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

2,005,193

9.977

0.002

14.009

0.003

16.462

0.003

90

null

91.21

0.03

90

null

2,300.3

0.8

103

2

103

2

null

7

P 1 21/n 1

-P 2yn

14

Bromobis(diethyldithiocarbamato)-4-methoxyphenyltellurium(IV)

- C17 H27 Br N2 O S4 Te -

- C68 H108 Br4 N8 O4 S16 Te4 -

4

1

AB1340

Husebye, S.; Engebretsen, T.; Rudd, M. D.; Lindeman, S. V.

Bromobis(diethyldithiocarbamato)(4-methoxyphenyl)tellurium(IV)

Acta Crystallographica Section C

1,996

52

8

2022

2024

10.1107/S010827019600234X

0.71069

MoKα

0.0333

0.0278

null

0.088

0.0748

null

1.028

1.05

null

has coordinates

Husebye, S.; Engebretsen, T.; Rudd, M. D.; Lindeman, S. V. Bromobis(diethyldithiocarbamato)(4-methoxyphenyl)tellurium(IV) Acta Crystallographica Section C 52(8) (1996) 2022-2024

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/2/00/51/2005193.cif $ #-------------------------------------------------------------------...

2,005,194

5.251

0.004

7.782

0.004

7.592

0.005

90

null

101.46

0.06

90

null

304

0.3

295

null

295

null

4

P 1 21 1

P 2yb

4

sodium hydrogen L-tartrate

- C4 H5 Na O6 -

- C8 H10 Na2 O12 -

2

1

AB1342

Matsumoto, S.; Kashino, S.

Sodium Hydrogen L-Tartrate

Acta Crystallographica Section C

1,996

52

8

1948

1950

10.1107/S0108270196005288

0.71073

MoKα

null

0.026

null

0.033

null

2.18

null

has coordinates,has disorder

Matsumoto, S.; Kashino, S. Sodium Hydrogen L-Tartrate Acta Crystallographica Section C 52(8) (1996) 1948-1950

248,647

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2020-03-03 12:20:07 +0200 (Tue, 03 Mar 2020) $ #$Revision: 248647 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/51/2005194.cif $ #-------------------------------------------------------------------...

2,005,195

8.959

0.003

13.677

0.008

9.777

0.003

90

null

108.78

0.02

90

null

1,134.2

0.9

295

null

295

null

6

P 1 21/n 1

-P 2yn

14

- C4 H12 Br2 O2 Pt S2 -

- C4 Br2 O2 Pt S2 -

- C16 Br8 O8 Pt4 S8 -

4

1

AB1349

Lövqvist, K.

cis-Dibromobis(dimethyl sulfoxide-S)platinum(II) and trans-Bis(dimethyl sulfoxide-S)diiodoplatinum(II)

Acta Crystallographica Section C

1,996

52

8

1921

1924

10.1107/S0108270196003824

0.7107

MoKα

null

0.0324

null

0.0413

null

1.713

null

has coordinates

Lövqvist, K. cis-Dibromobis(dimethyl sulfoxide-S)platinum(II) and trans-Bis(dimethyl sulfoxide-S)diiodoplatinum(II) Acta Crystallographica Section C 52(8) (1996) 1921-1924

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/2/00/51/2005195.cif $ #-------------------------------------------------------------------...

4,322,202

16.6081

0.0002

18.636

0.0003

19.391

0.0001

90

null

104.029

0.001

90

null

5,822.67

0.12

173

2

173

2

null

J. Thorman / Prof. K. Woo - ISU

4

P 1 21/n 1

-P 2yn

14

98063

- C70.5 H69 Hf N5 -

- C282 H276 Hf4 N20 -

4

1

Joseph L. Thorman; Ilia A. Guzei; Victor G. Young; L. Keith Woo

Synthesis, Structure, and Reactivity of Zirconium and Hafnium Imido Metalloporphyrins

Inorganic Chemistry

1,999

38

3814

3824

10.1021/ic981399j

0.71073

MoKα

0.0343

0.0263

null

0.0602

0.0573

null

1.055

1.076

null

has coordinates,has disorder

Joseph L. Thorman; Ilia A. Guzei; Victor G. Young; L. Keith Woo Synthesis, Structure, and Reactivity of Zirconium and Hafnium Imido Metalloporphyrins Inorganic Chemistry 38 (1999) 3814-3824

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/4/32/22/4322202.cif $ #-------------------------------------------------------------------...

2,005,196

5.2789

0.0009

7.089

0.002

8.709

0.003

110.42

0.02

94.5

0.02

93.48

0.02

303.13

0.15

295

null

295

null

6

P -1

-P 1

2

- C4 H12 I2 O2 Pt S2 -

- C4 I2 O2 Pt S2 -

1

0.5

AB1349

Lövqvist, K.

cis-Dibromobis(dimethyl sulfoxide-S)platinum(II) and trans-Bis(dimethyl sulfoxide-S)diiodoplatinum(II)

Acta Crystallographica Section C

1,996

52

8

1921

1924

10.1107/S0108270196003824

0.7107

MoKα

null

0.0471

null

0.0568

null

2.67

null

has coordinates

Lövqvist, K. cis-Dibromobis(dimethyl sulfoxide-S)platinum(II) and trans-Bis(dimethyl sulfoxide-S)diiodoplatinum(II) Acta Crystallographica Section C 52(8) (1996) 1921-1924

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/2/00/51/2005196.cif $ #-------------------------------------------------------------------...

2,005,197

10.068

0.001

21.731

0.002

11.293

0.001

90

null

98.26

0.01

90

null

2,445.1

0.4

293

2

293

2

null

7

P 1 21/n 1

-P 2yn

14

- C26 H18 Br2 Cl Fe N2 O2 -

- C104 H72 Br8 Cl4 Fe4 N8 O8 -

4

1

AB1355

Elerman, Y.; Paulus, H.

A Five-Coordinate Bis(p-bromophenylsalicylaldimino)chloroiron(III) Complex

Acta Crystallographica Section C

1,996

52

8

1971

1973

10.1107/S0108270196005422

0.71069

MoKα

0.049

0.035

null

0.08

0.075

null

1.049

1.09

null

has coordinates

Elerman, Y.; Paulus, H. A Five-Coordinate Bis(p-bromophenylsalicylaldimino)chloroiron(III) Complex Acta Crystallographica Section C 52(8) (1996) 1971-1973

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/2/00/51/2005197.cif $ #-------------------------------------------------------------------...

2,005,198

6.177

0.0007

9.747

0.001

23.236

0.002

86.94

0.01

89.599

0.009

77.619

0.009

1,364.5

0.2

294

1

294

1

null

5

P -1

-P 1

2

N,N'-Bis[trans-2-phenyl-5-triphenylstannylmethoxymethyl-1,3-dioxan-5-yl]- ethanediamide.

- C62 H60 N2 O8 Sn2 -

1

0.5

AB1356

Ross, J.-N.; Wardell, J. L.; Low, J. N.; Ferguson, G.

N,N'-Bis[trans-2-phenyl-5-(triphenylstannylmethoxymethyl)-1,3-dioxan-5-yl]ethanediamide

Acta Crystallographica Section C

1,996

52

8

1961

1963

10.1107/S010827019600203X

0.7107

MoKα

0.0384

0.0268

null

0.0691

0.0657

null

1.049

1.091

null

has coordinates

Ross, J.-N.; Wardell, J. L.; Low, J. N.; Ferguson, G. N,N'-Bis[trans-2-phenyl-5-(triphenylstannylmethoxymethyl)-1,3-dioxan-5-yl]ethanediamide Acta Crystallographica Section C 52(8) (1996) 1961-1963

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/2/00/51/2005198.cif $ #-------------------------------------------------------------------...

2,005,199

9.9456

0.0009

21.011

0.001

14.179

0.001

90

null

90

null

90

null

2,962.9

0.4

122

1

122

1

null

4

P b c a

-P 2ac 2ab

61

2-cyano-3-phenylazo-2-butenal carbazidoethylester-imin

- C14 H15 N5 O2 -

- C112 H120 N40 O16 -

8

1

AB1357

Flensburg, C.; Jensen, J.; Larsen, S.; Dehaen, W.

Ethyl 3-(2-Cyano-3-phenylazo-2-butenylidene)carbazoate at 122K

Acta Crystallographica Section C

1,996

52

8

2093

2095

10.1107/S0108270196003095

1.54184

CuKα

0.0501

0.035

null

0.0829

0.0763

null

1.014

1.051

null

has coordinates

Flensburg, C.; Jensen, J.; Larsen, S.; Dehaen, W. Ethyl 3-(2-Cyano-3-phenylazo-2-butenylidene)carbazoate at 122K Acta Crystallographica Section C 52(8) (1996) 2093-2095

301,791

2025-08-18

23:15:26

#------------------------------------------------------------------------------ #$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/2/00/51/2005199.cif $ #-------------------------------------------------------------------...

2,005,200

8.783

0.001

11.679

0.001

13.194

0.002

81.14

0.01

71.85

0.01

85.672

0.008

1,270.2

0.3

294

1

294

1

null

4

P -1

-P 1

2

Furan-2,5-diylbis(diphenylmethanol)-dimethylformamide (2/1)

- C31.5 H27.5 N0.5 O3.5 -

- C63 H55 N O7 -

2

1

AB1360

Ferguson, G.; Glidewell, C.; Zakaria, C. M.

Host‒Guest Complexes of Furan-2,5-diylbis(diphenylmethanol): Structures of the 2:1 Adducts with Dimethylformamide, Dimethyl Sulfoxide and Pyridine

Acta Crystallographica Section C

1,996

52

8

2009

2014

10.1107/S0108270196003101

0.7107

MolybdenumKα

0.1348

0.0585

null

0.1971

0.1695

null

0.876

1.148

null

has coordinates,has disorder

Ferguson, G.; Glidewell, C.; Zakaria, C. M. Host‒Guest Complexes of Furan-2,5-diylbis(diphenylmethanol): Structures of the 2:1 Adducts with Dimethylformamide, Dimethyl Sulfoxide and Pyridine Acta Crystallographica Section C 52(8) (1996) 2009-2014

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/2/00/52/2005200.cif $ #-------------------------------------------------------------------...

