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

2,009,060

10.112

0.002

19.144

0.007

10.511

0.003

90

null

118.35

0.02

90

null

1,790.7

1

293

2

293

2

null

6

P 1 21/n 1

-P 2yn

14

bis[μ-chloro-tricarbonyl(dicyclohexylphosphine)rhenium]

- C30 H46 Cl2 O6 P2 Re2 -

- C60 H92 Cl4 O12 P4 Re4 -

2

0.5

QA0171

Flörke, Ulrich

Di-μ-chloro-bis[tricarbonyl(dicyclohexylphosphine)rhenium]

Acta Crystallographica Section C

1,999

55

10

IUC9900119

10.1107/S0108270199098777

0.71073

MoKα

0.044

0.025

null

0.054

null

1.042

null

has coordinates

Flörke, Ulrich Di-μ-chloro-bis[tricarbonyl(dicyclohexylphosphine)rhenium] Acta Crystallographica Section C 55(10) (1999) IUC9900119

176,759

2020-10-21

18:00:00

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2,009,061

19.75

0.003

19.75

0.003

12.24

0.002

90

null

90

null

120

null

4,134.7

1.1

293

2

293

2

null

5

P 63/m

-P 6c

176

Hexa-tetraethylammonium di-υ~3~iodo-triυ~4~-iodohexkis(iodosilver(I)), (Et~4~N)~6~[Ag~6~I~11~]I

- C48 H120 Ag6 I12 N6 -

- C96 H240 Ag12 I24 N12 -

2

0.166667

QA0172

Zhao, Yingjun; Su, Weiping; Cao, Rong; Hong, Maochun

Hexakis(tetraethylammonium) tri-μ~4~-iodo-di-μ~3~-iodo-hexakis[iodosilver(I)] iodide, (Et~4~ N)~6~[Ag~6~I~11~]I

Acta Crystallographica Section C

1,999

55

10

IUC9900122

10.1107/S0108270199098765

0.71073

MoKα

0.046

0.035

null

0.094

null

0.092

null

1.139

null

1.224

null

has coordinates

Zhao, Yingjun; Su, Weiping; Cao, Rong; Hong, Maochun Hexakis(tetraethylammonium) tri-μ~4~-iodo-di-μ~3~-iodo-hexakis[iodosilver(I)] iodide, (Et~4~ N)~6~[Ag~6~I~11~]I Acta Crystallographica Section C 55(10) (1999) IUC9900122

211,196

2020-10-21

18:00:00

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2,009,062

11.1271

0.0012

9.2899

0.001

14.565

0.003

90

null

100.573

0.005

90

null

1,480

0.4

133

2

133

2

null

5

P 1 21 1

P 2yb

4

tert-Butyl (-)-(2S,3S,4S,5R,6S,R~S~)-3-hydroxy-5-(1-{N-[(R)-1-hydroxy-3-methylbut-2-yl]- 4-methylphenylsulfonimidoyl}ethyl)-4-methyl-2-phenylpyrrolidine-1-carboxylate

- C30 H44 N2 O5 S -

- C60 H88 N4 O10 S2 -

2

1

QA0173

Bats, Jan W.; Heinrich, Timo; Reggelin, Michael

(–)-(2S,3S,4S,5R,R~S~)-1-tert-Butoxycarbonyl-3-hydroxy-5-(1(S)-{N-[(R)-1-hydroxy-3-methylbut-2-yl]-4-methylphenylsulfonimidoyl}ethyl)-4-methyl-2-phenylpyrrolidine at 133K

Acta Crystallographica Section C

1,999

55

10

IUC9900114

10.1107/S0108270199098625

0.71073

MoKα

0.044

0.039

null

0.107

null

1.45

null

has coordinates,has Fobs

Bats, Jan W.; Heinrich, Timo; Reggelin, Michael (–)-(2S,3S,4S,5R,R~S~)-1-tert-Butoxycarbonyl-3-hydroxy-5-(1(S)-{N-[(R)-1-hydroxy-3-methylbut-2-yl]-4-methylphenylsulfonimidoyl}ethyl)-4-methyl-2-phenylpyrrolidine at 133K Acta Crystallographica Section C 55(10...

301,791

2025-08-18

23:15:33

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4,321,886

16.331

0.005

23.908

0.005

19.233

0.006

90

null

99.01

0.01

90

null

7,417

4

295

2

295

2

null

9

P 1 21/n 1

-P 2yn

14

- C80 H71 B2 Cl2 F8 N O P4 Pt2 -

- C320 H284 B8 Cl8 F32 N4 O4 P16 Pt8 -

4

1

Jian Jun Li; Wei Li; Alan J. James; Todd Holbert; Tristan P. Sharp; Paul R. Sharp

Phosphine-Based Dinuclear Platinum(II) Diamido, Amido-Hydroxo, Oxo-Amido, Oxo-Imido, Diimido, and Dihydrazido Complexes1

Inorganic Chemistry

1,999

38

1563

1572

10.1021/ic981246w

0.7107

MoKα

0.0846

0.0311

null

0.0596

0.0653

null

0.999

null

has coordinates

Jian Jun Li; Wei Li; Alan J. James; Todd Holbert; Tristan P. Sharp; Paul R. Sharp Phosphine-Based Dinuclear Platinum(II) Diamido, Amido-Hydroxo, Oxo-Amido, Oxo-Imido, Diimido, and Dihydrazido Complexes1 Inorganic Chemistry 38 (1999) 1563-1572

179,321

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:18:08 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179321 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/18/4321886.cif $ #-------------------------------------------------------------------...

2,009,063

9.314

0.001

12.084

0.001

12.583

0.001

112.804

0.001

108.744

0.001

92.976

0.001

1,210.76

0.19

291

1

291

1

null

4

P -1

-P 1

2

- C26 H29 N O4 -

- C52 H58 N2 O8 -

2

1

QA0174

Canisius, Johannes; Schürmann, Markus; Preut, Hans; Krause, Norbert

Ethyl (E)-2-[benzyl(benzyloxycarbonyl)amino]-6,6-dimethylhept-2-en-4-ynoate

Acta Crystallographica Section C

1,999

55

10

IUC9900118

10.1107/S0108270199098686

0.71069

MoKα

0.142

0.038

null

0.075

null

0.837

null

has coordinates,has disorder

Canisius, Johannes; Schürmann, Markus; Preut, Hans; Krause, Norbert Ethyl (E)-2-[benzyl(benzyloxycarbonyl)amino]-6,6-dimethylhept-2-en-4-ynoate Acta Crystallographica Section C 55(10) (1999) IUC9900118

301,791

2025-08-18

23:15:33

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2,009,064

8.1911

0.0003

9.0791

0.0003

19.2164

0.0008

90

null

97.7742

0.0019

90

null

1,415.95

0.09

150

0.1

150

0.1

null

5

P 1 21/a 1

-P 2yab

14

5-Methyl-3-(1-oxo-nonyl)-1,3,4-thiadiazole-2(3H)-2-thione

- C12 H20 N2 O S2 -

- C48 H80 N8 O4 S8 -

4

1

QA0175

Low, John Nicolson; Cook, Andrew; Imrie, Corrie T.; Wardell, James L.

5-Methyl-3-nonanoyl-1,3,4-thiadiazole-2(3H)-thione and 3-decanoyl-5-methyl-1,3,4-thiadiazole-2(3H)-thione

Acta Crystallographica Section C

1,999

55

10

IUC9900123

10.1107/S0108270199098716

0.71073

MoKα

0.0784

0.0434

null

0.1256

null

1.036

null

has coordinates

Low, John Nicolson; Cook, Andrew; Imrie, Corrie T.; Wardell, James L. 5-Methyl-3-nonanoyl-1,3,4-thiadiazole-2(3H)-thione and 3-decanoyl-5-methyl-1,3,4-thiadiazole-2(3H)-thione Acta Crystallographica Section C 55(10) (1999) IUC9900123

301,791

2025-08-18

23:15:33

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2,009,065

8.0494

0.0007

9.2472

0.0004

20.1232

0.0016

90

null

94.709

0.003

90

null

1,492.8

0.19

150

0.1

150

0.1

null

5

P 1 21/a 1

-P 2yab

14

5-Methyl-3-(1-oxo-decyl)-1,3,4-thiadiazole-2(3H)-2-thione

- C13 H22 N2 O S2 -

- C52 H88 N8 O4 S8 -

4

1

QA0175

Low, John Nicolson; Cook, Andrew; Imrie, Corrie T.; Wardell, James L.

5-Methyl-3-nonanoyl-1,3,4-thiadiazole-2(3H)-thione and 3-decanoyl-5-methyl-1,3,4-thiadiazole-2(3H)-thione

Acta Crystallographica Section C

1,999

55

10

IUC9900123

10.1107/S0108270199098716

0.71073

MoKα

0.1175

0.0572

null

0.1058

null

1.034

null

has coordinates,has Fobs

Low, John Nicolson; Cook, Andrew; Imrie, Corrie T.; Wardell, James L. 5-Methyl-3-nonanoyl-1,3,4-thiadiazole-2(3H)-thione and 3-decanoyl-5-methyl-1,3,4-thiadiazole-2(3H)-thione Acta Crystallographica Section C 55(10) (1999) IUC9900123

301,791

2025-08-18

23:15:33

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4,321,885

10.5866

0.0006

18.3842

0.001

15.568

0.0008

90

null

94.34

0.001

90

null

3,021.3

0.3

173

2

173

2

null

7

P 1 21/n 1

-P 2yn

14

- C64 H62 Cl4 N2 O2 P4 Pt2 -

- C128 H124 Cl8 N4 O4 P8 Pt4 -

2

0.5

Jian Jun Li; Wei Li; Alan J. James; Todd Holbert; Tristan P. Sharp; Paul R. Sharp

Phosphine-Based Dinuclear Platinum(II) Diamido, Amido-Hydroxo, Oxo-Amido, Oxo-Imido, Diimido, and Dihydrazido Complexes1

Inorganic Chemistry

1,999

38

1563

1572

10.1021/ic981246w

0.7107

MoKα

0.0268

0.0211

null

0.0485

0.0506

null

1.031

null

has coordinates

Jian Jun Li; Wei Li; Alan J. James; Todd Holbert; Tristan P. Sharp; Paul R. Sharp Phosphine-Based Dinuclear Platinum(II) Diamido, Amido-Hydroxo, Oxo-Amido, Oxo-Imido, Diimido, and Dihydrazido Complexes1 Inorganic Chemistry 38 (1999) 1563-1572

301,838

2025-08-20

22:17:36

#------------------------------------------------------------------------------ #$Date: 2025-08-21 01:01:10 +0300 (Thu, 21 Aug 2025) $ #$Revision: 301838 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/18/4321885.cif $ #-------------------------------------------------------------------...

2,009,066

6.0365

0.0002

17.3779

0.0005

22.679

0.0008

90

null

90

null

90

null

2,379.07

0.13

150

2

150

0.1

null

4

P 21 21 21

P 2ac 2ab

19

4,5-Bis[(ferrocenylmethyl)thio]-1,3-dithiole-2-thione

- C25 H22 Fe2 S5 -

- C100 H88 Fe8 S20 -

4

1

QA0176

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

4,5-Bis(ferrocenylmethylthio)-1,3-dithiole-2-thione

Acta Crystallographica Section C

1,999

55

10

IUC9900124

10.1107/S0108270199098728

0.71073

MoKα

0.063

0.044

null

0.115

null

1.17

null

has coordinates

Low, John Nicolson; Chohan, Zahid H.; Howie, R. Alan; Wardell, James L. 4,5-Bis(ferrocenylmethylthio)-1,3-dithiole-2-thione Acta Crystallographica Section C 55(10) (1999) IUC9900124

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/2/00/90/2009066.cif $ #-------------------------------------------------------------------...

2,009,067

9.0696

0.0015

16.809

0.002

9.2603

0.0011

90

null

114.804

0.012

90

null

1,281.5

0.3

134

2

134

2

null

5

P 1 21 1

P 2yb

4

(+)-(2S,3S,4S,5S)-N-(tert-butoxycarbonyl)-3-[3,5-bis-(trifluoromethyl)- phenylmethoxy]-4,5-dimethyl-2-phenyl-pyrrolidine

- C26 H29 F6 N O3 -

- C52 H58 F12 N2 O6 -

2

1

QA0178

Bats, Jan W.; Heinrich, Timo; Reggelin, Michael

(+)-(2S,3S,4S,5S)-3-[3,5-Bis(trifluoromethyl)benzyloxy]-N-(tert-butoxycarbonyl)-4,5-dimethyl-2-phenylpyrrolidine, (I), and (+)-(2S,3S,4S,5S)-3-[3,5-bis(trifluoromethyl)benzyloxy]-4,5-dimethyl-2-phenylpyrrolidinium p-toluenesulfonate, (II), at ...

Acta Crystallographica Section C

1,999

55

10

IUC9900121

10.1107/S0108270199098613

0.71073

MoKα

0.049

0.047

null

0.13

null

1.675

null

has coordinates

Bats, Jan W.; Heinrich, Timo; Reggelin, Michael (+)-(2S,3S,4S,5S)-3-[3,5-Bis(trifluoromethyl)benzyloxy]-N-(tert-butoxycarbonyl)-4,5-dimethyl-2-phenylpyrrolidine, (I), and (+)-(2S,3S,4S,5S)-3-[3,5-bis(trifluoromethyl)benzyloxy]-4,5-dimethyl-2-phenylpy...

301,791

2025-08-18

23:15:33

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2,009,068

9.8727

0.0018

8.8917

0.0011

16.527

0.002

90

null

102.162

0.012

90

null

1,418.3

0.4

134

2

134

2

null

6

P 1 21 1

P 2yb

4

(+)-(2S,3S,4S,5S)-3-[3,5-bis-(trifluoromethyl)-phenylmethoxy]-4,5-dimethyl-2- phenyl-pyrrolidinyl p-toluenesulfonate

- C28 H29 F6 N O4 S -

- C56 H58 F12 N2 O8 S2 -

2

1

QA0178

Bats, Jan W.; Heinrich, Timo; Reggelin, Michael

(+)-(2S,3S,4S,5S)-3-[3,5-Bis(trifluoromethyl)benzyloxy]-N-(tert-butoxycarbonyl)-4,5-dimethyl-2-phenylpyrrolidine, (I), and (+)-(2S,3S,4S,5S)-3-[3,5-bis(trifluoromethyl)benzyloxy]-4,5-dimethyl-2-phenylpyrrolidinium p-toluenesulfonate, (II), at ...

Acta Crystallographica Section C

1,999

55

10

IUC9900121

10.1107/S0108270199098613

0.71073

MoKα

0.061

0.047

null

0.113

null

1.294

null

has coordinates

Bats, Jan W.; Heinrich, Timo; Reggelin, Michael (+)-(2S,3S,4S,5S)-3-[3,5-Bis(trifluoromethyl)benzyloxy]-N-(tert-butoxycarbonyl)-4,5-dimethyl-2-phenylpyrrolidine, (I), and (+)-(2S,3S,4S,5S)-3-[3,5-bis(trifluoromethyl)benzyloxy]-4,5-dimethyl-2-phenylpy...

