means of π···π stacking interactions

Acta Crystallographica Section C

1,999

55

9

1489

1492

10.1107/S0108270199006319

0.71073

MoKα

0.138

0.056

null

0.134

null

0.932

null

has coordinates,has Fobs

Wheatley, Paul S.; Lough, Alan J.; Ferguson, George; Glidewell, Christopher Linking of C^4^~4~(32)[R^4^~4~(30)] chains of rings in the hydrogen-bonded adduct 3,5-dihydroxybenzoic acid–4,4'-bipyridine (2/3) by means of π···π stacking interactions Acta Crystallographica Section C 55(9) (1999) 1489-1492

301,791

2025-08-18

23:15:33

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/89/2008970.cif $ #-------------------------------------------------------------------...

2,008,971

7.839

0.002

5.99

0.001

8.244

0.002

90

null

116.88

0.01

90

null

345.28

0.14

173

2

173

2

null

3

P 1 21/c 1

-P 2ybc

14

- C9 H7 N -

- C18 H14 N2 -

2

0.5

SK1296

Hensen, Karl; Mayr-Stein, Ralf; Bolte, Michael

Isoquinoline

Acta Crystallographica Section C

1,999

55

9

1565

1567

10.1107/S0108270199006320

0.71073

MoKα

0.0517

0.047

null

0.1331

null

1.092

null

has coordinates,has Fobs

Hensen, Karl; Mayr-Stein, Ralf; Bolte, Michael Isoquinoline Acta Crystallographica Section C 55(9) (1999) 1565-1567

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/2/00/89/2008971.cif $ #-------------------------------------------------------------------...

2,008,972

19.249

0.0006

7.3915

0.0004

12.6587

0.0006

90

null

92.554

0.003

90

null

1,799.28

0.14

100

0.1

100

0.1

null

4

P 1 21/c 1

-P 2ybc

14

5-Hydroxyisophthalic acid–4,4'-trimethylenedipyridine (1/1)

- C21 H20 N2 O5 -

- C84 H80 N8 O20 -

4

1

SK1297

Wheatley, Paul S.; Lough, Alan J.; Ferguson, George; Glidewell, Christopher

Four interpenetrating three-dimensional frameworks in the hydrogen-bonded structure of 5-hydroxyisophthalic acid–4,4'-trimethylenedipyridine (1/1)

Acta Crystallographica Section C

1,999

55

9

1486

1489

10.1107/S0108270199006356

0.71073

MoKα

0.081

0.046

null

0.116

null

1.025

null

has coordinates,has Fobs

Wheatley, Paul S.; Lough, Alan J.; Ferguson, George; Glidewell, Christopher Four interpenetrating three-dimensional frameworks in the hydrogen-bonded structure of 5-hydroxyisophthalic acid–4,4'-trimethylenedipyridine (1/1) Acta Crystallographica Section C 55(9) (1999) 1486-1489

301,791

2025-08-18

23:15:33

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/89/2008972.cif $ #-------------------------------------------------------------------...

7,106,463

14.2827

0.0005

18.5948

0.0008

25.6428

0.001

90

null

101.134

0.001

90

null

6,682.1

0.5

223

2

223

2

null

5

P 1 21/n 1

-P 2yn

14

- C34 H28 Cl2 N8 O7 -

- C272 H224 Cl16 N64 O56 -

8

2

'Wei Qiang Ong; Huaiqing Zhao; Zhiyun Du; Jared Ze Yang Yeh; Changliang Ren; Leon Zhen Wei Tan; Kun Zhang; Huaqiang Zeng

Computational prediction and experimental verification of pyridine-based helical oligoamides containing four repeating units per helical turn

Chem.Commun.

2,011

47

6416

10.1039/c1cc11532d

0.71073

MoKα

0.1085

0.0738

null

0.1488

0.1644

null

1.1

null

has coordinates

'Wei Qiang Ong; Huaiqing Zhao; Zhiyun Du; Jared Ze Yang Yeh; Changliang Ren; Leon Zhen Wei Tan; Kun Zhang; Huaqiang Zeng Computational prediction and experimental verification of pyridine-based helical oligoamides containing four repeating units per helical turn Chem.Commun. 47 (2011) 6416

301,853

2025-08-21

21:50:04

#------------------------------------------------------------------------------ #$Date: 2025-08-22 00:26:11 +0300 (Fri, 22 Aug 2025) $ #$Revision: 301853 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/10/64/7106463.cif $ #-------------------------------------------------------------------...