4,322,201

16.6358

0.0002

18.7583

0.0001

19.4375

0.0002

90

null

103.97

0.001

90

null

5,886.24

0.1

173

2

173

2

null

J. Thorman / Prof. K. Woo - ISU

4

P 1 21/n 1

-P 2yn

14

98061

- C70.5 H69 N5 Zr -

- C282 H276 N20 Zr4 -

4

1

Joseph L. Thorman; Ilia A. Guzei; Victor G. Young; L. Keith Woo

Synthesis, Structure, and Reactivity of Zirconium and Hafnium Imido Metalloporphyrins

Inorganic Chemistry

1,999

38

3814

3824

10.1021/ic981399j

0.71073

MoKα

0.062

0.0403

null

0.1093

0.0984

null

0.977

1.029

null

has coordinates,has disorder

Joseph L. Thorman; Ilia A. Guzei; Victor G. Young; L. Keith Woo Synthesis, Structure, and Reactivity of Zirconium and Hafnium Imido Metalloporphyrins Inorganic Chemistry 38 (1999) 3814-3824

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/4/32/22/4322201.cif $ #-------------------------------------------------------------------...

2,005,201

8.802

0.003

11.707

0.003

13.162

0.004

80.17

0.01

72.07

0.01

84.19

0.01

1,269.7

0.7

294

1

294

1

null

4

P -1

-P 1

2

Furan-2,5-diylbis(diphenylmethanol)-dimethylfsulfoxide (2/1)

- C31 H27 O3.5 S0.5 -

- C62 H54 O7 S -

2

1

AB1360

Ferguson, G.; Glidewell, C.; Zakaria, C. M.

Host‒Guest Complexes of Furan-2,5-diylbis(diphenylmethanol): Structures of the 2:1 Adducts with Dimethylformamide, Dimethyl Sulfoxide and Pyridine

Acta Crystallographica Section C

1,996

52

8

2009

2014

10.1107/S0108270196003101

0.7107

MolybdenumKα

0.0881

0.0426

null

0.1093

0.0982

null

0.999

1.203

null

has coordinates,has disorder

Ferguson, G.; Glidewell, C.; Zakaria, C. M. Host‒Guest Complexes of Furan-2,5-diylbis(diphenylmethanol): Structures of the 2:1 Adducts with Dimethylformamide, Dimethyl Sulfoxide and Pyridine Acta Crystallographica Section C 52(8) (1996) 2009-2014

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/2/00/52/2005201.cif $ #-------------------------------------------------------------------...

2,005,202

8.979

0.001

11.814

0.003

13.329

0.003

96.55

0.02

109.47

0.02

102.4

0.02

1,275.2

0.5

294

1

294

1

null

4

P -1

-P 1

2

Furan-2,5-diylbis(diphenylmethanol)-pyridine (2/1)

- C32.5 H26.5 N0.5 O3 -

- C65 H53 N O6 -

2

1

AB1360

Ferguson, G.; Glidewell, C.; Zakaria, C. M.

Host‒Guest Complexes of Furan-2,5-diylbis(diphenylmethanol): Structures of the 2:1 Adducts with Dimethylformamide, Dimethyl Sulfoxide and Pyridine

Acta Crystallographica Section C

1,996

52

8

2009

2014

10.1107/S0108270196003101

0.7107

MolybdenumKα

0.1521

0.0412

null

0.1278

0.1059

null

0.879

1.219

null

has coordinates,has disorder

Ferguson, G.; Glidewell, C.; Zakaria, C. M. Host‒Guest Complexes of Furan-2,5-diylbis(diphenylmethanol): Structures of the 2:1 Adducts with Dimethylformamide, Dimethyl Sulfoxide and Pyridine Acta Crystallographica Section C 52(8) (1996) 2009-2014

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/2/00/52/2005202.cif $ #-------------------------------------------------------------------...

2,005,203

9.685

0.0006

6.798

0.0007

15.183

0.001

90

null

90

null

90

null

999.63

0.14

294

1

294

1

null

5

P n m a

-P 2ac 2n

62

6-acetylamino-4-methoxy-2-methylthiopyrimidine

- C8 H11 N3 O2 S -

- C8 H10 N3 O2 S -

- C32 H40 N12 O8 S4 -

4

0.5

AB1363

Low, J. N.; Ferguson, G.; Cobo, J.; Melguizo, M.; Nogueras, M.; Sanchez, A.

6-Acetamido-4-methoxy-2-methylthiopyrimidine

Acta Crystallographica Section C

1,996

52

8

2035

2037

10.1107/S0108270196003423

0.7107

MoKα

0.0852

0.0367

null

0.1088

0.0984

null

0.996

1.195

null

has coordinates,has disorder

Low, J. N.; Ferguson, G.; Cobo, J.; Melguizo, M.; Nogueras, M.; Sanchez, A. 6-Acetamido-4-methoxy-2-methylthiopyrimidine Acta Crystallographica Section C 52(8) (1996) 2035-2037

200,174

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-09-05 13:21:07 +0300 (Tue, 05 Sep 2017) $ #$Revision: 200174 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/52/2005203.cif $ #-------------------------------------------------------------------...

2,005,204

8.536

0.001

11.805

0.002

14.672

0.002

91.43

0.01

105.97

0.01

93.79

0.01

1,416.9

0.4

294

1

294

1

null

3

P -1

-P 1

2

5,17-Dicarbethoxy-25,26,27,28-tetrahydroxycalix[4]arene

5,17-diethyloxycarbonylpentacyclo[19.3.1.1^3,7^.1^9,13^.1^15,19^]octacosa- 1(25),3,5,7(18),9,11,13(27),15,17,19(26),21,23-dodecaene-25,26,27,28-tetraol

- C34 H32 O8 -

- C68 H64 O16 -

2

1

AB1366

Böhmer, V.; Ferguson, G.; Mogck, O.

5,17-Diethoxycarbonyl-25,26,27,28-tetrahydroxycalix[4]arene

Acta Crystallographica Section C

1,996

52

8

2000

2002

10.1107/S0108270196003496

0.7107

MolybdenumKα

0.0861

0.0464

null

0.1385

0.1267

null

1.068

1.28

null

has coordinates,has disorder

Böhmer, V.; Ferguson, G.; Mogck, O. 5,17-Diethoxycarbonyl-25,26,27,28-tetrahydroxycalix[4]arene Acta Crystallographica Section C 52(8) (1996) 2000-2002

301,791

2025-08-18

23:15:26

#------------------------------------------------------------------------------ #$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/2/00/52/2005204.cif $ #-------------------------------------------------------------------...

4,322,200

14.194

0.004

11.959

0.004

15.082

0.006

90

null

114.9

0.02

90

null

2,322.1

1.4

298

null

298

null

6

P 1 21/c 1

-P 2ybc

14

- C18 H23 Cl2 N5 O9 Zn -

- C18 H13 Cl2 N5 O9 Zn -

- C72 H52 Cl8 N20 O36 Zn4 -

4

1

Carla Bazzicalupi; Andrea Bencini; Antonio Bianchi; Claudia Giorgi; Vieri Fusi; Barbara Valtancoli; M. Alexandra Bernardo; Fernando Pina

Effect of Protonation and Zn(II) Coordination on the Fluorescence Emission of a Phenanthroline-Containing Macrocycle. An Unusual Case of "Nonemissive" Zn(II) Complex

Inorganic Chemistry

1,999

38

3806

3813

10.1021/ic981374k

0.71069

MoKα

0.1552

0.0836

null

0.2468

0.1961

null

1.023

1.119

null

has coordinates

Carla Bazzicalupi; Andrea Bencini; Antonio Bianchi; Claudia Giorgi; Vieri Fusi; Barbara Valtancoli; M. Alexandra Bernardo; Fernando Pina Effect of Protonation and Zn(II) Coordination on the Fluorescence Emission of a Phenanthroline-Containing Macrocycle. An Unusual Case of "Nonemissive" Zn(II) Complex Inorganic Chemist...

179,325

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:23:19 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179325 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/22/4322200.cif $ #-------------------------------------------------------------------...

2,005,205

20.733

0.002

35.97

0.003

14.66

0.001

90

null

90

null

90

null

10,932.9

1.6

160

2

160

2

null

4

F d d 2

F 2 -2d

43

- C28 H38 B2 O6 -

- C448 H608 B32 O96 -

16

1

AB1368

Clegg, W.; Scott, A. J.; Lesley, G.; Marder, T. B.; Norman, N. C.

The Product of Catalysed Diboration of Bis(4-methoxyphenyl)ethyne by Bis(pinacolato-O,O')diboron

Acta Crystallographica Section C

1,996

52

8

1989

1991

10.1107/S0108270196003836

0.71073

MoKα

0.0353

0.0304

null

0.0771

0.0726

null

1.051

1.036

null

has coordinates

Clegg, W.; Scott, A. J.; Lesley, G.; Marder, T. B.; Norman, N. C. The Product of Catalysed Diboration of Bis(4-methoxyphenyl)ethyne by Bis(pinacolato-O,O')diboron Acta Crystallographica Section C 52(8) (1996) 1989-1991

301,791

2025-08-18

23:15:26

#------------------------------------------------------------------------------ #$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/2/00/52/2005205.cif $ #-------------------------------------------------------------------...

2,005,206

12.556

0.006

14.408

0.007

14.996

0.008

90

null

91.56

0.02

90

null

2,712

2

298

null

298

null

6

P 1 21/n 1

-P 2yn

14

[(N-2,6-Diisopropylphenyl-N-trimethylsilyl)amido-N](pyridine-N)- (Diethyl ether-O)lithium

- C24 H41 Li N2 O Si -

- C96 H164 Li4 N8 O4 Si4 -

4

1

AB1370

Blake, A. J.; Mountford, P.; Nikonov, G. I.

(Diethyl ether-O)[N-(2,6-diisopropylphenyl)-N-(trimethylsilyl)amido-N](pyridine-N)lithium

Acta Crystallographica Section C

1,996

52

8

1911

1913

10.1107/S010827019600409X

0.71073

MoKα

null

0.0749

null

0.0655

null

1.0673

null

has coordinates

Blake, A. J.; Mountford, P.; Nikonov, G. I. (Diethyl ether-O)[N-(2,6-diisopropylphenyl)-N-(trimethylsilyl)amido-N](pyridine-N)lithium Acta Crystallographica Section C 52(8) (1996) 1911-1913

301,791

2025-08-18

23:15:26

#------------------------------------------------------------------------------ #$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/2/00/52/2005206.cif $ #-------------------------------------------------------------------...

2,005,207

10.0809

0.0009

12.1757

0.0009

19.115

0.001

90

null

91.443

0.009

90

null

2,345.5

0.3

294

1

294

1

null

3

P 1 21/n 1

-P 2yn

14

Tetrabenzylgermanium

- C28 H28 Ge -

- C112 H112 Ge4 -

4

1

AB1377

Ferguson, G.; Glidewell, C.