301,791

2025-08-18

23:15:33

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2,009,069

6.349

0.001

6.936

0.001

9.282

0.002

95.62

0.03

104.58

0.03

113.44

0.03

353.8

0.17

293

2

293

2

null

5

P -1

-P 1

2

- C12 H16 Fe N2 O8 -

1

0.5

QA0179

Liu, Qun; Wei, Yongge; Wang, Wei; Zhang, Shiwei

Tetraaquabis(4-pyridinecarboxylato-N)iron(II)

Acta Crystallographica Section C

1,999

55

10

IUC9900127

10.1107/S0108270199098741

0.71073

MoKα

0.037

0.031

null

0.08

null

1.071

null

has coordinates

Liu, Qun; Wei, Yongge; Wang, Wei; Zhang, Shiwei Tetraaquabis(4-pyridinecarboxylato-N)iron(II) Acta Crystallographica Section C 55(10) (1999) IUC9900127

301,791

2025-08-18

23:15:33

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2,009,070

9.9921

0.0001

13.2646

0.0002

12.1386

0.0002

90

null

90.47

0.001

90

null

1,608.81

0.04

293

2

293

2

null

5

P 1 21/n 1

-P 2yn

14

Methyl (SR)-8,10-dichloro-1,2,3,4,5,6-hexahydro-6-hydroxy-1-methyl- 1,9-phenanthroline-6-carboxylate

- C15 H16 Cl2 N2 O3 -

- C60 H64 Cl8 N8 O12 -

4

1

QA0180

Sarkar, Tarun Kumar; Basak, Sankar; Ghosh, Sunil Kumar; Nigam, Gur Dayal; Razak, Ibrahim Abdul; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun

Methyl (SR)-8,10-dichloro-1,2,3,4,5,6-hexahydro-6-hydroxy-1-methyl-1,9-phenanthroline-6-carboxylate

Acta Crystallographica Section C

1,999

55

10

IUC9900128

10.1107/S0108270199098650

0.71073

MoKα

0.05

0.041

null

0.121

null

1.05

null

has coordinates

Sarkar, Tarun Kumar; Basak, Sankar; Ghosh, Sunil Kumar; Nigam, Gur Dayal; Razak, Ibrahim Abdul; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun Methyl (SR)-8,10-dichloro-1,2,3,4,5,6-hexahydro-6-hydroxy-1-methyl-1,9-phenanthroline-6-carboxylate Acta Crystallographica Section C 55(10) (1999) IUC9900128

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/2/00/90/2009070.cif $ #-------------------------------------------------------------------...

4,321,884

17.9318

0.0015

12.8195

0.0011

22.2897

0.0013

90

null

101.837

0.006

90

null

5,014.9

0.7

296

null

296

null

6

P 1 21/c 1

-P 2ybc

14

- C63 H53 N O P3 Re -

- C252 H212 N4 O4 P12 Re4 -

4

1

Talia M. McKinney; Phillip E. Fanwick; Richard A. Walton

Reactions of the Eight-Coordinate Rhenium Complex ReH4(hq)(PPh3)2 (hq = 2-Hydroxyquinoline Monoanion) with Monodentate Tertiary Phosphines: Formation of Pentagonal Bipyramidal Dihydridorhenium(III) Complexes of the Type ReH2(hq)(PPh3)2(PR3)

Inorganic Chemistry

1,999

38

1548

1554

10.1021/ic981155z

1.54184

Cu-Kα

null

0.029

null

0.039

null

1.034

null

has coordinates

Talia M. McKinney; Phillip E. Fanwick; Richard A. Walton Reactions of the Eight-Coordinate Rhenium Complex ReH4(hq)(PPh3)2 (hq = 2-Hydroxyquinoline Monoanion) with Monodentate Tertiary Phosphines: Formation of Pentagonal Bipyramidal Dihydridorhenium(III) Complexes of the Type ReH2(hq)(PPh3)2(PR3) Inorganic Chemistry 38...

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/4/32/18/4321884.cif $ #-------------------------------------------------------------------...

2,009,071

14.7482

0.0008

8.2538

0.0006

26.6697

0.0013

90

null

100.42

0.003

90

null

3,192.9

0.3

106

2

106

2

null

6

C 1 2/c 1

-C 2yc

15

cis,trans-Bis(acetonitrile)(2,2'-bipyridine-N,N')dichlororuthenium(II) hemihydrate

- C14 H15 Cl2 N4 O0.5 Ru -

- C112 H120 Cl16 N32 O4 Ru8 -

8

1

QB0111

Huh, Seong; Park, Seongsoon; Lough, Alan. J.

cis,trans-Bis(acetonitrile-N)(2,2'-bipyridine-N,N')dichlororuthenium(II) hemihydrate

Acta Crystallographica Section C

1,999

55

10

IUC9900125

10.1107/S0108270199098753

0.71073

MoKα

0.082

0.041

null

0.077

null

0.908

null

has coordinates

Huh, Seong; Park, Seongsoon; Lough, Alan. J. cis,trans-Bis(acetonitrile-N)(2,2'-bipyridine-N,N')dichlororuthenium(II) hemihydrate Acta Crystallographica Section C 55(10) (1999) IUC9900125

176,759

2020-10-21

18:00:00

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2,009,072

15.001

0.009

7.385

0.003

15.078

0.013

90

null

95.45

0.06

90

null

1,662.8

1.9

293

2

293

2

null

4

P 1 21/n 1

-P 2yn

14

N-[3-(3-Indenyl)propyl]-benzylammonium bromide

- C19 H22 Br N -

- C76 H88 Br4 N4 -

4

1

QB0113

Groux, Laurent F.; Bélanger-Gariépy, Francine; Zargarian, Davit

Benzyl[3-(3-indenyl)propyl]ammonium bromide

Acta Crystallographica Section C

1,999

55

10

IUC9900130

10.1107/S0108270199098637

1.54056

CuKα

0.041

0.031

null

0.077

null

0.074

null

0.94

null

1.023

null

has coordinates

Groux, Laurent F.; Bélanger-Gariépy, Francine; Zargarian, Davit Benzyl[3-(3-indenyl)propyl]ammonium bromide Acta Crystallographica Section C 55(10) (1999) IUC9900130

301,791

2025-08-18

23:15:33

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2,009,073

9.0165

0.0004

11.3057

0.0003

13.4155

0.0006

90

null

90

null

90

null

1,367.55

0.09

150

2

150

1

null

5

P 21 21 21

P 2ac 2ab

19

N-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl) methionine

- C10 H15 N5 O4 S -

- C40 H60 N20 O16 S4 -

4

1

SK1287

Low, John N.; Godino, M. L.; López, Rafael; Pérez, Agustin; Melguizo, Manuel; Cobo, Justo

N-(6-Amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)methionine

Acta Crystallographica Section C

1,999

55

10

1727

1730

10.1107/S0108270199008495

0.71073

MoKα

0.061

0.047

null

0.128

null

1.208

null

has coordinates

Low, John N.; Godino, M. L.; López, Rafael; Pérez, Agustin; Melguizo, Manuel; Cobo, Justo N-(6-Amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)methionine Acta Crystallographica Section C 55(10) (1999) 1727-1730

201,955

2020-10-21

18:00:00

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2,009,074

10.1911

0.0011

11.3039

0.0013

11.0983

0.0011

90

null

115.83

0.002

90

null

1,150.8

0.2

295

null

5

P 1 21/a 1

-P 2yab

14

- C11 H12 Cl N O2 -

- C44 H48 Cl4 N4 O8 -

4

1

SK1291

Arici, Cengiz; Tahir, M. Nawaz; Ülkü, Dinçer; Atakol, Orhan

4-Chloro-2-(4-oxopent-2-en-2-ylamino)phenol

Acta Crystallographica Section C

1,999

55

10

1691

1692

10.1107/S0108270199008501

0.71073

MoKα

null

0.036

null

0.045

null

0.96

null

has coordinates

Arici, Cengiz; Tahir, M. Nawaz; Ülkü, Dinçer; Atakol, Orhan 4-Chloro-2-(4-oxopent-2-en-2-ylamino)phenol Acta Crystallographica Section C 55(10) (1999) 1691-1692

301,791

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23:15:33

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2,009,075

9.0652

0.001

11.5566

0.0011

16.2857

0.0016

90

null

100.558

0.008

90

null

1,677.3

0.3

295

null

6

P 1 21/c 1

-P 2ybc

14

- C34 H32 Cu2 N6 O10 Zn -

- C68 H64 Cu4 N12 O20 Zn2 -

2

0.5

SK1295

Ülkü, Dinçer; Tatar, Leyla; Atakol, Orhan; Durmus̨, Sefa

Bis{(μ-nitrato)[μ-bis(salicylidene)-1,3-propanediaminato]copper(II)}zinc(II)

Acta Crystallographica Section C

1,999

55

10

1652

1654

10.1107/S0108270199008513

0.71073

MoKα

null

0.036

null

0.04

null

1.01

null

has coordinates

Ülkü, Dinçer; Tatar, Leyla; Atakol, Orhan; Durmus̨, Sefa Bis{(μ-nitrato)[μ-bis(salicylidene)-1,3-propanediaminato]copper(II)}zinc(II) Acta Crystallographica Section C 55(10) (1999) 1652-1654

301,791

2025-08-18

23:15:33

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4,321,883

12.24

0.002

12.411

0.003

15.196

0.003

93.196

0.016

93.898

0.015

96.215

0.016

2,284.9

0.8

296

null

296

null

6

P -1

-P 1

2

- C52 H55 N O2 P3 Re -

- C53 H47 N O P3 Re -

- C106 H94 N2 O2 P6 Re2 -

2

1

Talia M. McKinney; Phillip E. Fanwick; Richard A. Walton

Reactions of the Eight-Coordinate Rhenium Complex ReH4(hq)(PPh3)2 (hq = 2-Hydroxyquinoline Monoanion) with Monodentate Tertiary Phosphines: Formation of Pentagonal Bipyramidal Dihydridorhenium(III) Complexes of the Type ReH2(hq)(PPh3)2(PR3)

Inorganic Chemistry

1,999

38

1548

1554

10.1021/ic981155z

1.54184

Cu-Kα

0.065

0.038

null

0.049

null

1.372

null

has coordinates

Talia M. McKinney; Phillip E. Fanwick; Richard A. Walton Reactions of the Eight-Coordinate Rhenium Complex ReH4(hq)(PPh3)2 (hq = 2-Hydroxyquinoline Monoanion) with Monodentate Tertiary Phosphines: Formation of Pentagonal Bipyramidal Dihydridorhenium(III) Complexes of the Type ReH2(hq)(PPh3)2(PR3) Inorganic Chemistry 38...

176,467

2020-10-21

18:00:00

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2,009,076

7.5447

0.0005

12.0046

0.0007

13.7852

0.0008

74.077

0.001

75.359

0.001

72.462

0.001

1,124.96

0.12

293

2

293

2

null

5

P -1

-P 1

2

bis(2-phenyldiazenyl-1H-imidazole-N)silver(I) nitrate methanol solvate

- C19 H20 Ag N9 O4 -

- C38 H40 Ag2 N18 O8 -

2

1

SK1302

S. Shanmuga Sundara Raj; Hoong-Kun Fun; Xiao-Feng Chen; Xu-Hui Zhu; Xiao-Zeng You

Bis[2-(phenylazo)imidazole-N]silver(I) nitrate methanol solvate

Acta Crystallographica Section C

1,999

55

10

1644

1646

10.1107/S0108270199008525

0.71073

MoKα

0.094

0.057

null

0.16

null

1.013

null

has coordinates

S. Shanmuga Sundara Raj; Hoong-Kun Fun; Xiao-Feng Chen; Xu-Hui Zhu; Xiao-Zeng You Bis[2-(phenylazo)imidazole-N]silver(I) nitrate methanol solvate Acta Crystallographica Section C 55(10) (1999) 1644-1646

301,791

2025-08-18

23:15:33

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2,009,077

14.0268

0.0001

15.0988

0.0002

13.3565

0.0002

90

null

111.16

0.01

90

null

2,638.02

0.19

293

2

293

2

null

7

P 1 21/c 1

-P 2ybc

14

Diiodobis(4-methoxybenzaldehyde thiosemicarbazone)cadmium(II)

- C18 H22 Cd I2 N6 O2 S2 -

- C72 H88 Cd4 I8 N24 O8 S8 -

4

1

SK1305

Yu-Peng Tian; Wen-Tao Yu; Min-Hua Jiang; S. Shanmuga Sundara Raj; Ping Yang; Hoong-Kun Fun

Diiodobis(4-methoxybenzaldehyde thiosemicarbazone-S)cadmium(II)

Acta Crystallographica Section C

1,999

55

10

1639

1641

10.1107/S0108270199008537

0.71073

MoKα

0.042

0.037

null

0.09

null

1.149

null

has coordinates

Yu-Peng Tian; Wen-Tao Yu; Min-Hua Jiang; S. Shanmuga Sundara Raj; Ping Yang; Hoong-Kun Fun Diiodobis(4-methoxybenzaldehyde thiosemicarbazone-S)cadmium(II) Acta Crystallographica Section C 55(10) (1999) 1639-1641

176,759

2020-10-21

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2,009,078

9.0605

0.0002

17.8725

0.0001

31.4066

0.0006

90

null

90

null

90

null

5,085.79

0.15

293

2

293

2

null

4

P b c a

-P 2ac 2ab

61

Spiro[1-acetyl-2-oxo-(3H)indole-3,2'-oxeto[3,2-b](10'-diphenylmethylene- 3',4',9',10'-(3'α,4'α,9'α,10'α)-tetrahedron-4',9'-methanonaphthalene

- C34 H25 N O3 -

- C272 H200 N8 O24 -

8

1

SK1309

S.Shanmuga Sundara Raj; Hoong-Kun Fun; Jie, Xue; Jia-Hai, Ye; Hu, Cai; Jian-Hua, Xu

1-Acetyl-2a',3',8',8a'-tetrahydro-3',8'-(diphenylmethylenemethano)spiro[indoline-3,2'-2'H-oxeto[3,2-b]naphthalen]-2-one

Acta Crystallographica Section C

1,999

55

10

1674

1675

10.1107/S0108270199008744

0.71073

MoKα

0.1306

0.067

null

0.1581

null

1.083

null

has coordinates

S.Shanmuga Sundara Raj; Hoong-Kun Fun; Jie, Xue; Jia-Hai, Ye; Hu, Cai; Jian-Hua, Xu 1-Acetyl-2a',3',8',8a'-tetrahydro-3',8'-(diphenylmethylenemethano)spiro[indoline-3,2'-2'H-oxeto[3,2-b]naphthalen]-2-one Acta Crystallographica Section C 55(10) (1999) 1674-1675

301,791

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23:15:33

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2,009,079

6.3799

0.0001

14.9302

0.0002

16.108

0.0002

90

null

91.636

0.001

90

null

1,533.71

0.04

293

2

293

2

null

4

P 1 21/c 1

-P 2ybc

14

3-(2-hydroxyphenyl)-1-(2,4-dinitrophenyl)-1H-pyrazole-4-carboxaldehyde

- C16 H10 N4 O6 -

- C64 H40 N16 O24 -

4

1

SK1310

Shanmuga Sundara Raj, S.; Jeyakanthan, J.; Selvi, S.; Velmurugan, D.; Fun, H.-K; Perumal, P. T