2,008,973

7.3437

0.0003

24.6375

0.0008

7.4493

0.0003

90

null

93.295

0.001

90

null

1,345.58

0.09

293

2

293

2

null

6

P 1 21/c 1

-P 2ybc

14

Bis[3-methyl-1-hydroxy-2(1H)-pyridinethioato-O,S]nickel(II)

- C12 H12 N2 Ni O2 S2 -

- C48 H48 N8 Ni4 O8 S8 -

4

1

SK1298

S. Shanmuga Sundara Raj; Hoong-Kun Fun; De-Zhong Niu; Zai-Sheng Lu; Bai-Wang Sun; Bao-Lin Song; Xiao-Zeng You

Bis[1-hydroxy-3-methylpyridine-2(1H)-thionato-O,S]nickel(II)

Acta Crystallographica Section C

1,999

55

9

1410

1411

10.1107/S010827019900699X

0.71073

MoKα

0.062

0.055

null

0.148

null

1.107

null

has coordinates

S. Shanmuga Sundara Raj; Hoong-Kun Fun; De-Zhong Niu; Zai-Sheng Lu; Bai-Wang Sun; Bao-Lin Song; Xiao-Zeng You Bis[1-hydroxy-3-methylpyridine-2(1H)-thionato-O,S]nickel(II) Acta Crystallographica Section C 55(9) (1999) 1410-1411

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/2/00/89/2008973.cif $ #-------------------------------------------------------------------...

2,008,974

7.623

0.0001

9.978

0.0001

19.1161

0.0001

90

null

99.73

0.001

90

null

1,433.1

0.03

293

2

293

2

null

4

P 1 21/c 1

-P 2ybc

14

Methyl 1-(4-chlorobenzyl)-2-oxa-1-cyclohexanecarboxylate (I)

- C15 H17 Cl O3 -

- C60 H68 Cl4 O12 -

4

1

SK1299

H. Surya Prakash Rao; S. Rajamathe; S. Shanmuga Sundara Raj; Kandasamy Chinnakali; Ibrahim Abdul Razak; Hoong-Kun Fun

Methyl 1-(4-chlorobenzyl)-2-oxocyclohexane-1-carboxylate and methyl (2RS,4aRS,8aRS)-2-(4-chlorobenzyl)-3-oxoperhydronaphthalene-2-carboxylate

Acta Crystallographica Section C

1,999

55

9

1519

1522

10.1107/S0108270199007003

0.71073

MoKα

0.067

0.044

null

0.119

null

1.01

null

has coordinates

H. Surya Prakash Rao; S. Rajamathe; S. Shanmuga Sundara Raj; Kandasamy Chinnakali; Ibrahim Abdul Razak; Hoong-Kun Fun Methyl 1-(4-chlorobenzyl)-2-oxocyclohexane-1-carboxylate and methyl (2RS,4aRS,8aRS)-2-(4-chlorobenzyl)-3-oxoperhydronaphthalene-2-carboxylate Acta Crystallographica Section C 55(9) ...

301,791

2025-08-18

23:15:33

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/89/2008974.cif $ #-------------------------------------------------------------------...

2,008,975

11.7762

0.0003

11.8495

0.0004

13.0464

0.0004

90

null

102.905

0.001

90

null

1,774.54

0.09

293

2

293

2

null

4

P 1 21/n 1

-P 2yn

14

Methyl (2R,4aR,8aR)-2-(4-chlorobenzyl)-3-oxoperhydro-2-cyclohexanecarboxylate (II)

- C19 H23 Cl O3 -

- C76 H92 Cl4 O12 -

4

1

SK1299

H. Surya Prakash Rao; S. Rajamathe; S. Shanmuga Sundara Raj; Kandasamy Chinnakali; Ibrahim Abdul Razak; Hoong-Kun Fun

Methyl 1-(4-chlorobenzyl)-2-oxocyclohexane-1-carboxylate and methyl (2RS,4aRS,8aRS)-2-(4-chlorobenzyl)-3-oxoperhydronaphthalene-2-carboxylate

Acta Crystallographica Section C

1,999

55

9

1519

1522

10.1107/S0108270199007003

0.71073

MoKα

0.111

0.054

null

0.139

null

1.008

null

has coordinates

H. Surya Prakash Rao; S. Rajamathe; S. Shanmuga Sundara Raj; Kandasamy Chinnakali; Ibrahim Abdul Razak; Hoong-Kun Fun Methyl 1-(4-chlorobenzyl)-2-oxocyclohexane-1-carboxylate and methyl (2RS,4aRS,8aRS)-2-(4-chlorobenzyl)-3-oxoperhydronaphthalene-2-carboxylate Acta Crystallographica Section C 55(9) ...