Tetrabenzylgermanium

Acta Crystallographica Section C

1,996

52

8

1889

1891

10.1107/S0108270196004878

0.7107

MoKα

0.1731

0.0564

null

0.1171

0.0967

null

0.828

1.12

null

has coordinates

Ferguson, G.; Glidewell, C. Tetrabenzylgermanium Acta Crystallographica Section C 52(8) (1996) 1889-1891

301,791

2025-08-18

23:15:26

#------------------------------------------------------------------------------ #$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/2/00/52/2005207.cif $ #-------------------------------------------------------------------...

2,005,208

7.571

0.001

7.161

0.0007

16.535

0.002

90

null

91.81

0.01

90

null

896.01

0.18

111

2

111

2

null

4

P 1 21/n 1

-P 2yn

14

2-Ethyl-3-(3-pyridyl)isoxazolin-5-one

- C10 H10 N2 O2 -

- C40 H40 N8 O8 -

4

1

AB1380

Frydenvang, K.; Brehm, L.; di Biase, R.; Falch, E.

2-Ethyl-3-(3-pyridyl)-5(2H)-isoxazolone

Acta Crystallographica Section C

1,996

52

8

2102

2105

10.1107/S0108270196006142

1.54184

CuKα

0.0454

0.0371

null

0.1065

0.0971

null

1.071

1.101

null

has coordinates

Frydenvang, K.; Brehm, L.; di Biase, R.; Falch, E. 2-Ethyl-3-(3-pyridyl)-5(2H)-isoxazolone Acta Crystallographica Section C 52(8) (1996) 2102-2105

301,791

2025-08-18

23:15:26

#------------------------------------------------------------------------------ #$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/2/00/52/2005208.cif $ #-------------------------------------------------------------------...

2,005,209

9.5156

0.0009

22.206

0.002

11.619

0.001

90

null

108.059

0.002

90

null

2,334.2

0.4

160

2

160

2

null

4

P 1 21/c 1

-P 2ybc

14

(Z)-1,2-bis(benzo-1',3',2'-dioxaborolan-2'-yl)-1,2-bis(4'-methylphenyl)ethene

- C28 H22 B2 O4 -

- C112 H88 B8 O16 -

4

1

AB1383

Clegg, W.; Scott, A. J.; Lesley, G.; Marder, T. B.; Norman, N. C.

The Products of Catalysed Diboration of Bis(p-tolyl)ethyne and of 4-Cyanophenylethyne by Bis(catecholato-O,O')diboron

Acta Crystallographica Section C

1,996

52

8

1991

1995

10.1107/S0108270196006622

0.71073

MoKα

0.0487

0.0385

null

0.0999

0.0902

null

1.07

1.062

null

has coordinates

Clegg, W.; Scott, A. J.; Lesley, G.; Marder, T. B.; Norman, N. C. The Products of Catalysed Diboration of Bis(p-tolyl)ethyne and of 4-Cyanophenylethyne by Bis(catecholato-O,O')diboron Acta Crystallographica Section C 52(8) (1996) 1991-1995

301,791

2025-08-18

23:15:26

#------------------------------------------------------------------------------ #$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/2/00/52/2005209.cif $ #-------------------------------------------------------------------...

2,005,210

16.253

0.001

13.023

0.001

8.5856

0.0008

90

null

104.92

0.002

90

null

1,756

0.2

160

2

160

2

null

5

P 1 21/c 1

-P 2ybc

14

(Z)-1,2-bis(benzo-1',3',2'-dioxaborolan-2'-yl)-1-(4'-cyanophenyl)ethene

- C21 H13 B2 N O4 -

- C84 H52 B8 N4 O16 -

4

1

AB1383

Clegg, W.; Scott, A. J.; Lesley, G.; Marder, T. B.; Norman, N. C.

The Products of Catalysed Diboration of Bis(p-tolyl)ethyne and of 4-Cyanophenylethyne by Bis(catecholato-O,O')diboron

Acta Crystallographica Section C

1,996

52

8

1991

1995

10.1107/S0108270196006622

0.71073

MoKα

0.0416

0.0354

null

0.0963

0.0882

null

1.031

1.032

null

has coordinates

Clegg, W.; Scott, A. J.; Lesley, G.; Marder, T. B.; Norman, N. C. The Products of Catalysed Diboration of Bis(p-tolyl)ethyne and of 4-Cyanophenylethyne by Bis(catecholato-O,O')diboron Acta Crystallographica Section C 52(8) (1996) 1991-1995

301,791

2025-08-18

23:15:26

#------------------------------------------------------------------------------ #$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/2/00/52/2005210.cif $ #-------------------------------------------------------------------...

4,322,199

13.75

0.006

7.875

0.009

20.487

0.009

90

null

90.48

0.03

90

null

2,218

3

298

null

298

null

5

P 1 21/c 1

-P 2ybc

14

- C18 H26 Br3 N5 O -

- C18 H24 Br3 N5 O -

- C72 H96 Br12 N20 O4 -

4

1

Carla Bazzicalupi; Andrea Bencini; Antonio Bianchi; Claudia Giorgi; Vieri Fusi; Barbara Valtancoli; M. Alexandra Bernardo; Fernando Pina

Effect of Protonation and Zn(II) Coordination on the Fluorescence Emission of a Phenanthroline-Containing Macrocycle. An Unusual Case of "Nonemissive" Zn(II) Complex

Inorganic Chemistry

1,999

38

3806

3813

10.1021/ic981374k

0.71069

MoKα

0.1498

0.0655

null

0.184

0.1363

null

1.021

1.095

null

has coordinates

Carla Bazzicalupi; Andrea Bencini; Antonio Bianchi; Claudia Giorgi; Vieri Fusi; Barbara Valtancoli; M. Alexandra Bernardo; Fernando Pina Effect of Protonation and Zn(II) Coordination on the Fluorescence Emission of a Phenanthroline-Containing Macrocycle. An Unusual Case of "Nonemissive" Zn(II) Complex Inorganic Chemist...

201,982

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-10-13 14:42:48 +0300 (Fri, 13 Oct 2017) $ #$Revision: 201982 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/21/4322199.cif $ #-------------------------------------------------------------------...

2,005,211

14.062

0.004

12.046

0.002

11.697

0.002

90

null

102.63

0.02

90

null

1,933.4

0.7

291

null

4

P 1 21/c 1

-P 2ybc

14

- C21 H17 N3 O5 -

- C84 H68 N12 O20 -

4

1

BK1124

Barrett, D. M. Y.; Kahwa, I. A.; Williams, D. J.

Formylation versus Alkylation of Secondary Amines in DMF

Acta Crystallographica Section C

1,996

52

8

2069

2071

10.1107/S010827019600056X

1.54178

CuKα

null

0.0464

null

0.0539

null

2.47

null

has coordinates

Barrett, D. M. Y.; Kahwa, I. A.; Williams, D. J. Formylation versus Alkylation of Secondary Amines in DMF Acta Crystallographica Section C 52(8) (1996) 2069-2071

301,791

2025-08-18

23:15:26

#------------------------------------------------------------------------------ #$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/2/00/52/2005211.cif $ #-------------------------------------------------------------------...

2,005,212

5.534

0.002

12.759

0.002

5.74

0.002

90

null

104.77

0.02

90

null

391.9

0.2

296

null

6

P 1 21 1

P 2yb

4

- C3 H8 Ca N O7 P -

- C6 H16 Ca2 N2 O14 P2 -

2

1

BK1190

Suga, T.; Okabe, N.

Aqua(L-O-serine phosphato)calcium(II)

Acta Crystallographica Section C

1,996

52

8

1894

1896

10.1107/S0108270196002648

0.71069

MoKα

null

0.024

null

0.029

null

1.22

null

has coordinates

Suga, T.; Okabe, N. Aqua(L-O-serine phosphato)calcium(II) Acta Crystallographica Section C 52(8) (1996) 1894-1896

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/2/00/52/2005212.cif $ #-------------------------------------------------------------------...

2,005,213

7.08

0.002

10.007

0.001

16.482

0.002

90

null

90.3

0.02

90

null

1,167.7

0.4

293

null

293

null

5

P 1 21/c 1

-P 2ybc

14

Di-μ-chloro-bis[chloro(2-(N-propylaminomethyl)pyridine)copper(II)]

- C18 H28 Cl4 Cu2 N4 -

- C36 H56 Cl8 Cu4 N8 -

2

0.5

BK1213

Wahnon, D.; Keith, C.; Chin, J.; Hynes, R. C.

Di-μ-chloro-bis{chloro[2-(N-propylaminomethyl)pyridine-N,N']copper(II)}

Acta Crystallographica Section C

1,996

52

8

1877

1879

10.1107/S0108270196003459

0.7107

MolybdenumKα

0.05

0.032

null

0.032

0.031

null

1.55

null

has coordinates

Wahnon, D.; Keith, C.; Chin, J.; Hynes, R. C. Di-μ-chloro-bis{chloro[2-(N-propylaminomethyl)pyridine-N,N']copper(II)} Acta Crystallographica Section C 52(8) (1996) 1877-1879

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/2/00/52/2005213.cif $ #-------------------------------------------------------------------...

2,005,214

8.439

0.001

16.864

0.002

11.01

0.001

90

null

109.56

0.01

90

null

1,476.5

0.3

293

2

293

2

null

6

P 1 21/n 1

-P 2yn

14

Bis(μ-thiosulphato-S,O)-bis(dimethylphenanthrolyne cadmium(II))

- C28 H24 Cd2 N4 O6 S4 -

- C56 H48 Cd4 N8 O12 S8 -

2

0.5

BK1214

Baggio, R.; Baggio, S.; Pardo, M. I.; Garland, M. T.

Bis(μ-thiosulfato)-1κO,1:2κ^2^S;2κO,1:2κ^2^S-bis[(2,9-dimethyl-1,10-phenanthroline-N,N')cadmium(II)]

Acta Crystallographica Section C

1,996

52

8

1939

1942

10.1107/S0108270196003502

0.71073

MoKα

0.0311

0.0252

null

0.0638

0.0591

null

1.056

1.067

null

has coordinates,has Fobs

Baggio, R.; Baggio, S.; Pardo, M. I.; Garland, M. T. Bis(μ-thiosulfato)-1κO,1:2κ^2^S;2κO,1:2κ^2^S-bis[(2,9-dimethyl-1,10-phenanthroline-N,N')cadmium(II)] Acta Crystallographica Section C 52(8) (1996) 1939-1942

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/2/00/52/2005214.cif $ #-------------------------------------------------------------------...