1-(2,4-Dinitrophenyl)-3-(2-hydroxyphenyl)-1H-pyrazole-4-carbaldehyde

Acta Crystallographica Section C

1,999

55

10

1667

1669

10.1107/S0108270199008690

0.71073

MoKα

0.0796

0.0553

null

0.155

null

1.027

null

has coordinates

Shanmuga Sundara Raj, S.; Jeyakanthan, J.; Selvi, S.; Velmurugan, D.; Fun, H.-K; Perumal, P. T 1-(2,4-Dinitrophenyl)-3-(2-hydroxyphenyl)-1H-pyrazole-4-carbaldehyde Acta Crystallographica Section C 55(10) (1999) 1667-1669

301,791

2025-08-18

23:15:33

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2,009,080

7.994

0.006

8.371

0.007

25.14

0.02

90

null

90

null

90

null

1,682

2

293

null

293

null

4

P 21 21 21

P 2ac 2ab

19

- C17 H18 Cl3 N -

- C68 H72 Cl12 N4 -

4

1

SX1083

Caruso, Francesco; Besmer, Angela; Rossi, Miriam

The absolute configuration of sertraline (Zoloft) hydrochloride

Acta Crystallographica Section C

1,999

55

10

1712

1714

10.1107/S0108270199008343

0.71073

MoKα

null

0.058

null

0.049

null

1.391

null

has coordinates

Caruso, Francesco; Besmer, Angela; Rossi, Miriam The absolute configuration of sertraline (Zoloft) hydrochloride Acta Crystallographica Section C 55(10) (1999) 1712-1714

301,791

2025-08-18

23:15:33

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4,321,882

45.685

0.004

12.211

0.0012

36.4

0.006

90

null

114.915

0.013

90

null

18,416

4

156

null

156

null

6

C 1 2/c 1

-C 2yc

15

- C57 H49 N O P3 Re -

- C912 H784 N16 O16 P48 Re16 -

16

2

Talia M. McKinney; Phillip E. Fanwick; Richard A. Walton

Reactions of the Eight-Coordinate Rhenium Complex ReH4(hq)(PPh3)2 (hq = 2-Hydroxyquinoline Monoanion) with Monodentate Tertiary Phosphines: Formation of Pentagonal Bipyramidal Dihydridorhenium(III) Complexes of the Type ReH2(hq)(PPh3)2(PR3)

Inorganic Chemistry

1,999

38

1548

1554

10.1021/ic981155z

0.71073

MO-Kα

null

0.061

null

0.224

null

1.013

null

has coordinates

Talia M. McKinney; Phillip E. Fanwick; Richard A. Walton Reactions of the Eight-Coordinate Rhenium Complex ReH4(hq)(PPh3)2 (hq = 2-Hydroxyquinoline Monoanion) with Monodentate Tertiary Phosphines: Formation of Pentagonal Bipyramidal Dihydridorhenium(III) Complexes of the Type ReH2(hq)(PPh3)2(PR3) Inorganic Chemistry 38...

176,467

2020-10-21

18:00:00

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2,009,081

12.67

0.002

7.368

0.001

29.704

0.005

90

null

96.92

0.01

90

null

2,752.7

0.7

130

0.1

130

1

null

5

C 1 2/c 1

-C 2yc

15

2-trimethylgermylethyl p-nitrobenzoate

- C12 H17 Ge N O4 -

- C96 H136 Ge8 N8 O32 -

8

1

TA1258

White, Jonathan M.

Trimethylgermylethyl p-nitrobenzoate

Acta Crystallographica Section C

1,999

55

10

1660

1662

10.1107/S0108270199007258

1.5418

CuKα

0.032

0.03

null

0.085

0.081

null

0.977

0.992

null

has coordinates,has Fobs

White, Jonathan M. Trimethylgermylethyl p-nitrobenzoate Acta Crystallographica Section C 55(10) (1999) 1660-1662

301,791

2025-08-18

23:15:33

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2,009,082

6.625

0.001

11.476

0.001

7.127

0.001

90

null

105.03

0.01

90

null

523.32

0.12

293

2

293

2

null

3

P 1 21 1

P 2yb

4

(+)-cis-Pinonic Acid

(1S,3S)-(+)-cis-3-acetyl-2,2-dimethylcyclobutaneacetic acid

- C10 H16 O3 -

- C20 H32 O6 -

2

1

BK1455

Lalancette, Roger A.; Thompson, Hugh W.; Brunskill, Andrew P. J.

(+)-cis-Pinonic acid: catemeric hydrogen bonding in a non-racemic ε-keto acid

Acta Crystallographica Section C

1,999

55

11

1908

1911

10.1107/S0108270199009555

0.71073

MoKα

0.041

0.035

null

0.089

null

1.06

null

has coordinates

Lalancette, Roger A.; Thompson, Hugh W.; Brunskill, Andrew P. J. (+)-cis-Pinonic acid: catemeric hydrogen bonding in a non-racemic ε-keto acid Acta Crystallographica Section C 55(11) (1999) 1908-1911

176,759

2020-10-21

18:00:00

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2,009,083

25.869

0.008

12.494

0.004

6.198

0.002

90

null

90

null

90

null

2,003.2

1.1

293

2

null

3

P 21 21 21

P 2ac 2ab

19

(6'R)–6'–Methyl–2',5'–dioxo–(17R)spiro[11β–hydroxy-androst–4–en– 3–one–17,3'–[1,4]–dioxane]

- C23 H30 O6 -

- C92 H120 O24 -

4

1

BK1456

Asiloé J. Mora; Belkis M. Ramírez; Gerzon Delgado; Roy Little

The 17-spiro lactide of cortienic acid: a probe for studying the active sites of steroidal receptors

Acta Crystallographica Section C

1,999

55

11

1870

1873

10.1107/S0108270199008008

0.71069

MoKα

0.0674

0.048

null

0.1542

null

1.151

null

has coordinates

Asiloé J. Mora; Belkis M. Ramírez; Gerzon Delgado; Roy Little The 17-spiro lactide of cortienic acid: a probe for studying the active sites of steroidal receptors Acta Crystallographica Section C 55(11) (1999) 1870-1873

301,791

2025-08-18

23:15:33

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2,009,084

9.438

0.002

12.6375

0.0018

9.7641

0.0013

90

null

110.953

0.014

90

null

1,087.6

0.3

293

2

293

2

null

5

P 1 21/c 1

-P 2ybc

14

diacetate-μ-[N,N'-bis[2-(2-aminoethylpyridine]oxamide]dicopper(II)

- C20 H22 Cu2 N4 O6 -

- C40 H44 Cu4 N8 O12 -

2

0.5

BK1463

Francisco, Regina H. P.; Gambardella, M. Teresa do P.; Rodrigues, Ana M. G. D.; de Paula, M.; de Sousa, Gerimário F.

[μ-N,N'-Bis(2-pyridylethyl)oxamide]bis[acetatocopper(II)]

Acta Crystallographica Section C

1,999

55

11

1791

1793

10.1107/S0108270199009476

0.71073

MoKα

0.126

0.056

null

0.184

null

1.23

null

has coordinates

Francisco, Regina H. P.; Gambardella, M. Teresa do P.; Rodrigues, Ana M. G. D.; de Paula, M.; de Sousa, Gerimário F. [μ-N,N'-Bis(2-pyridylethyl)oxamide]bis[acetatocopper(II)] Acta Crystallographica Section C 55(11) (1999) 1791-1793

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/2/00/90/2009084.cif $ #-------------------------------------------------------------------...

2,009,085

11.325

0.002

16.996

0.002

17.193

0.002

90

null

99.78

0.01

90

null

3,261.2

0.8

290

2

290

2

null

5

C 1 c 1

C -2yc

9

N-methyl-3',4'-dimethoxy-4-stilbazolium tetraphenylborate

4-[2-(3,4-Dimethoxyphenyl)ethenyl]-1-methylpyridinium tetraphenylborate

- C40 H38 B N O2 -

- C160 H152 B4 N4 O8 -

4

1

BK1469

De-Chun Zhang; Li-Qin Ge; Tian-Zhu Zhang; Yan-Qiu Zhang; Kai-Bei Yu

4-[2-(3,4-Dimethoxyphenyl)ethenyl]-1-methylpyridinium tetraphenylborate

Acta Crystallographica Section C

1,999

55

11

1938

1939

10.1107/S0108270199009579

0.71073

MoKα

0.074

0.034

null

0.072

null

0.063

null

0.82

null

has coordinates,has Fobs

De-Chun Zhang; Li-Qin Ge; Tian-Zhu Zhang; Yan-Qiu Zhang; Kai-Bei Yu 4-[2-(3,4-Dimethoxyphenyl)ethenyl]-1-methylpyridinium tetraphenylborate Acta Crystallographica Section C 55(11) (1999) 1938-1939

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/2/00/90/2009085.cif $ #-------------------------------------------------------------------...

4,321,881

17.413

0.0004

12.1794

0.0003

15.3721

0.0004

90

null

120.384

0.001

90

null

2,812.35

0.12

173

2

173

2

null

5

C 1 2/c 1

-C 2yc

15

- Co2 H50 N12 O19 U3 -

- Co8 H200 N48 O76 U12 -

4

0.5

David L. Clark; Steven D. Conradson; Robert J. Donohoe; D. Webster Keogh; David E. Morris; Phillip D. Palmer; Robin D. Rogers; C. Drew Tait

Chemical Speciation of the Uranyl Ion under Highly Alkaline Conditions. Synthesis, Structures, and Oxo Ligand Exchange Dynamics

Inorganic Chemistry

1,999

38

1456

1466

10.1021/ic981137h

0.71073

MoKα

0.0377

0.0313

null

0.0808

0.0734

null

1.05

1.099

null

has coordinates

David L. Clark; Steven D. Conradson; Robert J. Donohoe; D. Webster Keogh; David E. Morris; Phillip D. Palmer; Robin D. Rogers; C. Drew Tait Chemical Speciation of the Uranyl Ion under Highly Alkaline Conditions. Synthesis, Structures, and Oxo Ligand Exchange Dynamics Inorganic Chemistry 38 (1999) 1456-1466

301,838

2025-08-20

22:17:36

#------------------------------------------------------------------------------ #$Date: 2025-08-21 01:01:10 +0300 (Thu, 21 Aug 2025) $ #$Revision: 301838 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/18/4321881.cif $ #-------------------------------------------------------------------...

2,009,086

12.377

0.003

6.974

0.0014

19.822

0.004

90

null

102.82

0.03

90

null

1,668.3

0.7

293

2

293

2

null

6

P 1 c 1

P -2yc

7

Triaqua-(2,2'-bipyridyl-N,N')-(thiosulfato-S)-nickel(II) dihydrate

- C10 H18 N2 Ni O8 S2 -

- C40 H72 N8 Ni4 O32 S8 -

4

2

BK1471

Eleonora Freire; Sergio Baggio; Ricardo Baggio; Leopoldo Suescun

Triaqua(2,2'-bipyridyl-N,N')(thiosulfato-S)nickel(II) dihydrate and triaqua(1,10-phenanthroline-N,N')(thiosulfato-S)nickel(II) monohydrate

Acta Crystallographica Section C

1,999

55

11

1780

1784

10.1107/S010827019900829X

0.71073

MoKα

0.042

0.036

null

0.099

null

1.08

null

has coordinates

Eleonora Freire; Sergio Baggio; Ricardo Baggio; Leopoldo Suescun Triaqua(2,2'-bipyridyl-N,N')(thiosulfato-S)nickel(II) dihydrate and triaqua(1,10-phenanthroline-N,N')(thiosulfato-S)nickel(II) monohydrate Acta Crystallographica Section C 55(11) (1999) 1780-1784

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/2/00/90/2009086.cif $ #-------------------------------------------------------------------...

2,009,087

8.434

0.002

8.782

0.002

11.344

0.002

90.47

0.03

91.27

0.03

104.23

0.03

814.2

0.3

293

2

293

2

null

6

P -1

-P 1

2

Triaqua-(2,10-phenanthroline-N,N')-(thiosulfato-S)-nickel(II) monohydrate.

- C12 H16 N2 Ni O7 S2 -

- C24 H32 N4 Ni2 O14 S4 -

2

1

BK1471

Eleonora Freire; Sergio Baggio; Ricardo Baggio; Leopoldo Suescun

Triaqua(2,2'-bipyridyl-N,N')(thiosulfato-S)nickel(II) dihydrate and triaqua(1,10-phenanthroline-N,N')(thiosulfato-S)nickel(II) monohydrate

Acta Crystallographica Section C

1,999

55

11

1780

1784

10.1107/S010827019900829X

0.71073

MoKα

0.026

0.025

null

0.071

null

1.09

null

has coordinates

Eleonora Freire; Sergio Baggio; Ricardo Baggio; Leopoldo Suescun Triaqua(2,2'-bipyridyl-N,N')(thiosulfato-S)nickel(II) dihydrate and triaqua(1,10-phenanthroline-N,N')(thiosulfato-S)nickel(II) monohydrate Acta Crystallographica Section C 55(11) (1999) 1780-1784

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/2/00/90/2009087.cif $ #-------------------------------------------------------------------...

2,009,088

15.194

0.003

11.059

0.002

16.262

0.003

90

null

102.19

0.03

90

null

2,670.9

0.9

293

2

293

2

null

8

P 1 21/n 1

-P 2yn

14

- C14 H24 Co F6 N4 O6 P3 S2 -

- C56 H96 Co4 F24 N16 O24 P12 S8 -

4

1

BK1474

Ye-Xiang Tong; Cheng-Yong Su; Bei-Sheng Kang; Xiao-Lan Yu; Xiao-Ming Chen

Bis(pyrimidine-2-thiolato-N,S)bis(trimethyl phosphite-P)cobalt(III) hexafluorophosphate

Acta Crystallographica Section C

1,999

55

11

1800

1802

10.1107/S0108270199009488

0.71073

MoKα

0.125

0.067

null

0.164

null

1.079

null

has coordinates,has disorder

Ye-Xiang Tong; Cheng-Yong Su; Bei-Sheng Kang; Xiao-Lan Yu; Xiao-Ming Chen Bis(pyrimidine-2-thiolato-N,S)bis(trimethyl phosphite-P)cobalt(III) hexafluorophosphate Acta Crystallographica Section C 55(11) (1999) 1800-1802

189,124

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-12-14 14:05:40 +0200 (Wed, 14 Dec 2016) $ #$Revision: 189124 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/90/2009088.cif $ #-------------------------------------------------------------------...

4,321,880

11.7188

0.0002

15.7525

0.0003

12.8528

0.0001

90

null

93.064

0.001

90

null

2,369.24

0.06

298

null

?

6

P 1 21/n 1

-P 2yn

14

- C22 H24 Cd N6 O5 S -

- C44 H48 Cd2 N12 O10 S2 -

- C88 H96 Cd4 N24 O20 S4 -

2

0.5

Zhiyong Wang; Ren-Gen Xiong; Bruce M. Foxman; Scott R. Wilson; Wenbin Lin

Two- and Three-Dimensional Cadmium Coordination Polymers Based on N,N-(2-Pyridyl)-(4-pyridylmethyl)amine

Inorganic Chemistry

1,999

38

1523

1528

10.1021/ic981123b

0.71073

MoKα

null

0.0417

null

0.0469

null

0.3857

null

has coordinates

Zhiyong Wang; Ren-Gen Xiong; Bruce M. Foxman; Scott R. Wilson; Wenbin Lin Two- and Three-Dimensional Cadmium Coordination Polymers Based on N,N-(2-Pyridyl)-(4-pyridylmethyl)amine Inorganic Chemistry 38 (1999) 1523-1528

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/4/32/18/4321880.cif $ #-------------------------------------------------------------------...