301,791

2025-08-18

23:15:33

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/89/2008975.cif $ #-------------------------------------------------------------------...

7,106,462

11.0265

0.0011

7.7675

0.0008

32.872

0.003

90

null

96.551

0.003

90

null

2,797

0.5

100

2

100

2

null

4

P 1 21/n 1

-P 2yn

14

- C29.5 H27 N6 O7.5 -

- C118 H108 N24 O30 -

4

1

'Wei Qiang Ong; Huaiqing Zhao; Zhiyun Du; Jared Ze Yang Yeh; Changliang Ren; Leon Zhen Wei Tan; Kun Zhang; Huaqiang Zeng

Computational prediction and experimental verification of pyridine-based helical oligoamides containing four repeating units per helical turn

Chem.Commun.

2,011

47

6416

10.1039/c1cc11532d

0.71073

MoKα

0.1271

0.1146

null

0.2346

0.2414

null

1.326

null

has coordinates,has disorder

'Wei Qiang Ong; Huaiqing Zhao; Zhiyun Du; Jared Ze Yang Yeh; Changliang Ren; Leon Zhen Wei Tan; Kun Zhang; Huaqiang Zeng Computational prediction and experimental verification of pyridine-based helical oligoamides containing four repeating units per helical turn Chem.Commun. 47 (2011) 6416

301,853

2025-08-21

21:50:04

#------------------------------------------------------------------------------ #$Date: 2025-08-22 00:26:11 +0300 (Fri, 22 Aug 2025) $ #$Revision: 301853 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/10/64/7106462.cif $ #-------------------------------------------------------------------...

2,008,976

9.4742

0.0002

16.6161

0.0004

10.8918

0.0007

90

null

90

null

90

null

1,714.63

0.12

100

2

100

2

null

5

P 21 21 2

P 2 2ab

18

Glutathione

γ-L-Glutamyl-L-cysteinyl-glycine

- C20 H40 N6 O20 S2 -

- C40 H80 N12 O40 S4 -

2

0.5

SX1077

Jelsch, Christian; Didierjean, Claude

The oxidized form of glutathione

Acta Crystallographica Section C

1,999

55

9

1538

1540

10.1107/S0108270199007039

0.56087

AgKα

0.04

0.038

null

0.1

null

1.108

null

has coordinates

Jelsch, Christian; Didierjean, Claude The oxidized form of glutathione Acta Crystallographica Section C 55(9) (1999) 1538-1540

301,791

2025-08-18

23:15:33

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/89/2008976.cif $ #-------------------------------------------------------------------...

2,008,977

11.081

0.008

16.103

0.01

22.211

0.014

90

null

90.38

0.03

90

null

3,963

5

293

2

293

2

null

6

P 1 21/c 1

-P 2ybc

14

Di[Aquo Lithium Di(benzo-15-crown-5)] Tetracopper Hexaiodide

- C56 H42 Cu4 I6 Li2 O22 -

- C56 H84 Cu4 I6 Li2 O22 -

- C112 H168 Cu8 I12 Li4 O44 -

2

0.5

SX1087

Aliya Nurtaeva; Elizabeth M. Holt

Aqua(benzo-15-crown-5)lithium‒hexa-μ-iodotetracopper‒benzo-15-crown-5 (2/1/2), bis[bis(benzo-15-crown-5)caesium] hexa-μ-iodotetracopper and μ-aqua-bis[aqua(18-crown-6)sodium] hexa-μ-iodotetracopper

Acta Crystallographica Section C

1,999

55

9

1453

1457

10.1107/S0108270199007040

0.71073

MoKα

0.212

0.073

null

0.197

null

0.972

null

has coordinates

Aliya Nurtaeva; Elizabeth M. Holt Aqua(benzo-15-crown-5)lithium‒hexa-μ-iodotetracopper‒benzo-15-crown-5 (2/1/2), bis[bis(benzo-15-crown-5)caesium] hexa-μ-iodotetracopper and μ-aqua-bis[aqua(18-crown-6)sodium] hexa-μ-iodotetracopper Acta Crystallographica Section C 55(9) (1999) 1453-1457

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/2/00/89/2008977.cif $ #-------------------------------------------------------------------...