2,005,215

9.003

0.003

8.896

0.005

24.832

0.004

90

null

94.29

0.03

90

null

1,983.2

1.3

296

null

296

null

6

P 1 21/c 1

-P 2ybc

14

calcium o-tolidine-6,6'-disulfonate tetrahydrate

- C14 H22 Ca N2 O10 S2 -

- C56 H88 Ca4 N8 O40 S8 -

4

1

BK1220

Gunderman, B. J.; Squattrito, P. J.

Two Calcium Salts of o-Tolidine-6,6'-disulfonate

Acta Crystallographica Section C

1,996

52

8

1896

1901

10.1107/S0108270196004957

0.7107

MoKα

0.078

0.036

null

0.068

0.037

null

1.87

null

has coordinates

Gunderman, B. J.; Squattrito, P. J. Two Calcium Salts of o-Tolidine-6,6'-disulfonate Acta Crystallographica Section C 52(8) (1996) 1896-1901

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/2/00/52/2005215.cif $ #-------------------------------------------------------------------...

2,005,216

13.163

0.007

16.122

0.007

11.814

0.005

93.23

0.04

112.97

0.04

106.5

0.04

2,173

2

296

null

296

null

6

P -1

-P 1

2

calcium o-tolidine-6,6'-disulfonate dodecahydrate

- C28 H54 Ca N4 O24 S4 -

- C28 H44 Ca N4 O24 S4 -

- C56 H88 Ca2 N8 O48 S8 -

2

1

BK1220

Gunderman, B. J.; Squattrito, P. J.

Two Calcium Salts of o-Tolidine-6,6'-disulfonate

Acta Crystallographica Section C

1,996

52

8

1896

1901

10.1107/S0108270196004957

0.7107

MoKα

0.16

0.049

null

0.062

0.05

null

1.87

null

has coordinates

Gunderman, B. J.; Squattrito, P. J. Two Calcium Salts of o-Tolidine-6,6'-disulfonate Acta Crystallographica Section C 52(8) (1996) 1896-1901

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/2/00/52/2005216.cif $ #-------------------------------------------------------------------...

4,322,198

13.1273

0.001

13.7481

0.001

19.705

0.01

78.269

0.01

80.961

0.01

68.002

0.01

3,215.6

1.7

298

2

298

2

null

6

P -1

-P 1

2

- C66 H80 B2 N2 O6 Si2 -

- C66 H72 B2 N2 O6 Si2 -

- C132 H144 B4 N4 O12 Si4 -

2

1

Pingrong Wei; Timothy Keizer; David A. Atwood

Synthesis and Structures of Salen-Supported Borates Containing Siloxides

Inorganic Chemistry

1,999

38

3914

3918

10.1021/ic9812003

0.71073

MoKα

0.097

0.0753

null

0.2051

0.1691

null

1.33

1.414

null

has coordinates

Pingrong Wei; Timothy Keizer; David A. Atwood Synthesis and Structures of Salen-Supported Borates Containing Siloxides Inorganic Chemistry 38 (1999) 3914-3918

179,324

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:22:11 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179324 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/21/4322198.cif $ #-------------------------------------------------------------------...

2,005,217

15.754

0.001

19.29

0.001

13.205

0.001

90

null

92.1

0.01

90

null

4,010.2

0.4

296

null

4

P 1 21/n 1

-P 2yn

14

- C21 H23 N5 O3 -

- C21 H22 N5 O3 -

- C168 H176 N40 O24 -

8

2

BM1044

Das, A. K.; Dutta, M.; Mazumdar, S. K.; Mazumdar, B.; Mukhopadhyay, A.; Talapatra, S. K.

9-Benzyl-7-[(E)-2-butenyl]-2,3-dihydro-6-hydroxy-1,3-dimethylpyrimido[2,1-f]purine-4,8(1H,9H)-dione

Acta Crystallographica Section C

1,996

52

8

2076

2078

10.1107/S0108270196002946

1.54184

CuKα

null

0.056

null

0.062

null

1.98

null

has coordinates

Das, A. K.; Dutta, M.; Mazumdar, S. K.; Mazumdar, B.; Mukhopadhyay, A.; Talapatra, S. K. 9-Benzyl-7-[(E)-2-butenyl]-2,3-dihydro-6-hydroxy-1,3-dimethylpyrimido[2,1-f]purine-4,8(1H,9H)-dione Acta Crystallographica Section C 52(8) (1996) 2076-2078

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/2/00/52/2005217.cif $ #-------------------------------------------------------------------...

2,005,218

32.41

0.01

32.41

0.01

6.056

0.003

90

null

90

null

90

null

6,361

4

298

null

6

I 41/a :2

-I 4ad

88

- C14 H17.5 Cl N4 O1.25 S -

- C224 H280 Cl16 N64 O20 S16 -

16

1

BM1047

Kovala-Demertzi, D.; Varagi, V.; Demertzis, M. A.; Raptopoulou, C. P.; Terzis, A.

2-Acetylpyridinium 4N-Phenylthiosemicarbazone Chloride 1.25-Hydrate

Acta Crystallographica Section C

1,996

52

8

2027

2029

10.1107/S010827019600176X

0.7107

MoKα

null

0.0351

null

0.035

null

2.35

null

has coordinates

Kovala-Demertzi, D.; Varagi, V.; Demertzis, M. A.; Raptopoulou, C. P.; Terzis, A. 2-Acetylpyridinium 4N-Phenylthiosemicarbazone Chloride 1.25-Hydrate Acta Crystallographica Section C 52(8) (1996) 2027-2029

301,791

2025-08-18

23:15:26

#------------------------------------------------------------------------------ #$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/2/00/52/2005218.cif $ #-------------------------------------------------------------------...

2,005,219

10.214

0.001

9.361

0.002

19.097

0.002

90

null

99.34

0.04

90

null

1,801.7

0.5

295

null

6

P 1 21/n 1

-P 2yn

14

- C21 H20 N2 Ni O S -

- C84 H80 N8 Ni4 O4 S4 -

4

1

BM1064

Ülkü, D.; Tahir, M. N.; Üçar, G.; Atakol, O.

(Pyrrolidine-N)[1-(2-thiophenyliminomethyl)-2-naphtholato(2‒)-N,O,S]nickel(II)

Acta Crystallographica Section C

1,996

52

8

1884

1885

10.1107/S0108270196003848

0.71069

MoKα

null

0.039

null

0.039

null

1.3

null

has coordinates

Ülkü, D.; Tahir, M. N.; Üçar, G.; Atakol, O. (Pyrrolidine-N)[1-(2-thiophenyliminomethyl)-2-naphtholato(2‒)-N,O,S]nickel(II) Acta Crystallographica Section C 52(8) (1996) 1884-1885

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/2/00/52/2005219.cif $ #-------------------------------------------------------------------...

2,005,220

12.893

0.004

6.215

0.002

18.8

0.008

90

null

95.06

0.03

90

null

1,500.6

0.9

150

null

293

2

null

4

P 1 21 1

P 2yb

4

Cholesteryl p-Toluenesulfonate

- C34 H52 O3 S -

- C68 H104 O6 S2 -

2

1

BM1066

Cox, P. J.; Buchanan, H. J.; Wardell, J. L.

Redetermination of Cholesteryl p-Toluenesulfonate at 150K

Acta Crystallographica Section C

1,996

52

8

2111

2113

10.1107/S0108270196003150

0.71073

MoKα

0.0981

0.0494

null

0.1066

0.096

null

0.659

0.888

null

has coordinates

Cox, P. J.; Buchanan, H. J.; Wardell, J. L. Redetermination of Cholesteryl p-Toluenesulfonate at 150K Acta Crystallographica Section C 52(8) (1996) 2111-2113

301,791

2025-08-18

23:15:26

#------------------------------------------------------------------------------ #$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/2/00/52/2005220.cif $ #-------------------------------------------------------------------...

2,005,221

11.851

0.006

15.298

0.009

27.35

0.02

90

null

90

null

90

null

4,958

5

303

2

303

2

null

5

P b c a

-P 2ac 2ab

61

N-p-Tolyl-2-chloro-5-p-tolouylamino-4-p-tolylamino-6-pyrimidinecarboxyamide

- C27 H24 Cl N5 O2 -

- C216 H192 Cl8 N40 O16 -

8

1

BM1069

Mazurek, J.; Lis, T.; Jasztold-Howorko, R.

Orthorhombic and Triclinic Forms of 2-Chloro-5-p-toluoylamino-N-p-tolyl-4-p-tolylamino-6-pyrimidinecarboxamide and 2-Chloro-5-(p-chlorobenzoylamino)-N-p-tolyl-4-p-tolylamino-6-pyrimidinecarboxamide

Acta Crystallographica Section C

1,996

52

8

2106

2111

10.1107/S0108270196005616

1.5418

CuKα

0.0425

null

0.1161

null

1.039

null

has coordinates

Mazurek, J.; Lis, T.; Jasztold-Howorko, R. Orthorhombic and Triclinic Forms of 2-Chloro-5-p-toluoylamino-N-p-tolyl-4-p-tolylamino-6-pyrimidinecarboxamide and 2-Chloro-5-(p-chlorobenzoylamino)-N-p-tolyl-4-p-tolylamino-6-pyrimidinecarboxamide Acta Crystallographica ...

301,791

2025-08-18

23:15:26

#------------------------------------------------------------------------------ #$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/2/00/52/2005221.cif $ #-------------------------------------------------------------------...

4,322,197

13.6279

0.0009

13.6578

0.0009

14.0519

0.001

65.838

0.001

61.104

0.001

64.21

0.001

1,994.9

0.2

298

2

298

2

null

6

P -1

-P 1

2

- C45 H39 B N O3 Si2 -

- C90 H78 B2 N2 O6 Si4 -

2

1

Pingrong Wei; Timothy Keizer; David A. Atwood

Synthesis and Structures of Salen-Supported Borates Containing Siloxides

Inorganic Chemistry

1,999

38

3914

3918

10.1021/ic9812003

0.71073

MoKα

0.0567

0.0461

null

0.135

0.1194

null

0.544

0.526

null

has coordinates

Pingrong Wei; Timothy Keizer; David A. Atwood Synthesis and Structures of Salen-Supported Borates Containing Siloxides Inorganic Chemistry 38 (1999) 3914-3918

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/4/32/21/4322197.cif $ #-------------------------------------------------------------------...