2,009,089

13.32

0.002

16.118

0.002

13.609

0.002

90

null

94.76

0.01

90

null

2,911.7

0.7

293

2

293

2

null

7

P 1 21/n 1

-P 2yn

14

Chloro-bis(2-(2-hydroxyphenyl)benzothiazolato) oxorhenium (V). 1.5CH~2~Cl~2~

- C27.5 H19 Cl4 N2 O3 Re S2 -

- C27.5 H18 Cl4 N2 O3 Re S2 -

- C110 H72 Cl16 N8 O12 Re4 S8 -

4

1

BK1478

Panneerselvam, Kaliyamoorthy; Lu, Tian-Huey; Tung, Shu-Fang; Chattopadhyay, Pabitra; Lo, Jem-Mau; Chung, Chung-Sun

Bis[2-(1,3-benzothiazol-2-yl)phenolato-O,N]chlorooxorhenium(V)‒dichloromethane (1/1.5)

Acta Crystallographica Section C

1,999

55

11

1802

1804

10.1107/S0108270199010008

0.71073

MoKα

0.0843

0.0394

null

0.096

null

0.962

null

has coordinates

Panneerselvam, Kaliyamoorthy; Lu, Tian-Huey; Tung, Shu-Fang; Chattopadhyay, Pabitra; Lo, Jem-Mau; Chung, Chung-Sun Bis[2-(1,3-benzothiazol-2-yl)phenolato-O,N]chlorooxorhenium(V)‒dichloromethane (1/1.5) Acta Crystallographica Section C 55(11) (1999) 1802-1804

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/2/00/90/2009089.cif $ #-------------------------------------------------------------------...

2,009,090

7.25

0.003

9.938

0.005

11.169

0.006

72.88

0.04

82.74

0.04

83.4

0.04

760.3

0.7

293

2

293

2

null

5

P -1

-P 1

2

spiro-1',1'-(2-methylamino-tio-troponyl)-2',4',6'-trinitrocyclohexadiene.

- C14 H10 N4 O6 S -

- C28 H20 N8 O12 S2 -

2

1

BM1341

Borbulevych, Oleg Ya.; Shishkin, Oleg V.; Budarina, Zoya N.; Antipin, Michail Yu.; Olekhnovich, Lev P.

2,3-Dihydro-3-methyl-2',4',6'-trinitrospiro[1,3-thiazolotropylium-2,1'-cyclohexadienide]

Acta Crystallographica Section C

1,999

55

11

1915

1918

10.1107/S0108270199009646

0.71073

MoKα

0.1571

0.0721

null

0.2095

null

0.1626

null

0.93

null

1.158

null

has coordinates

Borbulevych, Oleg Ya.; Shishkin, Oleg V.; Budarina, Zoya N.; Antipin, Michail Yu.; Olekhnovich, Lev P. 2,3-Dihydro-3-methyl-2',4',6'-trinitrospiro[1,3-thiazolotropylium-2,1'-cyclohexadienide] Acta Crystallographica Section C 55(11) (1999) 1915-1918

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/2/00/90/2009090.cif $ #-------------------------------------------------------------------...

2,009,091

12.984

0.007

13.034

0.005

16.749

0.008

82.04

0.03

72.31

0.04

87.45

0.04

2,674

2

213

2

213

2

null

5

P -1

-P 1

2

- C62 H36 F6 N6 O14 -

- C31 H18 F3 N3 O7 -

- C124 H72 F12 N12 O28 -

4

2

BM1342

Kovalevsky, A. Yu.; Shishkin, O. V.; Ponomarev, I. I.

N,N'-(Pyridine-2,6-diyl)bis(naphthalenedicarboximide) trifluoroacetic acid monohydrate

Acta Crystallographica Section C

1,999

55

11

1914

1915

10.1107/S0108270199009385

0.71073

MoKα

0.1918

0.062

null

0.1796

null

0.1777

null

0.883

null

1.154

null

has coordinates

Kovalevsky, A. Yu.; Shishkin, O. V.; Ponomarev, I. I. N,N'-(Pyridine-2,6-diyl)bis(naphthalenedicarboximide) trifluoroacetic acid monohydrate Acta Crystallographica Section C 55(11) (1999) 1914-1915

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/2/00/90/2009091.cif $ #-------------------------------------------------------------------...

2,009,092

12.996

0.005

10.106

0.005

12.717

0.011

90

null

110.35

0.06

90

null

1,566

1.8

293

2

293

2

null

4

P 1 21/c 1

-P 2ybc

14

2-(3,5-Dinitropyridyl-2-oxy)-3,5,7-trimethylcyclohepta-2,4,6-trien-1-one

- C15 H13 N3 O6 -

- C60 H52 N12 O24 -

4

1

BM1347

Borbulevych, Oleg Ya.; Kurbatov, Sergey V.; Vaslyaeva, Galina S.; Antipin, Michail Yu.; Olekhnovich, Lev P.

2-(3,5-Dinitropyridyl-2-oxy)-3,5,7-trimethylcyclohepta-2,4,6-trien-1-one

Acta Crystallographica Section C

1,999

55

11

1920

1921

10.1107/S0108270199009166

0.71073

MoKα

0.08

0.057

null

0.161

null

0.131

null

1.08

null

1.14

null

has coordinates,has Fobs

Borbulevych, Oleg Ya.; Kurbatov, Sergey V.; Vaslyaeva, Galina S.; Antipin, Michail Yu.; Olekhnovich, Lev P. 2-(3,5-Dinitropyridyl-2-oxy)-3,5,7-trimethylcyclohepta-2,4,6-trien-1-one Acta Crystallographica Section C 55(11) (1999) 1920-1921

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/2/00/90/2009092.cif $ #-------------------------------------------------------------------...

4,321,879

8.6231

0.0005

17.288

0.001

16.1675

0.0007

90

null

94.73

0.002

90

null

2,402

0.2

298

null

?

5

C 1 2/c 1

-C 2yc

15

- C11 H11 Cd0.5 N4 O3 -

- C44 H44 Cd2 N16 O12 -

- C88 H88 Cd4 N32 O24 -

2

0.25

Zhiyong Wang; Ren-Gen Xiong; Bruce M. Foxman; Scott R. Wilson; Wenbin Lin

Two- and Three-Dimensional Cadmium Coordination Polymers Based on N,N-(2-Pyridyl)-(4-pyridylmethyl)amine

Inorganic Chemistry

1,999

38

1523

1528

10.1021/ic981123b

0.71073

MoKα

null

0.0498

null

0.0582

null

1.0161

null

has coordinates

Zhiyong Wang; Ren-Gen Xiong; Bruce M. Foxman; Scott R. Wilson; Wenbin Lin Two- and Three-Dimensional Cadmium Coordination Polymers Based on N,N-(2-Pyridyl)-(4-pyridylmethyl)amine Inorganic Chemistry 38 (1999) 1523-1528

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/4/32/18/4321879.cif $ #-------------------------------------------------------------------...

2,009,093

7.879

0.003

10.971

0.006

19.831

0.009

90

null

91.2

0.03

90

null

1,713.8

1.4

193

2

193

2

null

4

P 1 21/c 1

-P 2ybc

14

(4-triethylammoniomethyl-1,3-dioxolane)-2-spiro-1'-2',4',6'-trinitro- cyclohexadienide

- C15 H22 N4 O8 -

- C60 H88 N16 O32 -

4

1

BM1348

Borbulevych, Oleg Ya.; Shishkin, Oleg V.; Knyazev, Victor N.

4-Triethylammoniomethyl-1,3-dioxolane-2-spiro-1'-2',4',6'-trinitrocyclohexadienide

Acta Crystallographica Section C

1,999

55

11

1918

1920

10.1107/S0108270199009233

0.71073

MoKα

0.2099

0.0771

null

0.264

null

0.1722

null

0.876

null

1.177

null

has coordinates

Borbulevych, Oleg Ya.; Shishkin, Oleg V.; Knyazev, Victor N. 4-Triethylammoniomethyl-1,3-dioxolane-2-spiro-1'-2',4',6'-trinitrocyclohexadienide Acta Crystallographica Section C 55(11) (1999) 1918-1920

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/2/00/90/2009093.cif $ #-------------------------------------------------------------------...

2,009,094

8.905

0.004

9.497

0.003

10.321

0.005

93.83

0.03

99.9

0.03

90.42

0.03

857.8

0.6

153

2

153

2

null

5

P -1

-P 1

2

- C36 H23.5 F7.5 N2 O11.5 -

- C36 H23 F7.5 N2 O11.5 -

1

0.5

BM1349

Kovalevsky, A.Yu.; Shishkin, O. V.; Ponomarev, I.I.; Shishkina, S. V.

N,N'-Bis(3-methoxyphenyl)-1,8:4,5-naphthalenetetracarboximide‒trifluoroacetic acid‒phenol (1/2.5/0.5)

Acta Crystallographica Section C

1,999

55

11

1911

1913

10.1107/S010827019900949X

0.71073

MoKα

null

0.0887

null

0.236

null

1.13

null

has coordinates,has disorder

Kovalevsky, A.Yu.; Shishkin, O. V.; Ponomarev, I.I.; Shishkina, S. V. N,N'-Bis(3-methoxyphenyl)-1,8:4,5-naphthalenetetracarboximide‒trifluoroacetic acid‒phenol (1/2.5/0.5) Acta Crystallographica Section C 55(11) (1999) 1911-1913

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/2/00/90/2009094.cif $ #-------------------------------------------------------------------...

2,009,095

11.9557

0.0007

12.111

0.0007

17.931

0.001

99.79

0.001

98.943

0.001

114.365

0.001

2,255.8

0.2

188

2

188

2

null

6

P -1

-P 1

2

(tpp)Zr(Cl)[N(SiMe~3~)~2~] (tpp = 5,10,15,20-tetraphenylporphyrinato dianion)

- C50 H46 Cl N5 Si2 Zr -

- C100 H92 Cl2 N10 Si4 Zr2 -

2

1

BM1353

Kim, Hee-Joon; Kim, Kimoon

The first amidozirconium(IV)‒porphyrin complex: cis-[bis(trimethylsilyl)amido]chloro(tetraphenylporphyrinato)zirconium(IV)

Acta Crystallographica Section C

1,999

55

11

1814

1815

10.1107/S0108270199009919

0.71073

MoKα

0.039

0.032

null

0.081

null

1.104

null

has coordinates,has Fobs

Kim, Hee-Joon; Kim, Kimoon The first amidozirconium(IV)‒porphyrin complex: cis-[bis(trimethylsilyl)amido]chloro(tetraphenylporphyrinato)zirconium(IV) Acta Crystallographica Section C 55(11) (1999) 1814-1815

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/2/00/90/2009095.cif $ #-------------------------------------------------------------------...

4,321,878

8.4931

0.0006

17.264

0.001

17.699

0.001

90

null

99.517

0.006

90

null

2,559.4

0.3

294

null

294

null

?

6

C 1 2/c 1

-C 2yc

15

- C11 H11 Cd0.5 Cl N3 O4 -

- C88 H88 Cd4 Cl8 N24 O32 -

8

1

Zhiyong Wang; Ren-Gen Xiong; Bruce M. Foxman; Scott R. Wilson; Wenbin Lin

Two- and Three-Dimensional Cadmium Coordination Polymers Based on N,N-(2-Pyridyl)-(4-pyridylmethyl)amine

Inorganic Chemistry

1,999

38

1523

1528

10.1021/ic981123b

0.71073

MoKα

null

0.034

null

0.0391

null

1.0844

null

has coordinates

Zhiyong Wang; Ren-Gen Xiong; Bruce M. Foxman; Scott R. Wilson; Wenbin Lin Two- and Three-Dimensional Cadmium Coordination Polymers Based on N,N-(2-Pyridyl)-(4-pyridylmethyl)amine Inorganic Chemistry 38 (1999) 1523-1528

211,332

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2018-10-05 15:19:55 +0300 (Fri, 05 Oct 2018) $ #$Revision: 211332 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/18/4321878.cif $ #-------------------------------------------------------------------...

2,009,096

7.7939

0.0008

12.3957

0.0014

7.978

0.001

90

null

97.48

0.01

90

null

764.2

0.15

173

2

173

2

null

5

P 1 21/n 1

-P 2yn

14

4-Hydroxypiperidinium iodide

- C5 H12 I N O -

- C20 H48 I4 N4 O4 -

4

1

BM1355

Freytag, Matthias; Jones, Peter G.

Hydrogen bonding in two piperidinium derivatives

Acta Crystallographica Section C

1,999

55

11

1874

1877

10.1107/S0108270199009567

0.71073

MoKα

0.017

0.014

null

0.035

null

1.071

null

has coordinates,has Fobs

Freytag, Matthias; Jones, Peter G. Hydrogen bonding in two piperidinium derivatives Acta Crystallographica Section C 55(11) (1999) 1874-1877

301,791

2025-08-18

23:15:33

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2,009,097

9.1378

0.001

10.9924

0.0014

30.58

0.003

90

null

90

null

90

null

3,071.6

0.6

173

2

173

2

null

4

P b c a

-P 2ac 2ab

61

4-Methylpiperidinium 4-Methylpyridine-N-carboxylate Monohydrate

- C13 H28 N2 O3 -

- C104 H224 N16 O24 -

8

1

BM1355

Freytag, Matthias; Jones, Peter G.

Hydrogen bonding in two piperidinium derivatives

Acta Crystallographica Section C

1,999

55

11

1874

1877

10.1107/S0108270199009567

0.71073

MoKα

0.088

0.038

null

0.078

null

0.797

null

has coordinates,has Fobs

Freytag, Matthias; Jones, Peter G. Hydrogen bonding in two piperidinium derivatives Acta Crystallographica Section C 55(11) (1999) 1874-1877

301,791

2025-08-18

23:15:33

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2,009,098

16.3206

0.0007

15.6683

0.0007

19.3267

0.0009

90

null

90

null

90

null

4,942.1

0.4

160

2

160

2

null

5

P b c a

-P 2ac 2ab

61

- C13 H14 B N O2 -

- C208 H224 B16 N16 O32 -

16

2

BM1357

Clegg, William; Scott, Andrew J.; Souza, Fábio E.S.; Marder, Todd B.

1:1 Adducts of 4-picoline with methylcatecholborane and phenylcatecholborane

Acta Crystallographica Section C

1,999

55

11

1885

1888

10.1107/S0108270199010343

0.71073

MoKα

0.0618

0.0474

null

0.118

null

1.062

null

has coordinates

Clegg, William; Scott, Andrew J.; Souza, Fábio E.S.; Marder, Todd B. 1:1 Adducts of 4-picoline with methylcatecholborane and phenylcatecholborane Acta Crystallographica Section C 55(11) (1999) 1885-1888

301,791

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2,009,099

9.729

0.0013

10.3311

0.0014

15.589

0.002

91.087

0.003

106.477

0.003

94.123

0.003

1,497.4

0.3

160

2

160

2

null

5

P -1

-P 1

2

- C18 H16 B N O2 -

- C72 H64 B4 N4 O8 -

4

2

BM1357

Clegg, William; Scott, Andrew J.; Souza, Fábio E.S.; Marder, Todd B.