2,008,978

10.896

0.004

16.277

0.005

22.638

0.007

90

null

91.37

0.02

90

null

4,014

2

293

2

293

2

null

6

P 1 21/c 1

-P 2ybc

14

Di[ Cesium di(benzo-15-crown-5)] Tetracopper Hexaiodide

Di[Cesium di(benzo-15-crown-5)] Tetracopper Hexaiodide

- C56 H80 Cs2 Cu4 I6 O20 -

- C112 H160 Cs4 Cu8 I12 O40 -

2

0.5

SX1087

Aliya Nurtaeva; Elizabeth M. Holt

Aqua(benzo-15-crown-5)lithium–hexa-μ-iodotetracopper–benzo-15-crown-5 (2/1/2), bis[bis(benzo-15-crown-5)caesium] hexa-μ-iodotetracopper and μ-aqua-bis[aqua(18-crown-6)sodium] hexa-μ-iodotetracopper

Acta Crystallographica Section C

1,999

55

9

1453

1457

10.1107/S0108270199007040

0.71073

MoKα

0.184

0.064

null

0.181

null

0.96

null

has coordinates

Aliya Nurtaeva; Elizabeth M. Holt Aqua(benzo-15-crown-5)lithium–hexa-μ-iodotetracopper–benzo-15-crown-5 (2/1/2), bis[bis(benzo-15-crown-5)caesium] hexa-μ-iodotetracopper and μ-aqua-bis[aqua(18-crown-6)sodium] hexa-μ-iodotetracopper Acta Crystallographica Section C 55(9) (1999) 1453-1457

301,791

2025-08-18

23:15:33

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/89/2008978.cif $ #-------------------------------------------------------------------...

2,008,979

11.303

0.002

13.926

0.002

15.268

0.003

90

null

96.95

0.01

90

null

2,385.6

0.7

293

2

293

2

null

6

P 1 21/c 1

-P 2ybc

14

Sodium(18-crown-6) Dicopper(I) Triiodide 1.5H~2~O

- C24 H54 Cu4 I6 Na2 O15 -

- C24 H52 Cu4 I12 Na2 O15 -

- C48 H104 Cu8 I24 Na4 O30 -

2

0.5

SX1087

Aliya Nurtaeva; Elizabeth M. Holt

Aqua(benzo-15-crown-5)lithium–hexa-μ-iodotetracopper–benzo-15-crown-5 (2/1/2), bis[bis(benzo-15-crown-5)caesium] hexa-μ-iodotetracopper and μ-aqua-bis[aqua(18-crown-6)sodium] hexa-μ-iodotetracopper

Acta Crystallographica Section C

1,999

55

9

1453

1457

10.1107/S0108270199007040

0.71073

MoKα

0.155

0.047

null

0.104

null

0.852

null

has coordinates

Aliya Nurtaeva; Elizabeth M. Holt Aqua(benzo-15-crown-5)lithium–hexa-μ-iodotetracopper–benzo-15-crown-5 (2/1/2), bis[bis(benzo-15-crown-5)caesium] hexa-μ-iodotetracopper and μ-aqua-bis[aqua(18-crown-6)sodium] hexa-μ-iodotetracopper Acta Crystallographica Section C 55(9) (1999) 1453-1457

283,803

2023-05-16

8:05:52

#------------------------------------------------------------------------------ #$Date: 2023-05-16 11:05:35 +0300 (Tue, 16 May 2023) $ #$Revision: 283803 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/89/2008979.cif $ #-------------------------------------------------------------------...

7,106,461

34.441

0.002

5.281

0.0003

19.1556

0.0012

90

null

90.604

0.001

90

null

3,483.9

0.4

223

2

223

2

null

4

C 1 2/c 1

-C 2yc

15

- C20 H16 N4 O4 -

- C160 H128 N32 O32 -

8

1

'Wei Qiang Ong; Huaiqing Zhao; Zhiyun Du; Jared Ze Yang Yeh; Changliang Ren; Leon Zhen Wei Tan; Kun Zhang; Huaqiang Zeng

Computational prediction and experimental verification of pyridine-based helical oligoamides containing four repeating units per helical turn

Chem.Commun.

2,011

47

6416

10.1039/c1cc11532d

0.71073

MoKα

0.0614

0.0469

null

0.1086

0.1154

null

1.041

null

has coordinates

'Wei Qiang Ong; Huaiqing Zhao; Zhiyun Du; Jared Ze Yang Yeh; Changliang Ren; Leon Zhen Wei Tan; Kun Zhang; Huaqiang Zeng Computational prediction and experimental verification of pyridine-based helical oligoamides containing four repeating units per helical turn Chem.Commun. 47 (2011) 6416

301,853

2025-08-21

21:50:04

#------------------------------------------------------------------------------ #$Date: 2025-08-22 00:26:11 +0300 (Fri, 22 Aug 2025) $ #$Revision: 301853 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/10/64/7106461.cif $ #-------------------------------------------------------------------...