2,005,222

7.375

0.002

11.888

0.006

14.103

0.006

101.34

0.04

94.75

0.03

91.2

0.03

1,207.3

0.9

298

2

293

2

null

5

P -1

-P 1

2

N-p-Tolyl-2-chloro-5-p-toluylamino-4-p-tolylamino-6-pyrimidinecarboxyamide

- C27 H24 Cl N5 O2 -

- C54 H48 Cl2 N10 O4 -

2

1

BM1069

Mazurek, J.; Lis, T.; Jasztold-Howorko, R.

Orthorhombic and Triclinic Forms of 2-Chloro-5-p-toluoylamino-N-p-tolyl-4-p-tolylamino-6-pyrimidinecarboxamide and 2-Chloro-5-(p-chlorobenzoylamino)-N-p-tolyl-4-p-tolylamino-6-pyrimidinecarboxamide

Acta Crystallographica Section C

1,996

52

8

2106

2111

10.1107/S0108270196005616

1.5418

CuKα

0.0393

null

0.1083

null

1.048

null

has coordinates

Mazurek, J.; Lis, T.; Jasztold-Howorko, R. Orthorhombic and Triclinic Forms of 2-Chloro-5-p-toluoylamino-N-p-tolyl-4-p-tolylamino-6-pyrimidinecarboxamide and 2-Chloro-5-(p-chlorobenzoylamino)-N-p-tolyl-4-p-tolylamino-6-pyrimidinecarboxamide Acta Crystallographica ...

301,791

2025-08-18

23:15:26

#------------------------------------------------------------------------------ #$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/2/00/52/2005222.cif $ #-------------------------------------------------------------------...

2,005,223

7.411

0.002

11.784

0.002

13.989

0.004

101.61

0.02

94.29

0.02

92.15

0.02

1,191.6

0.5

294

1

294

1

null

5

P -1

-P 1

2

N-p-Tolyl-2-chloro-5-(p-chloro)-benzoylamino-4-p-tolylamino- 6-pyrimidinecarboxyamide

- C26 H21 Cl2 N5 O2 -

- C52 H42 Cl4 N10 O4 -

2

1

BM1069

Mazurek, J.; Lis, T.; Jasztold-Howorko, R.

Orthorhombic and Triclinic Forms of 2-Chloro-5-p-toluoylamino-N-p-tolyl-4-p-tolylamino-6-pyrimidinecarboxamide and 2-Chloro-5-(p-chlorobenzoylamino)-N-p-tolyl-4-p-tolylamino-6-pyrimidinecarboxamide

Acta Crystallographica Section C

1,996

52

8

2106

2111

10.1107/S0108270196005616

1.5418

CuKα

0.0504

0.046

null

0.1232

0.1188

null

1.068

1.07

null

has coordinates

Mazurek, J.; Lis, T.; Jasztold-Howorko, R. Orthorhombic and Triclinic Forms of 2-Chloro-5-p-toluoylamino-N-p-tolyl-4-p-tolylamino-6-pyrimidinecarboxamide and 2-Chloro-5-(p-chlorobenzoylamino)-N-p-tolyl-4-p-tolylamino-6-pyrimidinecarboxamide Acta Crystallographica ...

301,791

2025-08-18

23:15:26

#------------------------------------------------------------------------------ #$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/2/00/52/2005223.cif $ #-------------------------------------------------------------------...

4,322,196

13.8621

0.0011

14.0457

0.001

15.2496

0.0011

82.367

0.001

80.105

0.001

62.32

0.001

2,585.4

0.3

298

2

298

2

null

6

P -1

-P 1

2

Salben{B(OSiPh3)2}2

- C59 H56 B N O3 Si2 -

- C59 H53 B N O3 Si2 -

- C118 H106 B2 N2 O6 Si4 -

2

1

Pingrong Wei; Timothy Keizer; David A. Atwood

Synthesis and Structures of Salen-Supported Borates Containing Siloxides

Inorganic Chemistry

1,999

38

3914

3918

10.1021/ic9812003

0.71073

MoKα

0.0742

0.0602

null

0.1709

0.1531

null

1

1.026

null

has coordinates

Pingrong Wei; Timothy Keizer; David A. Atwood Synthesis and Structures of Salen-Supported Borates Containing Siloxides Inorganic Chemistry 38 (1999) 3914-3918

179,324

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:22:11 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179324 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/21/4322196.cif $ #-------------------------------------------------------------------...

2,005,224

6.594

0.001

10.763

0.002

11.649

0.002

90

null

105.36

0.01

90

null

797.2

0.2

293

2

293

2

null

5

P 1 21/n 1

-P 2yn

14

trans-Di-mu-chloro-dichlorobis(trimethylphosphine)diplatinum(II)

- C6 H18 Cl4 P2 Pt2 -

- C12 H36 Cl8 P4 Pt4 -

2

0.5

BM1079

Boag, N. M.; Ravetz, M. S.

trans-Di-μ-chloro-bis[chloro(trimethylphosphine-P)platinum(II)]

Acta Crystallographica Section C

1,996

52

8

1942

1943

10.1107/S0108270196004301

0.71073

MoKα

0.0629

0.0426

null

0.1131

0.1014

null

1.032

1.063

null

has coordinates

Boag, N. M.; Ravetz, M. S. trans-Di-μ-chloro-bis[chloro(trimethylphosphine-P)platinum(II)] Acta Crystallographica Section C 52(8) (1996) 1942-1943

196,234

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-05-05 08:49:52 +0300 (Fri, 05 May 2017) $ #$Revision: 196234 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/52/2005224.cif $ #-------------------------------------------------------------------...

2,005,225

4.655

0.002

8.565

0.003

9.103

0.003

90

null

97.8

0.01

90

null

359.6

0.2

298

null

298

null

4

P 1 21/m 1

-P 2yb

11

Lithium dicobalt tripolyphosphate

- Co2 Li O10 P3 -

- Co4 Li2 O20 P6 -

2

0.5

BR1124

Erragh, F.; Boukhari, A.; Holt, E. M.

Lithium Dicobalt Tripolyphosphate and Lithium Dinickel Tripolyphosphate

Acta Crystallographica Section C

1,996

52

8

1867

1869

10.1107/S010827019501643X

0.71073

MoKα

null

0.034

null

0.046

null

1.13

null

has coordinates

Erragh, F.; Boukhari, A.; Holt, E. M. Lithium Dicobalt Tripolyphosphate and Lithium Dinickel Tripolyphosphate Acta Crystallographica Section C 52(8) (1996) 1867-1869

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/2/00/52/2005225.cif $ #-------------------------------------------------------------------...

2,005,226

4.576

0.001

8.356

0.001

8.921

0.001

90

null

98.08

0.01

90

null

337.73

0.09

298

null

298

null

4

P 1 21/m 1

-P 2yb

11

Lithium dinickel tripolyphosphate

- Li Ni2 O10 P3 -

- Li2 Ni4 O20 P6 -

2

0.5

BR1124

Erragh, F.; Boukhari, A.; Holt, E. M.

Lithium Dicobalt Tripolyphosphate and Lithium Dinickel Tripolyphosphate

Acta Crystallographica Section C

1,996

52

8

1867

1869

10.1107/S010827019501643X

0.71073

MoKα

null

0.052

null

0.063

null

1.2

null

has coordinates

Erragh, F.; Boukhari, A.; Holt, E. M. Lithium Dicobalt Tripolyphosphate and Lithium Dinickel Tripolyphosphate Acta Crystallographica Section C 52(8) (1996) 1867-1869

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/2/00/52/2005226.cif $ #-------------------------------------------------------------------...

2,005,227

9.473

0.004

7.802

0.003

6.755

0.002

78.14

0.02

75.58

0.02

77.21

0.02

465.5

0.3

298

null

4

P -1

-P 1

2

- Cl3 H2 O13 Yb -

- Cl6 H4 O26 Yb2 -

2

1

BR1135

Belin, C.; Favier, F.; Pascal, J. L.; Tillard-Charbonnel, M.

Triperchloratoytterbium(III) Monohydrate, Yb(ClO~4~)~3~.H~2~O

Acta Crystallographica Section C

1,996

52

8

1872

1874

10.1107/S0108270196001709

0.71073

MoKα

null

0.0313

null

0.0389

null

0.84

null

has coordinates

Belin, C.; Favier, F.; Pascal, J. L.; Tillard-Charbonnel, M. Triperchloratoytterbium(III) Monohydrate, Yb(ClO~4~)~3~.H~2~O Acta Crystallographica Section C 52(8) (1996) 1872-1874

199,744

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-08-14 14:19:58 +0300 (Mon, 14 Aug 2017) $ #$Revision: 199744 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/52/2005227.cif $ #-------------------------------------------------------------------...

2,005,228

8.348

0.002

10.326

0.002

9.929

0.002

90

null

97.06

0.02

90

null

849.4

0.3

294

null

5

P 1 21/n 1

-P 2yn

14

Ammonium Uranyl Hydrogenselenite Selenite

- H5 N O8 Se2 U -

- N O8 Se2 U -

- N4 O32 Se8 U4 -

4

1

BR1138

Koskenlinna, M.; Valkonen, J.

Ammonium Uranyl Hydrogenselenite Selenite

Acta Crystallographica Section C

1,996

52

8

1857

1859

10.1107/S0108270196002053

0.71073

Mo_Kα

null

0.028

null

0.032

null

0.503

null

has coordinates

Koskenlinna, M.; Valkonen, J. Ammonium Uranyl Hydrogenselenite Selenite Acta Crystallographica Section C 52(8) (1996) 1857-1859

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/2/00/52/2005228.cif $ #-------------------------------------------------------------------...

2,005,229

7.947

0.002

11.949

0.003

7.749

0.002

106.19

0.02

96.79

0.02

84.7

0.02

700.3

0.3

293

null

293

null

3

P -1

-P 1

2

tetraline

1-hydroxy-1-propynyl-2,2-spiro-(1-cyclohex-2 -ene-1-one)-1(2H)-tetraline

- C18 H18 O2 -

- C36 H36 O4 -

2

1

CF1014

Kabaleeswaran, V.; Rajan, S. S.; Janarthanam, S.; Rajagopalan, K.

A Tetralin Derivative

Acta Crystallographica Section C

1,996

52

8

1983

1985

10.1107/S0108270195009711

1.5418

CuKα

0.052

0.039

null

0.06

0.046

null

0.958

0.888

null

has coordinates

Kabaleeswaran, V.; Rajan, S. S.; Janarthanam, S.; Rajagopalan, K. A Tetralin Derivative Acta Crystallographica Section C 52(8) (1996) 1983-1985

301,791

2025-08-18

23:15:26

#------------------------------------------------------------------------------ #$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/2/00/52/2005229.cif $ #-------------------------------------------------------------------...