1:1 Adducts of 4-picoline with methylcatecholborane and phenylcatecholborane

Acta Crystallographica Section C

1,999

55

11

1885

1888

10.1107/S0108270199010343

0.71073

MoKα

0.1219

0.0644

null

0.1669

null

0.872

null

has coordinates

Clegg, William; Scott, Andrew J.; Souza, Fábio E.S.; Marder, Todd B. 1:1 Adducts of 4-picoline with methylcatecholborane and phenylcatecholborane Acta Crystallographica Section C 55(11) (1999) 1885-1888

301,791

2025-08-18

23:15:33

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2,009,100

12.564

0.004

13.452

0.004

7.021

0.002

90

null

113.74

0.03

90

null

1,086.2

0.6

293

2

293

2

null

4

C 1 2/c 1

-C 2yc

15

Cadmium sodium trivanadate

- Cd3.23 Na1.41 O12 V3.36 -

- Cd3.229 Na1.409 O12 V3.362 -

- Cd12.916 Na5.636 O48 V13.448 -

4

0.5

BR1215

Lahcen El Ammari; Mohamed Azrour; Wulf Depmeier; K.-F. Hesse; Brahim Elouadi

Cadmium sodium trivanadate

Acta Crystallographica Section C

1,999

55

11

1743

1746

10.1107/S0108270199007787

0.71069

MoKα

0.036

0.027

null

0.066

null

0.063

null

1.063

null

1.1

null

has coordinates

Lahcen El Ammari; Mohamed Azrour; Wulf Depmeier; K.-F. Hesse; Brahim Elouadi Cadmium sodium trivanadate Acta Crystallographica Section C 55(11) (1999) 1743-1746

176,759

2020-10-21

18:00:00

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2,009,101

6.266

0.001

6.266

0.001

8.103

0.002

90

null

90

null

120

null

275.52

0.09

350

1

350

1

null

3

P -3 m 1

-P 3 2"

164

Thallium Molybdate

Dithallium molybdate

- Mo O4 Tl2 -

- Mo2 O8 Tl4 -

2

0.166667

BR1242

Friese, K.; Madariaga, G.; Breczewski, T.

Tl~2~MoO~4~ at 350K

Acta Crystallographica Section C

1,999

55

11

1753

1755

10.1107/S0108270199008616

0.71073

MoKα

0.046

0.039

null

0.092

null

1.053

null

has coordinates,has Fobs

Friese, K.; Madariaga, G.; Breczewski, T. Tl~2~MoO~4~ at 350K Acta Crystallographica Section C 55(11) (1999) 1753-1755

301,791

2025-08-18

23:15:33

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2,009,102

9.124

0.004

7.792

0.0018

13.059

0.004

90

null

90

null

90

null

928.4

0.5

293

2

293

2

null

4

P 21 21 21

P 2ac 2ab

19

silver iododiphosphate

- Ag5 I O7 P2 -

- Ag20 I4 O28 P8 -

4

1

BR1248

Adams, Stefan; Preusser, Andrea

Silver-ion conduction pathways in Ag~5~IP~2~O~7~

Acta Crystallographica Section C

1,999

55

11

1741

1743

10.1107/S0108270199009634

0.71073

MoKα

0.028

0.025

null

0.063

null

1.118

null

has coordinates,has Fobs

Adams, Stefan; Preusser, Andrea Silver-ion conduction pathways in Ag~5~IP~2~O~7~ Acta Crystallographica Section C 55(11) (1999) 1741-1743

176,759

2020-10-21

18:00:00

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2,009,103

8.4551

0.0003

8.4551

0.0003

8.4551

0.0003

90

null

90

null

90

null

604.44

0.04

293

2

298

2

null

4

F d -3 m :2

-F 4vw 2vw 3

227

Franklinite

Zinc Iron Oxide

- Fe1.96 Mn0.36 O4 Zn0.68 -

- Fe2 Mn0.35 O4 Zn0.65 -

- Fe16 Mn2.8 O32 Zn5.2 -

8

0.041667

BR1249

Doriguetto, Antônio C.; Fernandes, Nelson G.

Manganese-rich natural Franklinite

Acta Crystallographica Section C

1,999

55

11

1751

1753

10.1107/S0108270199010045

0.71073

MoKα

0.018

0.017

null

0.026

null

1.3

null

has coordinates

Doriguetto, Antônio C.; Fernandes, Nelson G. Manganese-rich natural Franklinite Acta Crystallographica Section C 55(11) (1999) 1751-1753

176,759

2020-10-21

18:00:00

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4,321,877

18.1364

0.0009

9.3524

0.0009

6.664

0.001

90

null

90

null

90

null

1,130.3

0.2

293.2

null

293.2

null

4

C m c m

-C 2c 2

63

- C12 H8 N4 Pt -

- C48 H32 N16 Pt4 -

4

0.25

Masako Kato; Chizuko Kosuge; Katsuyuki Morii; Jeung Sun Ahn; Hiroshi Kitagawa; Tadaoki Mitani; Michio Matsushita; Tatsuhisa Kato; Shigenobu Yano; Masaru Kimura

Luminescence Properties and Crystal Structures of Dicyano(diimine)platinum(II) Complexes Controlled by Pt...Pt and π-π Interactions

Inorganic Chemistry

1,999

38

1638

1641

10.1021/ic981027a

0.7107

MoKα

0.0276

0.0253

null

0.0673

0.0659

0.0673

null

1.028

null

1.028

null

has coordinates

Masako Kato; Chizuko Kosuge; Katsuyuki Morii; Jeung Sun Ahn; Hiroshi Kitagawa; Tadaoki Mitani; Michio Matsushita; Tatsuhisa Kato; Shigenobu Yano; Masaru Kimura Luminescence Properties and Crystal Structures of Dicyano(diimine)platinum(II) Complexes Controlled by Pt...Pt and π-π Interactions Inorganic Chemistry 38 (1999...

176,467

2020-10-21

18:00:00

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2,009,104

8.045

0.002

18.037

0.002

10.056

0.001

90

null

99.27

0.01

90

null

1,440.1

0.4

293

2

293

2

null

5

P 1 21/a 1

-P 2yab

14

Tetrakis(Cyclopropylammonium)Cyclotetraphosphate Tetrahydrate

- C12 H40 N4 O16 P4 -

- C24 H80 N8 O32 P8 -

2

0.5

CF1294

Soumhi, El Hassane; Saadoune, Ismael; Driss, Ahmed; Jouini, Tahar

Tetrakis(cyclopropylammonium) cyclotetraphosphate tetrahydrate

Acta Crystallographica Section C

1,999

55

11

1932

1934

10.1107/S010827019900877X

0.71069

MoKα

0.0396

0.0335

null

0.0906

null

1.058

null

has coordinates

Soumhi, El Hassane; Saadoune, Ismael; Driss, Ahmed; Jouini, Tahar Tetrakis(cyclopropylammonium) cyclotetraphosphate tetrahydrate Acta Crystallographica Section C 55(11) (1999) 1932-1934

301,791

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23:15:33

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2,009,105

13.0824

0.0019

18.808

0.003

29.608

0.005

90

null

90

null

90

null

7,285

2

293

2

293

2

null

6

P 21 21 21

P 2ac 2ab

19

(R,R)-Jacobsen's Catalyst

(1R,2R)-(-)-1,2-Cyclohexanediamino-N,N'-bis(3,5-di-t-butyl-salicylidene) manganese(III) chloride: A Jacobsen's Catalyst

- C36 H52 Cl Mn N2 O2 -

- C288 H416 Cl8 Mn8 N16 O16 -

8

2

CF1320

Yoon, Jae Woong; Yoon, Tae-Sung; Lee, Soon Won; Shin, Whanchul

(1R,2R)-(‒)-[Bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexanediamine]chloromanganese(III), an (R,R)-Jacobsen catalyst

Acta Crystallographica Section C

1,999

55

11

1766

1769

10.1107/S0108270199009397

0.71073

MoKα

0.065

0.048

null

0.138

null

1.029

null

has coordinates

Yoon, Jae Woong; Yoon, Tae-Sung; Lee, Soon Won; Shin, Whanchul (1R,2R)-(‒)-[Bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexanediamine]chloromanganese(III), an (R,R)-Jacobsen catalyst Acta Crystallographica Section C 55(11) (1999) 1766-1769

176,759

2020-10-21

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2,009,106

11.905

0.002

9.9448

0.0014

14.8508

0.0015

90

null

110.079

0.01

90

null

1,651.4

0.4

150

2

null

5

P 1 21/n 1

-P 2yn

14

- C9 H13 Cl5 O3 Zr -

- C18 H24 Cl10 O6 Zr2 -

- C36 H48 Cl20 O12 Zr4 -

2

0.5

CF1324

Coles, Simon J.; Hursthouse, Michael B.; Kelly, David G.; Walker, Neil M.

The salt of the di-μ-chloro-bis[tetrachlorozirconium(IV)] anion with protonated 1,3,5-trimethoxybenzene as cation

Acta Crystallographica Section C

1,999

55

11

1789

1791

10.1107/S0108270199010355

0.71069

MoKα

null

0.036

null

0.147

null

0.975

null

has coordinates,has Fobs

Coles, Simon J.; Hursthouse, Michael B.; Kelly, David G.; Walker, Neil M. The salt of the di-μ-chloro-bis[tetrachlorozirconium(IV)] anion with protonated 1,3,5-trimethoxybenzene as cation Acta Crystallographica Section C 55(11) (1999) 1789-1791

176,759

2020-10-21

18:00:00

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2,009,107

12.0332

0.0006

10.5925

0.0006

12.1984

0.0007

90

null

107.432

0.003

90

null

1,483.42

0.14

200

2

200

2

null

4

P 1 21/n 1

-P 2yn

14

- Cl3 H6 In O3 -

- Cl24 H48 In8 O24 -

8

2

CF1325

Aris, Damian R.; Errington, William; Willey, Gerald R.

fac-Triaquatrichloroindium(III)

Acta Crystallographica Section C

1,999

55

11

1746

1748

10.1107/S0108270199008793

0.71073

MoKα

0.028

0.022

null

0.048

null

0.977

null

has coordinates,has Fobs

Aris, Damian R.; Errington, William; Willey, Gerald R. fac-Triaquatrichloroindium(III) Acta Crystallographica Section C 55(11) (1999) 1746-1748

176,759

2020-10-21

18:00:00

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2,009,108

9.645

0.008

9.994

0.002

12.918

0.006

90

null

90

null

90

null

1,245.2

1.2

203

2

203

2

null

5

P n m a

-P 2ac 2n

62

bis(trimetylamine) aluminiumtrichloride

- C6 H18 Al Cl3 N2 -

- C24 H72 Al4 Cl12 N8 -

4

0.5

CF1327

Gelbrich, Thomas; Dümichen, Ulf; Sieler, Joachim

Bis-adduct of trimethylamine with aluminium trichloride

Acta Crystallographica Section C

1,999

55

11

1797

1798

10.1107/S0108270199009658

0.71069

MoKα

0.026

0.02

null

0.059

null

1.053

null

has coordinates,has Fobs

Gelbrich, Thomas; Dümichen, Ulf; Sieler, Joachim Bis-adduct of trimethylamine with aluminium trichloride Acta Crystallographica Section C 55(11) (1999) 1797-1798

176,759

2020-10-21

18:00:00

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2,009,109

10.1159

0.0005

15.5291

0.0007

13.363

0.0006

90

null

110.744

0.001

90

null

1,963.12

0.16

180

2

180

2

null

6

P 1 21/n 1

-P 2yn

14

3'-(2,3-Dimethyl-5-oxo-1-phenyl-3-pyrazolin-4-yl) Spiro (5-fluoro-3H-indol-3,2'-thiazolidine)-2,4'-(1H)-dione

- C21 H17 F N4 O3 S -

- C84 H68 F4 N16 O12 S4 -

4

1

CF1329

Jain, Subhash C.; Sinha, Juhi; Bhagat, Sunita; Babu, B. Ravindra; Bali, Shilpika

3'-(2,3-Dimethyl-5-oxo-1-phenyl-3-pyrazolin-4-yl)-5-fluorospiro[3H-indole-3,2'-thiazolidine]-2(1H),4'-dione

Acta Crystallographica Section C

1,999

55

11

1826

1829

10.1107/S010827019900966X

0.71073

MoKα

0.053

0.037

null

0.097

0.09

null

1.03

1.094

null

has coordinates,has Fobs

Jain, Subhash C.; Sinha, Juhi; Bhagat, Sunita; Babu, B. Ravindra; Bali, Shilpika 3'-(2,3-Dimethyl-5-oxo-1-phenyl-3-pyrazolin-4-yl)-5-fluorospiro[3H-indole-3,2'-thiazolidine]-2(1H),4'-dione Acta Crystallographica Section C 55(11) (1999) 1826-1829

301,791

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23:15:33

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4,321,876

27.54

0.08

18.27

0.06

6.6

0.06

90

null

90

null

90

null

3,321

3

220

null

123.2

null

5

P b c a

-P 2ac 2ab

61

- C20 H13 N4 O0.5 Pt -

- C20 H12 N4 O0.5 Pt -

- C160 H96 N32 O4 Pt8 -

8

1

Masako Kato; Chizuko Kosuge; Katsuyuki Morii; Jeung Sun Ahn; Hiroshi Kitagawa; Tadaoki Mitani; Michio Matsushita; Tatsuhisa Kato; Shigenobu Yano; Masaru Kimura

Luminescence Properties and Crystal Structures of Dicyano(diimine)platinum(II) Complexes Controlled by Pt...Pt and π-π Interactions

Inorganic Chemistry

1,999

38

1638

1641

10.1021/ic981027a

0.7107

MoKα

0.1549

0.0771

null

0.144

0.1091

0.144

null

1.224

1.356

null

has coordinates

Masako Kato; Chizuko Kosuge; Katsuyuki Morii; Jeung Sun Ahn; Hiroshi Kitagawa; Tadaoki Mitani; Michio Matsushita; Tatsuhisa Kato; Shigenobu Yano; Masaru Kimura Luminescence Properties and Crystal Structures of Dicyano(diimine)platinum(II) Complexes Controlled by Pt...Pt and π-π Interactions Inorganic Chemistry 38 (1999...

176,467

2020-10-21

18:00:00

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2,009,110

11.7637

0.0013

13.961

0.0015

9.6642

0.001

90

null

113.054

0.003

90

null

1,460.4

0.3

180

2

180

2

null

4

P 1 21/c 1

-P 2ybc

14

2,3-Diphenyl-5-acetoxyisoxazolidene

- C17 H17 N O3 -

- C68 H68 N4 O12 -

4

1

CF1330

Mukherjee, Shubhasish; Parmar, Virinder S; Errington, William

5-Acetoxy-2,3-diphenylisoxazolidine and 5-acetoxy-3-(4-nitrophenyl)-2-phenylisoxazolidine

Acta Crystallographica Section C

1,999

55

11

1829

1831

10.1107/S0108270199010367

0.71073

MoKα

0.0955

0.0505

null

0.123

null

0.997

null

has coordinates

Mukherjee, Shubhasish; Parmar, Virinder S; Errington, William 5-Acetoxy-2,3-diphenylisoxazolidine and 5-acetoxy-3-(4-nitrophenyl)-2-phenylisoxazolidine Acta Crystallographica Section C 55(11) (1999) 1829-1831

301,791

2025-08-18

23:15:33

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2,009,111

17.9115

0.0013

11.6279

0.0013

7.701

0.0007

90

null

95.842

0.003

90

null

1,595.6

0.3

180

2

180

2

null

4

C 1 c 1

C -2yc

9

2-phenyl-3-(4-nitrophenyl)-5-acetoxyisoxazolidine

- C17 H16 N2 O5 -

- C68 H64 N8 O20 -

4

1

CF1330

Mukherjee, Shubhasish; Parmar, Virinder S; Errington, William

5-Acetoxy-2,3-diphenylisoxazolidine and 5-acetoxy-3-(4-nitrophenyl)-2-phenylisoxazolidine

Acta Crystallographica Section C

1,999

55

11

1829

1831

10.1107/S0108270199010367

0.71073

MoKα

0.0632

0.0431

null

0.0977

null

0.912

null

has coordinates

Mukherjee, Shubhasish; Parmar, Virinder S; Errington, William 5-Acetoxy-2,3-diphenylisoxazolidine and 5-acetoxy-3-(4-nitrophenyl)-2-phenylisoxazolidine Acta Crystallographica Section C 55(11) (1999) 1829-1831

301,791

2025-08-18

23:15:33

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2,009,112

17.3562

0.0019

6.0765

0.0006

15.8695

0.0017

90

null

98.732

0.004

90

null

1,654.3

0.3

293

2

293

2

null

4

C 1 2/c 1

-C 2yc

15

N-(4-Chlorophenyl-N-methylcyanamide

- C8 H7 Cl N2 -

- C64 H56 Cl8 N16 -

8

1

CF1331

Cunningham, Ian D.; Light, Mark E.; Hursthouse, Michael B.

N-(4-Chlorophenyl)-N-methylcyanamide

Acta Crystallographica Section C

1,999

55

11

1833

1835

10.1107/S0108270199010379

0.71073

MoKα

null

0.0486

null

0.1408

null

0.993

null

has coordinates

Cunningham, Ian D.; Light, Mark E.; Hursthouse, Michael B. N-(4-Chlorophenyl)-N-methylcyanamide Acta Crystallographica Section C 55(11) (1999) 1833-1835

301,791

2025-08-18

23:15:33

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2,009,113

6.108

0.001

7.026

0.002

11.492

0.002

97.21

0.02

99.23

0.02

96.39

0.02

478.57

0.18

293

2

293

2

null

5

P -1

-P 1

2

2,2'-bipyridine-5-sulfonic acid

- C10 H8 N2 O3 S -

- C20 H16 N4 O6 S2 -

2

1

DA1080

Burrows, Andrew D.; Harrington, Ross W.; Mahon, Mary F.

2,2'-Bipyridine-5-sulfonic acid

Acta Crystallographica Section C

1,999

55

11

1921

1923

10.1107/S0108270199010203

0.71069

MoKα

0.032

0.029

null

0.082

0.077

null

1.075

1.105

null

has coordinates

Burrows, Andrew D.; Harrington, Ross W.; Mahon, Mary F. 2,2'-Bipyridine-5-sulfonic acid Acta Crystallographica Section C 55(11) (1999) 1921-1923

301,791

2025-08-18

23:15:33

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2,009,114

6.2452

0.0005

7.869

0.0006

24.151

0.0014

90

null

90

null

90

null

1,186.86

0.15

297

null

293

null

4

P 21 21 21

P 2ac 2ab

19

- C12 H18 N2 O3 -

- C48 H72 N8 O12 -

4

1

DA1097

Billodeaux, Damon R.; Fronczek, Frank R.; Dürüst, Yaşar

2,6-Dimethylspiro[1-oxa-2,5-diazabicyclo[3.3.0]octane-3,1'-cyclohexane]-4,6-dione

Acta Crystallographica Section C

1,999

55

11

1943

1945

10.1107/S0108270199010082

1.54184

CuKα

0.036

0.034

null

0.106

null

1.063

null

has coordinates,has Fobs

Billodeaux, Damon R.; Fronczek, Frank R.; Dürüst, Yaşar 2,6-Dimethylspiro[1-oxa-2,5-diazabicyclo[3.3.0]octane-3,1'-cyclohexane]-4,6-dione Acta Crystallographica Section C 55(11) (1999) 1943-1945

301,791

2025-08-18

23:15:33

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2,009,115

9.866

0.002

6.01

0.003

21.697

0.005

90

null

99.58

0.01

90

null

1,268.6

0.7

293

2

293

2

null

3

P 1 21/c 1

-P 2ybc

14

(±)-endo3-Benzoylbicyclo[2.2.1]heptane-endo2-carboxylic acid

- C15 H16 O3 -

- C60 H64 O12 -

4

1

FG1565

Brunskill, Andrew P. J.; Lalancette, Roger A.; Thompson, Hugh W.

(±)-3-Benzoylbicyclo[2.2.1]heptane-2-carboxylic acid: structures and hydrogen-bonding patterns of the di-endo and the 2-endo-3-exo isomers

Acta Crystallographica Section C

1,999

55

11

1905

1908

10.1107/S0108270199009245

0.71073

MoKα

0.106

0.052

null

0.122

null

1.06

null

has coordinates

Brunskill, Andrew P. J.; Lalancette, Roger A.; Thompson, Hugh W. (±)-3-Benzoylbicyclo[2.2.1]heptane-2-carboxylic acid: structures and hydrogen-bonding patterns of the di-endo and the 2-endo-3-exo isomers Acta Crystallographica Section C 55(11) (1999) 1905-1908

301,791

2025-08-18

23:15:33

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4,321,875

27.99

0.01

18.318

0.008

6.68

0.01

90

null

90

null

90

null

3,425

5

293.2

null

293.2

null

5

P b c a

-P 2ac 2ab

61

- C20 H13 N4 O0.5 Pt -

- C20 H12 N4 O0.5 Pt -

- C160 H96 N32 O4 Pt8 -

8

1

Masako Kato; Chizuko Kosuge; Katsuyuki Morii; Jeung Sun Ahn; Hiroshi Kitagawa; Tadaoki Mitani; Michio Matsushita; Tatsuhisa Kato; Shigenobu Yano; Masaru Kimura

Luminescence Properties and Crystal Structures of Dicyano(diimine)platinum(II) Complexes Controlled by Pt...Pt and π-π Interactions

Inorganic Chemistry

1,999

38

1638

1641

10.1021/ic981027a

0.7107

MoKα

0.1559

0.0399

null

0.1426

0.1038

0.1426

null

1.011

null

1.011

null

has coordinates

Masako Kato; Chizuko Kosuge; Katsuyuki Morii; Jeung Sun Ahn; Hiroshi Kitagawa; Tadaoki Mitani; Michio Matsushita; Tatsuhisa Kato; Shigenobu Yano; Masaru Kimura Luminescence Properties and Crystal Structures of Dicyano(diimine)platinum(II) Complexes Controlled by Pt...Pt and π-π Interactions Inorganic Chemistry 38 (1999...

176,467

2020-10-21

18:00:00

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2,009,116

7.646

0.002

10.799

0.004

15.446

0.005

90

null

93.02

0.02

90

null

1,273.6

0.7

293

2

293

2

null

3

P 1 21/c 1

-P 2ybc

14

(±)-exo3-Benzoylbicyclo[2.2.1]heptane-endo2-carboxylic acid

- C15 H16 O3 -

- C60 H64 O12 -

4

1

FG1565

Brunskill, Andrew P. J.; Lalancette, Roger A.; Thompson, Hugh W.

(±)-3-Benzoylbicyclo[2.2.1]heptane-2-carboxylic acid: structures and hydrogen-bonding patterns of the di-endo and the 2-endo-3-exo isomers

Acta Crystallographica Section C

1,999

55

11

1905

1908

10.1107/S0108270199009245

0.71073

MoKα

0.067

0.044

null

0.101

null

1.02

null

has coordinates

Brunskill, Andrew P. J.; Lalancette, Roger A.; Thompson, Hugh W. (±)-3-Benzoylbicyclo[2.2.1]heptane-2-carboxylic acid: structures and hydrogen-bonding patterns of the di-endo and the 2-endo-3-exo isomers Acta Crystallographica Section C 55(11) (1999) 1905-1908

301,791

2025-08-18

23:15:33

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2,009,117

10.399

0.002

15.132

0.003

14.28

0.003

90

null

91.21

0.03

90

null

2,246.6

0.8

150

2

null

5

P 1 21/n 1

-P 2yn

14

- C9 H9 N3 O2 S2 -

- C72 H72 N24 O16 S16 -

8

2

FG1566

Hughes, David S.; Hursthouse, Michael B.; Threlfall, Terry; Tavener, Stewart

A new polymorph of sulfathiazole

Acta Crystallographica Section C

1,999

55

11

1831

1833

10.1107/S0108270199010112

0.71073

MoKα

null

0.046

null

0.079

null

0.858

null

has coordinates,has Fobs

Hughes, David S.; Hursthouse, Michael B.; Threlfall, Terry; Tavener, Stewart A new polymorph of sulfathiazole Acta Crystallographica Section C 55(11) (1999) 1831-1833

301,791

2025-08-18

23:15:33

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2,009,118

12.269

0.002

6.081

0.001

20.176

0.002

90

null

102.629

0.009

90

null

1,468.9

0.4

293

2

293

2

null

5

P 1 21/n 1

-P 2yn

14

- C12 H13 Cl3 O Te -

- C48 H52 Cl12 O4 Te4 -

4

1

FG1570

Zukerman-Schpector, J.; Camillo, Robinson L.; Comasseto, João V.; Cunha, Rodrigo L. O. R.; Lemos, Francisco C.D.; Caracelli, I.

Acetonyldichloro[(Z)-2-chloro-1-methyl-2-phenylethenyl]tellurium(IV)

Acta Crystallographica Section C

1,999

55

11

1930

1932

10.1107/S0108270199009269

0.71073

MoKα

0.039

0.03

null

0.086

null

1.047

null

has coordinates

Zukerman-Schpector, J.; Camillo, Robinson L.; Comasseto, João V.; Cunha, Rodrigo L. O. R.; Lemos, Francisco C.D.; Caracelli, I. Acetonyldichloro[(Z)-2-chloro-1-methyl-2-phenylethenyl]tellurium(IV) Acta Crystallographica Section C 55(11) (1999) 1930-1932

301,791

2025-08-18

23:15:33

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2,009,119

7.385

0.001

11.491

0.002

15.202

0.002

90

null

101.94

0.01

90

null

1,262.1

0.3

293

2

293

2

null

3

P 1 21 1

P 2yb

4

(+)-3-Oxoglycyrrhetinic acid

(+)-10,13-dioxo-2α,4aβ,6aα,6bβ,9,9,-12aβ-heptamethyl -1,2,3,4,4a,5,6,6a,6b,7,8,8aα,9,10,11,12,12a,12bα,13,14bβ -icosahydropicene-2β-carboxylic acid

- C30 H44 O4 -

- C60 H88 O8 -

2

1

FG1571

Brunskill, Andrew P. J.; Thompson, Hugh W.; Lalancette, Roger A.

(+)-3-Oxoglycyrrhetinic acid: catemeric hydrogen bonding in a non-racemic triterpenoid diketo acid

Acta Crystallographica Section C

1,999

55

11

1902

1905

10.1107/S0108270199010124

0.71073

MoKα

0.061

0.041

null

0.095

null

1.03

null

has coordinates

Brunskill, Andrew P. J.; Thompson, Hugh W.; Lalancette, Roger A. (+)-3-Oxoglycyrrhetinic acid: catemeric hydrogen bonding in a non-racemic triterpenoid diketo acid Acta Crystallographica Section C 55(11) (1999) 1902-1905

301,791

2025-08-18

23:15:33

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2,009,120

10.741

0.001

12.387

0.001

12.196

0.002

90

null

112.61

0.01

90

null

1,497.9

0.3

295

null

6

P 1 21/c 1

-P 2ybc

14

- C17 H10 Cl N3 O S -

- C68 H40 Cl4 N12 O4 S4 -

4

1

FR1204

Özbey, Süheyla; Kendi, Engin; Tozkoparan, Birsen; Ertan, Mevlüt

6-Benzylidene-2-(2-chlorophenyl)thiazolo[3,2-b]-1,2,4-triazol-5(6H)-one

Acta Crystallographica Section C

1,999

55

11

1939

1941

10.1107/S0108270199009816

0.71069

MoKα

null

0.035

null

0.045

null

0.9

null

has coordinates

Özbey, Süheyla; Kendi, Engin; Tozkoparan, Birsen; Ertan, Mevlüt 6-Benzylidene-2-(2-chlorophenyl)thiazolo[3,2-b]-1,2,4-triazol-5(6H)-one Acta Crystallographica Section C 55(11) (1999) 1939-1941

301,791

2025-08-18

23:15:33

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4,321,874

11.88

0.001

15.036

0.001

17.396

0.001

94.986

0.005

103.34

0.005

98.286

0.005

2,968.6

0.4

296

null

296

null

5

P -1

-P 1

2

Gd2(34dtpabn)

diaqua- (2,12,19,29-tetraoxo-1,4,7,10,13,18,21,24,27,30-deca-aza-4,7,10,21,24,27- cyclotetratriacontanehexaacetato)-di-gadolinium(iii) heptahydrate di-iso-propanol

- C42 H90 Gd2 N10 O27 -

- C84 H180 Gd4 N20 O54 -

2

1

Michiko B. Inoue; Hisila Santacruz; Motomichi Inoue; Quintus Fernando

Binuclear Gd3+ Complex of a 34-Membered Macrocycle with Six Carboxymethyl Arms: X-ray Structures, Formation Constants, NMR, EPR, and 1H NMR Relaxivities

Inorganic Chemistry

1,999

38

7

1596

1602

10.1021/ic981015p

0.71073

MoKα

null

0.039

null

0.045

null

1.29

null

has coordinates

Michiko B. Inoue; Hisila Santacruz; Motomichi Inoue; Quintus Fernando Binuclear Gd3+ Complex of a 34-Membered Macrocycle with Six Carboxymethyl Arms: X-ray Structures, Formation Constants, NMR, EPR, and 1H NMR Relaxivities Inorganic Chemistry 38(7) (1999) 1596-1602

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/4/32/18/4321874.cif $ #-------------------------------------------------------------------...

2,009,121

15.14

0.002

9.671

0.001

7.621

0.002

90

null

117.85

0.01

90

null

986.6

0.3

296

null

296

null

3

C 1 2/c 1

-C 2yc

15

acenaphthene-5,6-dicarboxylic anhydride

- C14 H8 O3 -

- C56 H32 O12 -

4

0.5

FR1213

Blackburn, Anthony C.; Fitzgerald, Lawrence J.; Gerkin, Roger E.