2,005,230

11.212

0.002

8.43

0.0008

19.384

0.002

90

null

90.81

0.01

90

null

1,831.9

0.4

293

2

293

2

null

4

P 1 21/n 1

-P 2yn

14

rel-(1R,4R,7S,10R)-7-tert.-butyl-dimethyl-silyloxy- tetracyclo[5.4.1.0^4,12^.0^10,12^]dodecan-2-one

- C18 H30 O2 Si -

- C72 H120 O8 Si4 -

4

1

CF1072

Thommen, M.; Keese, R.; Förtsch, M.

A cis,trans,cis,cis-[4.5.5.5]Fenestrane Derivative

Acta Crystallographica Section C

1,996

52

8

2051

2053

10.1107/S0108270196002120

0.71069

MoKα

0.0718

0.0421

null

0.1246

0.1071

null

1.062

1.094

null

has coordinates

Thommen, M.; Keese, R.; Förtsch, M. A cis,trans,cis,cis-[4.5.5.5]Fenestrane Derivative Acta Crystallographica Section C 52(8) (1996) 2051-2053

301,791

2025-08-18

23:15:26

#------------------------------------------------------------------------------ #$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/2/00/52/2005230.cif $ #-------------------------------------------------------------------...

2,005,231

8.814

0.001

10.329

0.002

13.248

0.005

74.19

0.03

88.31

0.02

85.65

0.02

1,157.1

0.5

293

2

293

2

null

5

P 1

1

- C23 H26 Cl2 N4 O3 -

- C46 H52 Cl4 N8 O6 -

2

CF1077

Bolte, M.

Nearly Centrosymmetric (S)-7-(2,6-Dichlorobenzyl)-8-(3-oxocyclopentyl)-1,3-dipropyl-7H-purine-2,6-dione

Acta Crystallographica Section C

1,996

52

8

1985

1987

10.1107/S0108270196002570

1.5418

CuKα

0.0639

0.0627

null

0.2054

0.193

null

1.128

1.121

null

has coordinates

Bolte, M. Nearly Centrosymmetric (S)-7-(2,6-Dichlorobenzyl)-8-(3-oxocyclopentyl)-1,3-dipropyl-7H-purine-2,6-dione Acta Crystallographica Section C 52(8) (1996) 1985-1987

301,791

2025-08-18

23:15:26

#------------------------------------------------------------------------------ #$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/2/00/52/2005231.cif $ #-------------------------------------------------------------------...

2,005,232

10.58

0.001

13.784

0.003

15.218

0.003

66.59

0.01

86.91

0.03

75.93

0.01

1,973.3

0.6

293

2

293

2

null

4

P -1

-P 1

2

3,6-diaza-4,5-diethoxy-9,9-dimethyl-10-hydroxy-10-isopropyl-9,10- dihydroanthracene

- C21 H28 N2 O3 -

- C84 H112 N8 O12 -

4

2

CF1097

Ianelli, S.; Nardelli, M.; Belletti, D.; Pasquier, K.; Caubère, P.

Unusual Hetarynic Condensation of 3-Bromo-2-ethoxypyridine with Diisopropyl Ketone Enolate in the Presence of a Complex Base

Acta Crystallographica Section C

1,996

52

8

2097

2100

10.1107/S010827019600501X

0.71073

MoKα

null

0.0527

null

0.1067

0.0643

null

0.965

1.524

null

has coordinates

Ianelli, S.; Nardelli, M.; Belletti, D.; Pasquier, K.; Caubère, P. Unusual Hetarynic Condensation of 3-Bromo-2-ethoxypyridine with Diisopropyl Ketone Enolate in the Presence of a Complex Base Acta Crystallographica Section C 52(8) (1996) 2097-2100

301,791

2025-08-18

23:15:26

#------------------------------------------------------------------------------ #$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/2/00/52/2005232.cif $ #-------------------------------------------------------------------...

2,005,233

7.6314

0.0006

10.452

0.002

11.229

0.001

90

null

90

null

90

null

895.7

0.2

294

1

294

1

null

4

P 21 21 21

P 2ac 2ab

19

Cyanoferrocene

- C11 H9 Fe N -

- C44 H36 Fe4 N4 -

4

1

CF1114

Bell, W.; Ferguson, G.; Glidewell, C.

Cyanoferrocene: a Two-Dimensional Network Generated by Short C—H···N Hydrogen Bonds

Acta Crystallographica Section C

1,996

52

8

1928

1930

10.1107/S0108270196006233

0.7107

MoKα

0.0554

0.0375

null

0.1039

0.0978

null

0.934

1.015

null

has coordinates

Bell, W.; Ferguson, G.; Glidewell, C. Cyanoferrocene: a Two-Dimensional Network Generated by Short C—H···N Hydrogen Bonds Acta Crystallographica Section C 52(8) (1996) 1928-1930

192,285

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-02-19 19:14:04 +0200 (Sun, 19 Feb 2017) $ #$Revision: 192285 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/52/2005233.cif $ #-------------------------------------------------------------------...

2,005,234

4.029

0.001

11.125

0.002

11.775

0.001

97.339

0.009

99.948

0.009

90.04

0.01

515.45

0.16

300

null

4

P -1

-P 1

2

- C11 H7 Br O3 -

- C22 H14 Br2 O6 -

2

1

CR1164

Kokila, M. K.; Puttaraja; Kulkarni, M. V.; Shivaprakash, N. C.

3-Acetyl-6-bromocoumarin

Acta Crystallographica Section C

1,996

52

8

2078

2081

10.1107/S0108270195010493

0.7093

MoKα

null

0.067

null

0.067

null

1.298

null

has coordinates

Kokila, M. K.; Puttaraja; Kulkarni, M. V.; Shivaprakash, N. C. 3-Acetyl-6-bromocoumarin Acta Crystallographica Section C 52(8) (1996) 2078-2081

301,791

2025-08-18

23:15:26

#------------------------------------------------------------------------------ #$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/2/00/52/2005234.cif $ #-------------------------------------------------------------------...

2,005,235

11.9292

0.0005

8.8839

0.0005

14.214

0.001

90

null

105.089

0.004

90

null

1,454.43

0.15

295

null

3

P 1 21/n 1

-P 2yn

14

- C19 H14 O3 -

- C76 H56 O12 -

4

1

CR1187

Goeta, A. E.; Punte, G.; Jios, J. L.; Autino, J. C.

2-Acetylphenyl 1-Naphthoate

Acta Crystallographica Section C

1,996

52

8

2045

2047

10.1107/S0108270196001266

0.71073

MoKα

null

0.0342

null

0.0411

null

1.15

null

has coordinates

Goeta, A. E.; Punte, G.; Jios, J. L.; Autino, J. C. 2-Acetylphenyl 1-Naphthoate Acta Crystallographica Section C 52(8) (1996) 2045-2047

301,791

2025-08-18

23:15:26

#------------------------------------------------------------------------------ #$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/2/00/52/2005235.cif $ #-------------------------------------------------------------------...

2,005,236

7.1551

0.0007

13.528

0.001

9.9826

0.0009

90

null

90.748

0.008

90

null

966.18

0.15

183

null

4

P 1 21 1

P 2yb

4

- C18 H22 N4 O8 -

- C36 H44 N8 O16 -

2

1

CR1202

Freeman, F.; Scheuerman, R. A.; Ziller, J. W.

1-(4-Amino-6-methyl[1,3]oxazolo[5,4-d]pyrimidin-2-yl)-1-deoxy-D-ribose 5-Benzoate Dihydrate

Acta Crystallographica Section C

1,996

52

8

2006

2008

10.1107/S0108270196001242

0.71073

MoKα

null

0.048

null

0.062

null

1.95

null

has coordinates

Freeman, F.; Scheuerman, R. A.; Ziller, J. W. 1-(4-Amino-6-methyl[1,3]oxazolo[5,4-d]pyrimidin-2-yl)-1-deoxy-D-ribose 5-Benzoate Dihydrate Acta Crystallographica Section C 52(8) (1996) 2006-2008

301,791

2025-08-18

23:15:26

#------------------------------------------------------------------------------ #$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/2/00/52/2005236.cif $ #-------------------------------------------------------------------...

2,005,237

7.101

0.002

12.521

0.003

8.877

0.002

90

null

110.6

0.03

90

null

738.8

0.4

295

null

5

P 1 21/c 1

-P 2ybc

14

- C10 H24 Br2 Cu N4 -

- C20 H48 Br4 Cu2 N8 -

2

0.5

CR1206

Chen, X.; Long, G.; Willett, R. D.; Hawks, T.; Molnar, S.; Brewer, K.

Three Metal (1,4,8,11-Tetraazacyclotetradecane) Halide Salts

Acta Crystallographica Section C

1,996

52

8

1924

1928

10.1107/S0108270195016829

0.71073

MoKα

null

0.057

null

0.053

null

1.13

null

has coordinates

Chen, X.; Long, G.; Willett, R. D.; Hawks, T.; Molnar, S.; Brewer, K. Three Metal (1,4,8,11-Tetraazacyclotetradecane) Halide Salts Acta Crystallographica Section C 52(8) (1996) 1924-1928

301,791

2025-08-18

23:15:26

#------------------------------------------------------------------------------ #$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/2/00/52/2005237.cif $ #-------------------------------------------------------------------...

2,005,238

9.892

0.002

6.508

0.002

16.648

0.003

90

null

107.16

0.03

90

null

1,024

0.5

295

null

7

P 1 21/c 1

-P 2ybc

14

- C10 H36 Cl2 Mn0.66 N4 Ni0.34 O6 -

- C20 H72 Cl4 Mn1.32 N8 Ni0.68 O12 -

2

0.5

CR1206

Chen, X.; Long, G.; Willett, R. D.; Hawks, T.; Molnar, S.; Brewer, K.

Three Metal (1,4,8,11-Tetraazacyclotetradecane) Halide Salts

Acta Crystallographica Section C

1,996

52

8

1924

1928

10.1107/S0108270195016829

0.71073

MoKα

null

0.077

null

0.13

null

1.2

null

has coordinates

Chen, X.; Long, G.; Willett, R. D.; Hawks, T.; Molnar, S.; Brewer, K. Three Metal (1,4,8,11-Tetraazacyclotetradecane) Halide Salts Acta Crystallographica Section C 52(8) (1996) 1924-1928

176,342

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-11 00:55:37 +0200 (Thu, 11 Feb 2016) $ #$Revision: 176342 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/52/2005238.cif $ #-------------------------------------------------------------------...