C—H···O interactions in acenaphthene-5,6-dicarboxylic anhydride

Acta Crystallographica Section C

1,999

55

11

1852

1854

10.1107/S0108270199009270

0.71073

MoKα

null

0.041

null

0.079

null

1.85

null

has coordinates

Blackburn, Anthony C.; Fitzgerald, Lawrence J.; Gerkin, Roger E. C—H···O interactions in acenaphthene-5,6-dicarboxylic anhydride Acta Crystallographica Section C 55(11) (1999) 1852-1854

301,791

2025-08-18

23:15:33

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2,009,122

10.4475

0.0001

10.4475

0.0001

22.8183

0.0002

90

null

90

null

90

null

2,490.62

0.04

293

2

293

2

null

6

P 41 21 2

P 4abw 2nw

92

10,11-Dibromo-3,6-ditosyl-3,6-diazabicyclo[6.4.0]dodeca-1(8),9,11-triene

- C24 H24 Br2 N2 O4 S2 -

- C96 H96 Br8 N8 O16 S8 -

4

0.5

FR1214

Şamil Işık; Sema Öztürk; Hoong-Kun Fun; Erbil Ag̃ar; Selami Şaşmaz

10,11-Dibromo-3,6-ditosyl-3,6-diazabicyclo[6.4.0]dodeca-1(8),9,11-triene

Acta Crystallographica Section C

1,999

55

11

1850

1852

10.1107/S0108270199010136

0.71073

MoKα

0.128

0.06

null

0.141

null

1.01

null

has coordinates

Şamil Işık; Sema Öztürk; Hoong-Kun Fun; Erbil Ag̃ar; Selami Şaşmaz 10,11-Dibromo-3,6-ditosyl-3,6-diazabicyclo[6.4.0]dodeca-1(8),9,11-triene Acta Crystallographica Section C 55(11) (1999) 1850-1852

301,791

2025-08-18

23:15:33

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2,009,123

4.963

0.001

10.458

0.002

28.31

0.004

90

null

94.716

0.016

90

null

1,464.4

0.5

293

2

null

5

P 1 21/c 1

-P 2ybc

14

- C18 H15 N O2 S -

- C72 H60 N4 O8 S4 -

4

1

FR1217

Luck, Rudy L.; Bates, Dallas K.; Li, Kexue; Xia, Mingde

1-[(1,3-Dihydro-2-benzothienyl)acetyl]-1H-indole S-oxide

Acta Crystallographica Section C

1,999

55

11

1873

1874

10.1107/S0108270199010148

0.71069

MoKα

null

0.035

null

0.104

null

1.053

null

has coordinates

Luck, Rudy L.; Bates, Dallas K.; Li, Kexue; Xia, Mingde 1-[(1,3-Dihydro-2-benzothienyl)acetyl]-1H-indole S-oxide Acta Crystallographica Section C 55(11) (1999) 1873-1874

301,791

2025-08-18

23:15:33

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2,009,124

9.374

0.002

10.391

0.001

13.41

0.001

90

null

105.54

0.01

90

null

1,258.5

0.3

296

null

296

null

3

P 1 21/n 1

-P 2yn

14

2',5'-dimethylbiphenyl-2-carboxylic acid

- C15 H14 O2 -

- C60 H56 O8 -

4

1

FR1218

Gerkin, Roger E.

2',5'-Dimethylbiphenyl-2-carboxylic acid

Acta Crystallographica Section C

1,999

55

11

1859

1861

10.1107/S010827019900904X

0.71073

MoKα

null

0.056

null

0.063

null

1.52

null

has coordinates

Gerkin, Roger E. 2',5'-Dimethylbiphenyl-2-carboxylic acid Acta Crystallographica Section C 55(11) (1999) 1859-1861

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/2/00/91/2009124.cif $ #-------------------------------------------------------------------...

2,009,125

5.318

0.001

23.1

0.001

7.619

0.002

90

null

109.92

0.01

90

null

880

0.3

296

null

296

null

3

P 1 21/c 1

-P 2ybc

14

3-(2-methylphenyl)propan-1-oic acid

- C10 H12 O2 -

- C40 H48 O8 -

4

1

FR1221

Gerkin, Roger E.

3-(2-Methylphenyl)propanoic acid

Acta Crystallographica Section C

1,999

55

11

1857

1859

10.1107/S0108270199009063

0.71073

MoKα

null

0.051

null

0.082

null

1.44

null

has coordinates

Gerkin, Roger E. 3-(2-Methylphenyl)propanoic acid Acta Crystallographica Section C 55(11) (1999) 1857-1859

301,791

2025-08-18

23:15:33

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2,009,126

17.4

0.003

27.085

0.002

6.119

0.002

90

null

90

null

90

null

2,883.8

1.1

296

null

296

null

3

P b c a

-P 2ac 2ab

61

- C18 H14 O4 -

- C144 H112 O32 -

8

1

FR1226

Aumiller, Wade D.; Gerkin, Roger E.

Network of C—H···O interactions in dimethyl anthracene-1,8-dicarboxylate

Acta Crystallographica Section C

1,999

55

11

1855

1857

10.1107/S010827019900983X

0.71073

MoKα

null

0.063

null

0.076

null

1.29

null

has coordinates

Aumiller, Wade D.; Gerkin, Roger E. Network of C—H···O interactions in dimethyl anthracene-1,8-dicarboxylate Acta Crystallographica Section C 55(11) (1999) 1855-1857

301,791

2025-08-18

23:15:33

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2,009,127

10.361

0.006

8.144

0.004

20.158

0.003

90

null

101.299

0.008

90

null

1,668

1.3

295

null

295

null

4

P 1 21/c 1

-P 2ybc

14

Bis(1-dimethylaminomethyl-8-dimethylammoniomethylnaphthalene) 3,4-dioxocyclobut-1-ene-1,2-diolate dihydrate

- C36 H50 N4 O6 -

- C72 H100 N8 O12 -

2

0.5

GD1043

Bouma, Barend; Kooijman, Huub; Kroon, Jan; Grech, Eugeniusz; Brzezinski, Bogumił

1,8-Bis(dimethylaminomethyl)naphthalene bis(squaric acid) dihydrate

Acta Crystallographica Section C

1,999

55

11

1824

1826

10.1107/S0108270199009853

0.71073

MoKα

0.0787

0.0483

null

0.1366

null

1.043

null

has coordinates,has Fobs

Bouma, Barend; Kooijman, Huub; Kroon, Jan; Grech, Eugeniusz; Brzezinski, Bogumił 1,8-Bis(dimethylaminomethyl)naphthalene bis(squaric acid) dihydrate Acta Crystallographica Section C 55(11) (1999) 1824-1826

176,759

2020-10-21

18:00:00

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4,321,873

14.566

0.002

10.968

0.001

16.133

0.002

90

null

105.62

0.01

90

null

2,482.2

0.5

293

null

293

null

4

P 1 21/n 1

-P 2yn

14

(34dtpabn)H6

2,12,19,29-tetraoxo-1,4,7,10,13,18,21,24,27,30-deca-aza-4,7,10,21,24,27- cyclotetratriacontanehexaacetic acid di-acetone

- C42 H74 N10 O18 -

- C84 H148 N20 O36 -

2

0.5

Michiko B. Inoue; Hisila Santacruz; Motomichi Inoue; Quintus Fernando

Binuclear Gd3+ Complex of a 34-Membered Macrocycle with Six Carboxymethyl Arms: X-ray Structures, Formation Constants, NMR, EPR, and 1H NMR Relaxivities

Inorganic Chemistry

1,999

38

1596

1602

10.1021/ic981015p

0.71073

MoKα

null

0.049

null

0.058

null

1.78

null

has coordinates

Michiko B. Inoue; Hisila Santacruz; Motomichi Inoue; Quintus Fernando Binuclear Gd3+ Complex of a 34-Membered Macrocycle with Six Carboxymethyl Arms: X-ray Structures, Formation Constants, NMR, EPR, and 1H NMR Relaxivities Inorganic Chemistry 38 (1999) 1596-1602

179,321

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:18:08 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179321 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/18/4321873.cif $ #-------------------------------------------------------------------...

2,009,128

9.8833

0.001

17.9581

0.001

19.2752

0.001

90

null

90.578

0.01

90

null

3,420.9

0.4

120

2

120

2

null

5

C 1 2/c 1

-C 2yc

15

(8-Dimethylamino-1-naphtyl)dimethylammonium 6-fluoro-2-(trifluoromethyl)-4-quinolinolate -6-fluoro-2-(trifluoromethyl)-4-quinolinol

- C36 H31 F8 N5 O2 -

- C34 H28 F8 N4 O2 -

- C136 H112 F32 N16 O8 -

4

0.5

GD1044

Vergeer, Peter; Kooijman, Huub; Schreurs, Antoine M.M.; Kroon, Jan; Grech, Eugeniusz

1,8-Bis(dimethylamino)naphthalene bis[6-fluoro-2-(trifluoromethyl)-4-quinolinol] acetonitrile solvate

Acta Crystallographica Section C

1,999

55

11

1822

1824

10.1107/S0108270199009671

0.7173

MoKα

0.0896

0.058

null

0.12

null

1.119

null

has coordinates

Vergeer, Peter; Kooijman, Huub; Schreurs, Antoine M.M.; Kroon, Jan; Grech, Eugeniusz 1,8-Bis(dimethylamino)naphthalene bis[6-fluoro-2-(trifluoromethyl)-4-quinolinol] acetonitrile solvate Acta Crystallographica Section C 55(11) (1999) 1822-1824

176,759

2020-10-21

18:00:00

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2,009,129

7.3872

0.0009

9.6082

0.0013

7.4972

0.0014

90

null

115.444

0.01

90

null

480.52

0.13

298

2

298

2

null

3

P 1 21 1

P 2yb

4

(+)-trans-Pinononic acid

(+)-trans-3-acetyl-2,2-dimethylcyclobutanecarboxylic acid

- C9 H14 O3 -

- C18 H28 O6 -

2

1

GD1053

Barcon, Alan; Brunskill, Andrew P. J.; Thompson, Hugh W.; Lalancette, Roger A.

(+)-trans-Pinononic acid: hydrogen-bonding patterns in a non-racemic δ-keto acid

Acta Crystallographica Section C

1,999

55

11

1899

1902

10.1107/S0108270199010380

0.71073

MoKα

0.041

0.035

null

0.09

null

1.06

null

has coordinates

Barcon, Alan; Brunskill, Andrew P. J.; Thompson, Hugh W.; Lalancette, Roger A. (+)-trans-Pinononic acid: hydrogen-bonding patterns in a non-racemic δ-keto acid Acta Crystallographica Section C 55(11) (1999) 1899-1902

301,791

2025-08-18

23:15:33

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2,009,130

8.623

0.002

8.631

0.0008

14.896

0.003

90

null

102.848

0.009

90

null

1,080.9

0.3

293

2

293

2

null

5

P 1 c 1

P -2yc

7

yttrium sodium oxalate tetrahydrate

- C4 H8 Na O12 Y -

- C16 H32 Na4 O48 Y4 -

4

2

GS1049

Bataille, Thierry; Louër, Daniel

Yttrium sodium oxalate tetrahydrate, [Y(H~2~ O)]Na(C~2~O~4~)~2~^.^3H~2~O

Acta Crystallographica Section C

1,999

55

11

1760

1762

10.1107/S0108270199009683

0.71073

MoKα

0.115

0.042

null

0.096

null

1.011

null

has coordinates

Bataille, Thierry; Louër, Daniel Yttrium sodium oxalate tetrahydrate, [Y(H~2~ O)]Na(C~2~O~4~)~2~^.^3H~2~O Acta Crystallographica Section C 55(11) (1999) 1760-1762

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/2/00/91/2009130.cif $ #-------------------------------------------------------------------...

2,009,131

11.2968

0.0004

11.8091

0.0007

12.8835

0.001

90

null

90

null

90

null

1,718.72

0.18

293

2

293

2

null

6

P 21 21 21

P 2ac 2ab

19

7-Chloro-(S)-3-[1-(cyclohexyl)ethylamino]-4H-1,2,4-benzothiadiazine 1,1-dioxide

- C15 H20 Cl N3 O2 S -

- C60 H80 Cl4 N12 O8 S4 -

4

1

GS1050

Dupont, Léon; de Tullio, Pascal; Khelili, Smail; Somers, Fabian; Delarge, Jacques; Pirotte, Bernard

7-Chloro-(R)-3-[1-(cyclohexyl)ethylamino]-4H-1,2,4-benzothiadiazine 1,1-dioxide and 7-chloro-(S)-3-[1-(cyclohexyl)ethylamino]-4H-1,2,4-benzothiadiazine 1,1-dioxide

Acta Crystallographica Section C

1,999

55

11

1945

1947

10.1107/S0108270199010069

1.5418

CuKα

0.0533

0.0402

null

0.1118

null

1.035

null

has coordinates

Dupont, Léon; de Tullio, Pascal; Khelili, Smail; Somers, Fabian; Delarge, Jacques; Pirotte, Bernard 7-Chloro-(R)-3-[1-(cyclohexyl)ethylamino]-4H-1,2,4-benzothiadiazine 1,1-dioxide and 7-chloro-(S)-3-[1-(cyclohexyl)ethylamino]-4H-1,2,4-benzothiadiazine 1,1-dioxide Acta Crystallographica Secti...

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/2/00/91/2009131.cif $ #-------------------------------------------------------------------...

2,009,132

11.2963

0.0008

11.8026

0.0011

12.8831

0.0011

90

null

90

null

90

null

1,717.6

0.2

293

2

293

2

null

6

P 21 21 21

P 2ac 2ab

19

7-Chloro-(R)-3-[1-(cyclohexyl)ethylamino]-4H-1,2,4-benzothiadiazine 1,1-dioxide

- C15 H20 Cl N3 O2 S -

- C60 H80 Cl4 N12 O8 S4 -

4

1

GS1050

Dupont, Léon; de Tullio, Pascal; Khelili, Smail; Somers, Fabian; Delarge, Jacques; Pirotte, Bernard

7-Chloro-(R)-3-[1-(cyclohexyl)ethylamino]-4H-1,2,4-benzothiadiazine 1,1-dioxide and 7-chloro-(S)-3-[1-(cyclohexyl)ethylamino]-4H-1,2,4-benzothiadiazine 1,1-dioxide

Acta Crystallographica Section C

1,999

55

11

1945

1947

10.1107/S0108270199010069

1.5418

CuKα

0.0482

0.0354

null

0.098

null

0.988

null

has coordinates

Dupont, Léon; de Tullio, Pascal; Khelili, Smail; Somers, Fabian; Delarge, Jacques; Pirotte, Bernard 7-Chloro-(R)-3-[1-(cyclohexyl)ethylamino]-4H-1,2,4-benzothiadiazine 1,1-dioxide and 7-chloro-(S)-3-[1-(cyclohexyl)ethylamino]-4H-1,2,4-benzothiadiazine 1,1-dioxide Acta Crystallographica Secti...

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/2/00/91/2009132.cif $ #-------------------------------------------------------------------...

2,009,133

11.963

0.002

7.824

0.002

17.573

0.002

90

0.02

106.9

0.02

90

0.03

1,573.8

0.5

293

2

293

2

null

3

P 1 21 1

P 2yb

4

Salannin

- C34 H44 O9 -

- C68 H88 O18 -

2

1

HA1256

V. Kabaleeswaran; S. S. Rajan; Geetha Gopalakrishnan; T. R. Govindachari

Salannin and 3-deacetylsalannin

Acta Crystallographica Section C

1,999

55

11

1952

1955

10.1107/S010827019900880X

1.5418

CuKα

0.08

0.058

null

0.212

null

0.833

null

has coordinates,has Fobs

V. Kabaleeswaran; S. S. Rajan; Geetha Gopalakrishnan; T. R. Govindachari Salannin and 3-deacetylsalannin Acta Crystallographica Section C 55(11) (1999) 1952-1955

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/2/00/91/2009133.cif $ #-------------------------------------------------------------------...