2,005,239

6.415

0.002

7.427

0.002

21.074

0.004

90

null

90.99

0.03

90

null

1,003.9

0.5

295

null

7

P 1 21/n 1

-P 2yn

14

- C10 H35 Cl2.5 Co0.5 Mn0.5 N4 O5.5 -

- C10 H32 Cl3 Co0.5 Mn0.5 N4 O5 -

- C20 H64 Cl6 Co Mn N8 O10 -

2

0.5

CR1206

Chen, X.; Long, G.; Willett, R. D.; Hawks, T.; Molnar, S.; Brewer, K.

Three Metal (1,4,8,11-Tetraazacyclotetradecane) Halide Salts

Acta Crystallographica Section C

1,996

52

8

1924

1928

10.1107/S0108270195016829

0.71073

MoKα

null

0.065

null

0.073

null

1.23

null

has coordinates

Chen, X.; Long, G.; Willett, R. D.; Hawks, T.; Molnar, S.; Brewer, K. Three Metal (1,4,8,11-Tetraazacyclotetradecane) Halide Salts Acta Crystallographica Section C 52(8) (1996) 1924-1928

176,342

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-11 00:55:37 +0200 (Thu, 11 Feb 2016) $ #$Revision: 176342 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/52/2005239.cif $ #-------------------------------------------------------------------...

4,322,195

13.578

0.0002

13.8505

0.0002

13.9526

0.0002

106.622

0.001

109.693

0.001

107.137

0.001

2,133.3

0.07

298

2

298

2

null

7

P -1

-P 1

2

- C42 H37 Cd N3 O2 P2 S2 -

- C84 H74 Cd2 N6 O4 P4 S4 -

2

1

Paulo Pérez-Lourido; Jaime Romero; José A. García-Vázquez; Antonio Sousa; Kevin P. Maresca; Jon Zubieta

Synthesis and Characterization of Zinc and Cadmium Compounds with Arenephosphinothiol Ligands. Crystal and Molecular Structures of [Cd2{2-(Ph2PO)C6H4S}4], [Zn{2-(Ph2P)-6-(Me3Si)C6H3S}2], [Cd{2-(Ph2PO)-6-(Me3Si)C6H3S}2(CH3OH)], and [Zn{PhPO(C6H4S-2)2}(bipy)]

Inorganic Chemistry

1,999

38

3709

3715

10.1021/ic981405b

0.71073

MoKα

0.0577

0.0483

null

0.1613

0.146

null

1.082

null

has coordinates

Paulo Pérez-Lourido; Jaime Romero; José A. García-Vázquez; Antonio Sousa; Kevin P. Maresca; Jon Zubieta Synthesis and Characterization of Zinc and Cadmium Compounds with Arenephosphinothiol Ligands. Crystal and Molecular Structures of [Cd2{2-(Ph2PO)C6H4S}4], [Zn{2-(Ph2P)-6-(Me3Si)C6H3S}2], [Cd{2-(Ph2PO)-6-(Me3Si)C6H3S}...

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/4/32/21/4322195.cif $ #-------------------------------------------------------------------...

2,005,240

15.082

0.003

9.19

0.0003

26.499

0.005

90

null

90.533

0.009

90

null

3,672.7

1

295

null

4

P 1 21/c 1

-P 2ybc

14

- Ga3 Mo26 O48 Sr4 -

- Ga12 Mo104 O192 Sr16 -

4

1

DU1150

Tortelier, J.; Gougeon, P.

Sr~4~Ga~3~Mo~26~O~48~ Containing Mo~7~ Clusters and Infinite Mo~7~‒Mo~10~‒Mo~7~ Chains

Acta Crystallographica Section C

1,996

52

8

1862

1867

10.1107/S0108270196002727

0.71073

MoKα

null

0.036

null

0.039

null

1.325

null

has coordinates

Tortelier, J.; Gougeon, P. Sr~4~Ga~3~Mo~26~O~48~ Containing Mo~7~ Clusters and Infinite Mo~7~‒Mo~10~‒Mo~7~ Chains Acta Crystallographica Section C 52(8) (1996) 1862-1867

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/2/00/52/2005240.cif $ #-------------------------------------------------------------------...

2,005,241

9.711

0.001

10.907

0.002

20.669

0.003

89.58

0.01

84.04

0.01

85.54

0.01

2,170.8

0.6

293

2

293

2

null

5

P -1

-P 1

2

(2,2'(1,2'-bicyclohexenyl))bis(triphenylphosphine)platinum(0) Tetrahydrofuran Solvate

- C51.4 H52.8 O0.85 P2 Pt -

- C48 H46 P2 Pt -

- C96 H92 P4 Pt2 -

2

1

FG1046

Abboud, K. A.; Lu, Z.; Jones, W. M.

[2,2'-(1,3'-Bicyclohexenyl)]bis(triphenylphosphine)platinum(0) Tetrahydrofuran Solvate

Acta Crystallographica Section C

1,996

52

8

1909

1911

10.1107/S0108270196000133

0.71073

MoKα

0.0492

0.0367

null

0.0827

0.0786

null

0.995

1.052

null

has coordinates

Abboud, K. A.; Lu, Z.; Jones, W. M. [2,2'-(1,3'-Bicyclohexenyl)]bis(triphenylphosphine)platinum(0) Tetrahydrofuran Solvate Acta Crystallographica Section C 52(8) (1996) 1909-1911

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/2/00/52/2005241.cif $ #-------------------------------------------------------------------...

2,005,242

15.557

0.009

13.138

0.004

17.899

0.005

90

null

90

null

90

null

3,658

3

296

null

296

null

4

P b c n

-P 2n 2ab

60

5,5-diethyl-1-methyl-(1H,2H,3H,5H)-hexahydropyrimidine-4,6-dione-2- spiro-9'-fluorene

- C21 H22 N2 O2 -

- C168 H176 N16 O16 -

8

1

FG1159

Gong, Y.; Robinson, P. D.; Bausch, M. J.

5,5-Diethyl-1-methyl-1H,2H,3H,5H-pyrimidine-2-spiro-9'-fluorene-4,6-dione

Acta Crystallographica Section C

1,996

52

8

2081

2084

10.1107/S0108270196001485

0.71069

MoKα

null

0.048

null

0.044

null

1.38

null

has coordinates

Gong, Y.; Robinson, P. D.; Bausch, M. J. 5,5-Diethyl-1-methyl-1H,2H,3H,5H-pyrimidine-2-spiro-9'-fluorene-4,6-dione Acta Crystallographica Section C 52(8) (1996) 2081-2084

301,791

2025-08-18

23:15:26

#------------------------------------------------------------------------------ #$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/2/00/52/2005242.cif $ #-------------------------------------------------------------------...

2,005,243

6.553

0.004

10.893

0.004

20.492

0.002

90

null

94.09

0.02

90

null

1,459

1

296

null

296

null

2

P 1 21 1

P 2yb

4

- C35 H50 -

- C70 H100 -

2

1

FG1167

Parvez, M.; Nicholson, R.; Simion, D.; Sorensen, T. S.

Naphtho[2,3-b]cholestane

Acta Crystallographica Section C

1,996

52

8

2113

2115

10.1107/S0108270196003599

0.71069

MoKα

null

0.0595

null

0.0611

null

3.158

null

has coordinates

Parvez, M.; Nicholson, R.; Simion, D.; Sorensen, T. S. Naphtho[2,3-b]cholestane Acta Crystallographica Section C 52(8) (1996) 2113-2115

301,791

2025-08-18

23:15:26

#------------------------------------------------------------------------------ #$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/2/00/52/2005243.cif $ #-------------------------------------------------------------------...

2,005,244

10.223

0.003

14.096

0.003

21.454

0.008

90

null

90

null

90

null

3,091.6

1.6

293

2

293

2

null

6

P 21 21 21

P 2ac 2ab

19

(OC-6-2'3'-C)-Chlorobis[2-(diphenylphosphino)phenolato]oxorhenium(V)

- C36 H28 Cl O3 P2 Re -

- C144 H112 Cl4 O12 P8 Re4 -

4

1

FG1173

Loiseau, F.; Lucchese, Y.; Dartiguenave, M.; Bélanger-Gariépy, F.; Beauchamp, A. L.

Chlorobis[2-(diphenylphosphino)phenolato-O,P]oxorhenium(V)

Acta Crystallographica Section C

1,996

52

8

1968

1971

10.1107/S0108270196004106

1.54056

CopperKα

0.0393

0.031

null

0.065

0.0625

null

0.74

0.781

null

has coordinates

Loiseau, F.; Lucchese, Y.; Dartiguenave, M.; Bélanger-Gariépy, F.; Beauchamp, A. L. Chlorobis[2-(diphenylphosphino)phenolato-O,P]oxorhenium(V) Acta Crystallographica Section C 52(8) (1996) 1968-1971

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/2/00/52/2005244.cif $ #-------------------------------------------------------------------...

2,005,245

13.511

0.001

8.72

0.001

13.972

0.002

90

null

102.177

0.009

90

null

1,609.1

0.3

293

2

293

2

null

6

P 1 21/c 1

-P 2ybc

14

Bis[di(2-aminoethyl)amine]nickel(II) chloride monohydrate

- C8 H28 Cl2 N6 Ni O -

- C32 H112 Cl8 N24 Ni4 O4 -

4

1

FG1177

Hynes, R. C.; Willis, C. J.; Vittal, J. J.

Bis[di(2-aminoethyl)amine-N,N',N'']nickel(II) Chloride Monohydrate, a Redetermination

Acta Crystallographica Section C

1,996

52

8

1879

1881

10.1107/S0108270196005835

0.71073

MoKα

0.0488

0.035

null

0.0833

0.077

null

1.034

1.064

null

has coordinates

Hynes, R. C.; Willis, C. J.; Vittal, J. J. Bis[di(2-aminoethyl)amine-N,N',N'']nickel(II) Chloride Monohydrate, a Redetermination Acta Crystallographica Section C 52(8) (1996) 1879-1881

301,791

2025-08-18

23:15:26

#------------------------------------------------------------------------------ #$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/2/00/52/2005245.cif $ #-------------------------------------------------------------------...

2,005,246

17.381

0.004

18.414

0.003

9.591

0.002

90

null

90

null

90

null

3,069.6

1.1

294

null

294

null

3

P 21 21 21

P 2ac 2ab

19

- C40 H30 P2 -

- C160 H120 P8 -

4

1

FG1181

Fu, T. Y.; Scheffer, J. R.; Trotter, J.