4,321,872

12.665

0.002

13.013

0.002

11.894

0.002

111.8

0.01

95.48

0.01

94.78

0.02

1,796.7

0.5

294

2

294

2

null

7

P -1

-P 1

2

- C59 H68 B2 Cl8 Mo2 N14 O6 -

- C59 H66 B2 Cl8 Mo2 N14 O6 -

1

0.5

Ferida S. McQuillan; Hongli Chen; Thomas A. Hamor; Christopher J. Jones; Helen A. Jones; R. Peter Sidebotham

Stereoselectivity in the Formation of Metallomacrocycles from [Mo(NO){HB(3,5-Me2C3HN2)3}I2] and Ditopic Proligands: The X-ray Crystal Structures of anti-[[Mo(NO){HB(3,5-Me2C3HN2)3}{1,4-(OCH2)2C6H4}]2.4CHCl3, syn-[Mo(NO){HB(3,5-Me2C3HN2)3}{1,4-(OCH2)2C6H4}]2.2CH2Cl2, and anti-[Mo(NO){HB(3,5-Me2C3HN2)3}{(4-OC6H4)2CH2}]2....

Inorganic Chemistry

1,999

38

1555

1562

10.1021/ic981010s

0.7107

MoKa

0.0728

0.0648

null

0.1979

0.1887

null

1.011

1.044

null

has coordinates

Ferida S. McQuillan; Hongli Chen; Thomas A. Hamor; Christopher J. Jones; Helen A. Jones; R. Peter Sidebotham Stereoselectivity in the Formation of Metallomacrocycles from [Mo(NO){HB(3,5-Me2C3HN2)3}I2] and Ditopic Proligands: The X-ray Crystal Structures of anti-[[Mo(NO){HB(3,5-Me2C3HN2)3}{1,4-(OCH2)2C6H4}]2.4CHCl3, syn...

179,321

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:18:08 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179321 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/18/4321872.cif $ #-------------------------------------------------------------------...

2,009,134

7.236

0.003

12.764

0.004

31.892

0.004

90

null

90

null

90

null

2,945.6

1.6

293

2

293

2

null

3

P 21 21 21

P 2ac 2ab

19

3-deacetylsalannin

- C32 H42 O8 -

- C128 H168 O32 -

4

1

HA1256

V. Kabaleeswaran; S. S. Rajan; Geetha Gopalakrishnan; T. R. Govindachari

Salannin and 3-deacetylsalannin

Acta Crystallographica Section C

1,999

55

11

1952

1955

10.1107/S010827019900880X

1.5418

CuKα

0.05

0.044

null

0.134

null

1.079

null

has coordinates

V. Kabaleeswaran; S. S. Rajan; Geetha Gopalakrishnan; T. R. Govindachari Salannin and 3-deacetylsalannin Acta Crystallographica Section C 55(11) (1999) 1952-1955

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/2/00/91/2009134.cif $ #-------------------------------------------------------------------...

2,009,135

29.0676

0.0002

8.8013

0.0001

18.447

0.0001

90

null

125.978

0.001

90

null

3,819.1

0.07

293

2

293

2

null

6

C 1 2/c 1

-C 2yc

15

1,1'-Diacetylferrocene bis(thiosemicarbazone) monohydrate

- C16 H22 Fe N6 O S2 -

- C128 H176 Fe8 N48 O8 S16 -

8

1

HA1259

Wen Xiao; Zhong-Lin Lu; Rui-Ying Li; Cheng-Xong Su; Bei-Sheng Kang; S. Shanmuga Sundara Raj; Hoong-Kun Fun

1,1'-Diacetylferrocene bis(thiosemicarbazone) monohydrate

Acta Crystallographica Section C

1,999

55

11

1762

1764

10.1107/S0108270199008811

0.71073

MoKα

0.056

0.038

null

0.092

null

1.08

null

has coordinates

Wen Xiao; Zhong-Lin Lu; Rui-Ying Li; Cheng-Xong Su; Bei-Sheng Kang; S. Shanmuga Sundara Raj; Hoong-Kun Fun 1,1'-Diacetylferrocene bis(thiosemicarbazone) monohydrate Acta Crystallographica Section C 55(11) (1999) 1762-1764

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/2/00/91/2009135.cif $ #-------------------------------------------------------------------...

2,009,136

11.611

0.005

10.297

0.006

13.165

0.003

90

null

115.58

0.03

90

null

1,419.7

1.1

293

2

293

2

null

6

P 1 21/n 1

-P 2yn

14

- C13 H11 Cl N4 Ni S -

- C52 H44 Cl4 N16 Ni4 S4 -

4

1

HA1262

Liu, Ze-Hua; Liu, Yong-Jiang; Duan, Chun-Ying; You, Xiao-Zeng

(2-Benzoylpyridine-N thiosemicarbazonato-N^1^,S)chloronickel(II)

Acta Crystallographica Section C

1,999

55

11

1804

1806

10.1107/S0108270199008823

0.71073

MoKα

0.065

0.038

null

0.091

0.08

null

1.024

1.076

null

has coordinates,has Fobs

Liu, Ze-Hua; Liu, Yong-Jiang; Duan, Chun-Ying; You, Xiao-Zeng (2-Benzoylpyridine-N thiosemicarbazonato-N^1^,S)chloronickel(II) Acta Crystallographica Section C 55(11) (1999) 1804-1806

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/2/00/91/2009136.cif $ #-------------------------------------------------------------------...

2,009,137

9.919

0.001

12.898

0.002

14.045

0.002

90

null

101.983

0.005

90

null

1,757.7

0.4

220

2

220

2

null

4

P 1 21/n 1

-P 2yn

14

1,10,13,18-tetraazatetracyclo[8.6.6.0^3,8^]docasa-3,5,7-triene-11,17-dione monohydrate

- C18 H28 N4 O3 -

- C72 H112 N16 O12 -

4

1

HA1263

Hubin, Timothy J.; Tyryshkin, Nickolay; Alcock, Nathaniel W.; Busch, Daryle H.

An o-xylyl cross-bridged 5,12-dioxocyclam

Acta Crystallographica Section C

1,999

55

11

1888

1889

10.1107/S0108270199008835

0.71073

MoKα

0.071

0.047

null

0.124

0.137

null

1.061

null

has coordinates,has Fobs

Hubin, Timothy J.; Tyryshkin, Nickolay; Alcock, Nathaniel W.; Busch, Daryle H. An o-xylyl cross-bridged 5,12-dioxocyclam Acta Crystallographica Section C 55(11) (1999) 1888-1889

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/2/00/91/2009137.cif $ #-------------------------------------------------------------------...

2,009,138

10.7311

0.0007

23.123

0.002

11.0657

0.0008

90

null

112.043

0.004

90

null

2,545.1

0.3

300

2

300

2

null

3

P 1 21/c 1

-P 2ybc

14

14,14-Dimethyl-12-oxa-tricyclo[9.2.1.03,8]tetradeca- 3,5,7-trien-13-one

- C15 H18 O2 -

- C15 H13.5 O2 -

- C120 H108 O16 -

8

2

JA1001

Zimmer, Reinhold; Zahn, Gernot; Khan, Faiz Ahmed; Reissig, Hans-Ulrich

Configurational analysis of 14,14-dimethyl-12-oxatricyclo[9.2.1.0^3,8^]tetradeca-3,5,7-trien-13-one

Acta Crystallographica Section C

1,999

55

11

1941

1943

10.1107/S0108270199009014

0.71073

MoKα

0.0943

0.0514

null

0.1185

null

1.138

null

has coordinates,has Fobs

Zimmer, Reinhold; Zahn, Gernot; Khan, Faiz Ahmed; Reissig, Hans-Ulrich Configurational analysis of 14,14-dimethyl-12-oxatricyclo[9.2.1.0^3,8^]tetradeca-3,5,7-trien-13-one Acta Crystallographica Section C 55(11) (1999) 1941-1943

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/2/00/91/2009138.cif $ #-------------------------------------------------------------------...

2,009,139

8.906

0.001

18.295

0.002

21.855

0.003

90

null

90

null

90

null

3,561

0.7

291

2

18

2

null

6

P b c a

-P 2ac 2ab

61

phenanthroline–tetraaqua–zinc(II) sulfate dihydrate

- C12 H20 N2 O10 S Zn -

- C96 H160 N16 O80 S8 Zn8 -

8

1

JA1003

Zhang, Cungen; Yu, Kaibei; Wu, Dan; Zhao, Chengxue

Tetraaqua(1,10-phenanthroline)zinc(II) sulfate dihydrate

Acta Crystallographica Section C

1,999

55

11

1815

1817

10.1107/S0108270199009294

0.71073

MoKα

0.073

0.035

null

0.077

null

0.07

null

0.841

null

1.008

null

has coordinates

Zhang, Cungen; Yu, Kaibei; Wu, Dan; Zhao, Chengxue Tetraaqua(1,10-phenanthroline)zinc(II) sulfate dihydrate Acta Crystallographica Section C 55(11) (1999) 1815-1817

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2,009,140

11.101

0.002

8.404

0.002

12.836

0.003

90

null

92.68

0.03

90

null

1,196.2

0.5

293

2

293

2

null

4

P 1 21/c 1

-P 2ybc

14

- C14 H14 N2 O2 -

- C56 H56 N8 O8 -

4

1

JZ1351

Wolska, Irena; Herold, Franciszek

4-Phenyl-2,3,5,6,7,8-hexahydro-1H-pyrido[1,2-c]pyrimidine-1,3-dione

Acta Crystallographica Section C

1,999

55

11

1950

1952

10.1107/S0108270199009026

1.54178

CuKα

0.0473

0.0419

null

0.1397

null

0.1194

null

1.049

null

1.102

null

has coordinates,has disorder

Wolska, Irena; Herold, Franciszek 4-Phenyl-2,3,5,6,7,8-hexahydro-1H-pyrido[1,2-c]pyrimidine-1,3-dione Acta Crystallographica Section C 55(11) (1999) 1950-1952

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2,009,141

11.015

0.002

7.678

0.003

30.045

0.004

90

null

99.02

0.01

90

null

2,509.6

1.1

293

2

293

2

null

2

P 1 21 1

P 2yb

4

- C30 H50 -

- C120 H200 -

4

2

JZ1362

González-Platas, Javier; Ruiz-Pérez, Catalina; González, Antonio G.; Hernández Silva, Margarita; García, Candelaria; Alfayate, M. Carmen; Bermejo, Jaime

Filic-3-ene, a pentacyclic triterpene from Davallia canariensis

Acta Crystallographica Section C

1,999

55

11

1835

1837

10.1107/S0108270199009762

0.71073

MoKα

0.1598

0.0598

null

0.1971

null

0.884

null

has coordinates

González-Platas, Javier; Ruiz-Pérez, Catalina; González, Antonio G.; Hernández Silva, Margarita; García, Candelaria; Alfayate, M. Carmen; Bermejo, Jaime Filic-3-ene, a pentacyclic triterpene from Davallia canariensis Acta Crystallographica Section C 55(11) (1999) 1835-1837

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4,321,871

16.576

0.003

20.844

0.002

17.024

0.002

90

null

94.87

0.02

90

null

5,860.7

1.4

294

2

294

2

null

7

P 1 21/a 1

-P 2yab

14

- C48 H64 B2 Cl4 Mo2 N14 O6 -

- C192 H256 B8 Cl16 Mo8 N56 O24 -

4

1

Ferida S. McQuillan; Hongli Chen; Thomas A. Hamor; Christopher J. Jones; Helen A. Jones; R. Peter Sidebotham

Stereoselectivity in the Formation of Metallomacrocycles from [Mo(NO){HB(3,5-Me2C3HN2)3}I2] and Ditopic Proligands: The X-ray Crystal Structures of anti-[[Mo(NO){HB(3,5-Me2C3HN2)3}{1,4-(OCH2)2C6H4}]2.4CHCl3, syn-[Mo(NO){HB(3,5-Me2C3HN2)3}{1,4-(OCH2)2C6H4}]2.2CH2Cl2, and anti-[Mo(NO){HB(3,5-Me2C3HN2)3}{(4-OC6H4)2CH2}]2....

Inorganic Chemistry

1,999

38

1555

1562

10.1021/ic981010s

0.7107

MoKa

0.1401

0.0789

null

0.1115

0.0925

null

1.073

1.059

null

has coordinates

Ferida S. McQuillan; Hongli Chen; Thomas A. Hamor; Christopher J. Jones; Helen A. Jones; R. Peter Sidebotham Stereoselectivity in the Formation of Metallomacrocycles from [Mo(NO){HB(3,5-Me2C3HN2)3}I2] and Ditopic Proligands: The X-ray Crystal Structures of anti-[[Mo(NO){HB(3,5-Me2C3HN2)3}{1,4-(OCH2)2C6H4}]2.4CHCl3, syn...

301,838

2025-08-20

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2,009,142

8.762

0.001

9.596

0.002

16.363

0.003

90

null

90

null

90

null

1,375.8

0.4

293

2

293

2

null

3

P 21 21 21

P 2ac 2ab

19

3-hydroxy-3-hydroxymethyl-9-methyl-6-methyleneperhydroazuleno[4,5-b]furan- 2,8-dione

- C15 H20 O5 -

- C60 H80 O20 -

4

1

JZ1363

González-Platas, Javier; Ruiz-Pérez, Catalina; González, Antonio G.; Bermejo, Jaime; Medjroubi, Kamel

4β,15-Dihydro-3-dehydrosolstitialin A

Acta Crystallographica Section C

1,999

55

11

1837

1839

10.1107/S010827019900918X

0.71073

MoKα

0.045

0.034

null

0.098

null

1.031

null

has coordinates

González-Platas, Javier; Ruiz-Pérez, Catalina; González, Antonio G.; Bermejo, Jaime; Medjroubi, Kamel 4β,15-Dihydro-3-dehydrosolstitialin A Acta Crystallographica Section C 55(11) (1999) 1837-1839

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2,009,143

9.377

0.002

9.94

0.001

15.344

0.002

93.06

0.02

98.17

0.03

98.23

0.02

1,397.1

0.4

293

2

293

2

null

5

P -1

-P 1

2

Diacetato-bis(3-amino-5-phenylpyrazole)zinc(II)

- C24 H32 N6 O6 Zn -

- C48 H64 N12 O12 Zn2 -

2

1

KA1325

Jaćimović, Zeljko K.; Tomić, Zoran D.; Bogdanović, Goran A.; Ivegeš, Erika Z.; Leovac, Vukadin M.

Transition metal complexes with pyrazole-derived ligands. X. [Zn(CH~3~COO)~2~L~2~]^.^2MeOH (L = 3-amino-5-phenylpyrazole)

Acta Crystallographica Section C

1,999

55

11

1769

1771

10.1107/S0108270199010331

0.71073

MoKα

0.0845

0.0506

null

0.1643

null

0.1459

null

1.027

null

1.131

null

has coordinates

Jaćimović, Zeljko K.; Tomić, Zoran D.; Bogdanović, Goran A.; Ivegeš, Erika Z.; Leovac, Vukadin M. Transition metal complexes with pyrazole-derived ligands. X. [Zn(CH~3~COO)~2~L~2~]^.^2MeOH (L = 3-amino-5-phenylpyrazole) Acta Crystallographica Section C 55(11) (1999) 1769-1771

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