(+)-(4bR,8bR,8cR,8dR)-Tetrahydrodibenzo[a,f]cyclopropa[cd]pentalene-8b,8c-bis(diphenylphosphine)

Acta Crystallographica Section C

1,996

52

8

2095

2097

10.1107/S0108270196004477

1.5418

CuKα

null

0.031

null

0.051

0.033

null

0.035

1.9

null

has coordinates

Fu, T. Y.; Scheffer, J. R.; Trotter, J. (+)-(4bR,8bR,8cR,8dR)-Tetrahydrodibenzo[a,f]cyclopropa[cd]pentalene-8b,8c-bis(diphenylphosphine) Acta Crystallographica Section C 52(8) (1996) 2095-2097

301,791

2025-08-18

23:15:27

#------------------------------------------------------------------------------ #$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/2/00/52/2005246.cif $ #-------------------------------------------------------------------...

2,005,247

8.427

0.002

9.043

0.002

10.195

0.002

115.61

0.02

102.39

0.02

90.07

0.02

680.4

0.3

123

2

123

2

null

6

P -1

-P 1

2

{trans-2,2,4,4-Tetrafluoro-1,3-diphenyl-1,3-diphosphetane} -bis(pentacarbonylchromium(0))

- C24 H10 Cr2 F4 O10 P2 -

1

0.5

FG1186

Jones, P. G.

trans-2,2,4,4-Tetrafluoro-1,3-diphenyl-1,3-diphosphetanediyl-1,3-bis[pentacarbonylchromium(0)]

Acta Crystallographica Section C

1,996

52

8

1919

1921

10.1107/S0108270196004817

0.71073

MoKα

0.0232

0.0219

null

0.0632

0.059

null

1.08

1.087

null

has coordinates

Jones, P. G. trans-2,2,4,4-Tetrafluoro-1,3-diphenyl-1,3-diphosphetanediyl-1,3-bis[pentacarbonylchromium(0)] Acta Crystallographica Section C 52(8) (1996) 1919-1921

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/2/00/52/2005247.cif $ #-------------------------------------------------------------------...

2,005,248

14.817

0.003

17.322

0.004

16.788

0.003

90

null

107.24

0.02

90

null

4,115.2

1.5

143

2

143

2

null

4

P 1 21/c 1

-P 2ybc

14

1-(3',5'-Bis-trifluoromethyl-phenyl)-8-(4"-methoxy-phenyl)-naphthalene

- C25 H16 F6 O -

- C200 H128 F48 O8 -

8

2

FG1206

Bahl, A.; Grahn, W.; Jones, P. G.

1-[3,5-Bis(trifluoromethyl)phenyl]-8-(4-methoxyphenyl)naphthalene: a Novel Three-Dimensional Non-Linear Optical Chromophore

Acta Crystallographica Section C

1,996

52

8

2014

2017

10.1107/S0108270196007834

0.71073

MoKα

0.0968

0.0535

null

0.1365

0.1027

null

1.078

1.076

null

has coordinates

Bahl, A.; Grahn, W.; Jones, P. G. 1-[3,5-Bis(trifluoromethyl)phenyl]-8-(4-methoxyphenyl)naphthalene: a Novel Three-Dimensional Non-Linear Optical Chromophore Acta Crystallographica Section C 52(8) (1996) 2014-2017

301,791

2025-08-18

23:15:27

#------------------------------------------------------------------------------ #$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/2/00/52/2005248.cif $ #-------------------------------------------------------------------...

4,322,194

10.0133

0.0015

23.364

0.003

16.599

0.003

90

null

98.217

0.001

90

null

3,843.5

1

200

2

200

2

null

5

P 1 21/n 1

-P 2yn

14

- C28 H67 N5 Si3 U -

- C112 H268 N20 Si12 U4 -

4

1

Paul Roussel; Nathaniel W. Alcock; Rita Boaretto; Andrew J. Kingsley; Ian J. Munslow; Christopher J. Sanders; Peter Scott

Complexes of Triamidoamines with the Early Actinides. Synthetic Routes to Monomeric Compounds of Tetravalent Uranium and Thorium Containing Halide and Amide Ligands

Inorganic Chemistry

1,999

38

3651

3656

10.1021/ic990563f

0.71073

MoKα

0.0944

0.0435

null

0.0918

0.0797

null

0.909

1.019

null

has coordinates

Paul Roussel; Nathaniel W. Alcock; Rita Boaretto; Andrew J. Kingsley; Ian J. Munslow; Christopher J. Sanders; Peter Scott Complexes of Triamidoamines with the Early Actinides. Synthetic Routes to Monomeric Compounds of Tetravalent Uranium and Thorium Containing Halide and Amide Ligands Inorganic Chemistry 38 (1999) 365...

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/4/32/21/4322194.cif $ #-------------------------------------------------------------------...

2,005,249

9.376

0.001

9.187

0.002

22.287

0.005

90

null

94.62

0.01

90

null

1,913.5

0.6

143

2

143

2

null

4

P 1 21/n 1

-P 2yn

14

Methyl-{4-[8-(4-trifluoromethyl-phenyl)-naphthalen-1-yl]-phenyl}-selane

- C24 H17 F3 Se -

- C96 H68 F12 Se4 -

4

1

FG1208

Bahl, A.; Grahn, W.; Jones, P. G.

Methyl {4-[8-(4-Trifluoromethylphenyl)naphthalen-1-yl]phenyl} Selenide

Acta Crystallographica Section C

1,996

52

8

2017

2020

10.1107/S0108270196007846

0.71073

MoKα

0.064

0.0492

null

0.1327

0.1132

null

1.038

1.03

null

has coordinates,has disorder

Bahl, A.; Grahn, W.; Jones, P. G. Methyl {4-[8-(4-Trifluoromethylphenyl)naphthalen-1-yl]phenyl} Selenide Acta Crystallographica Section C 52(8) (1996) 2017-2020

301,791

2025-08-18

23:15:27

#------------------------------------------------------------------------------ #$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/2/00/52/2005249.cif $ #-------------------------------------------------------------------...

2,005,250

11.815

0.003

19.334

0.002

8.839

0.002

90

null

90

null

90

null

2,019.1

0.7

294.2

null

294.2

null

6

P n a 21

P 2c -2n

33

- C11 H27 Cl2 Cu N5 O8 -

- C44 H108 Cl8 Cu4 N20 O32 -

4

1

FG1210

Dittler-Klingemann, A. M.; Hahn, F. E.; Orvig, C.; Rettig, S. J.

(Acetonitrile)[N,N-bis(3-aminopropyl)-1,3-propanediamine-N,N',N'',N''']copper(II) Diperchlorate

Acta Crystallographica Section C

1,996

52

8

1957

1959

10.1107/S0108270196007858

0.7107

MoKα

0.2274

0.0392

null

0.0473

0.0339

null

1.581

null

has coordinates

Dittler-Klingemann, A. M.; Hahn, F. E.; Orvig, C.; Rettig, S. J. (Acetonitrile)[N,N-bis(3-aminopropyl)-1,3-propanediamine-N,N',N'',N''']copper(II) Diperchlorate Acta Crystallographica Section C 52(8) (1996) 1957-1959

301,791

2025-08-18

23:15:27

#------------------------------------------------------------------------------ #$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/2/00/52/2005250.cif $ #-------------------------------------------------------------------...

2,005,251

14.605

0.003

9.877

0.002

7.569

0.001

90

null

92.44

0.02

90

null

1,090.9

0.3

293

2

293

2

null

5

P 1 21/a 1

-P 2yab

14

- C14 H30 N2 S4 Zn2 -

- C28 H60 N4 S8 Zn4 -

2

0.5

HU1091

Malik, M. A.; O'Brien, P.; Motevalli, M.

Bis(μ-diethyldithiocarbamato)-1κS,1:2κ^2^S';2κS,1:2κ^2^S'-bis(ethylzinc)

Acta Crystallographica Section C

1,996

52

8

1931

1933

10.1107/S0108270196002831

0.71069

MoKα

0.05

0.0337

null

0.0918

0.0886

null

1.024

1.138

null

has coordinates

Malik, M. A.; O'Brien, P.; Motevalli, M. Bis(μ-diethyldithiocarbamato)-1κS,1:2κ^2^S';2κS,1:2κ^2^S'-bis(ethylzinc) Acta Crystallographica Section C 52(8) (1996) 1931-1933

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/2/00/52/2005251.cif $ #-------------------------------------------------------------------...

2,005,252

9.387

0.0004

10.0616

0.0004

21.722

0.001

90

null

90

null

90

null

2,051.6

0.15

293

2

293

2

null

4

P 21 21 21

P 2ac 2ab

19

(1'R,2R,2'S,4"S)-3-(4"-Benzyl-oxazolidin-2"-one-3"-yl) -3-oxo-2-(2'-vinyl-cyclohexyl)-propionic acid methyl ester

- C22 H27 N O5 -

- C88 H108 N4 O20 -

4

1

JZ1097

Schäfer, M.; Herbst-Irmer, R.; Pohl, E.; Schünke, C.; Tietze, L. F.

(2R)-3-[(4S)-4-Benzyl-2-oxo-3-oxazolidinyl]-3-oxo-2-[(1R,2S)-2-vinylcyclohexyl]propionic Acid Methyl Ester and (2R)-3-[(4S)-4-Benzyl-2-oxo-3-oxazolidinyl]-3-oxo-2-[(1R,2S)-2-vinylcyclopentyl]propionic Acid Methyl Ester

Acta Crystallographica Section C

1,996

52

8

2029

2032

10.1107/S010827019600159X

1.54178

CuKα

0.0491

0.0429

null

0.1122

0.1072

null

1.044

1.064

null

has coordinates

Schäfer, M.; Herbst-Irmer, R.; Pohl, E.; Schünke, C.; Tietze, L. F. (2R)-3-[(4S)-4-Benzyl-2-oxo-3-oxazolidinyl]-3-oxo-2-[(1R,2S)-2-vinylcyclohexyl]propionic Acid Methyl Ester and (2R)-3-[(4S)-4-Benzyl-2-oxo-3-oxazolidinyl]-3-oxo-2-[(1R,2S)-2-vinylcyclopentyl]propi...

301,791

2025-08-18

23:15:27

#------------------------------------------------------------------------------ #$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/2/00/52/2005252.cif $ #-------------------------------------------------------------------...

2,005,253

9.272

0.005

9.699

0.002

21.21

0.006

90

null

90

null

90

null

1,907.4

1.2

153

2

153

2

null

4

P 21 21 21

P 2ac 2ab

19

(1'R,2R,2'S,4''S)-3-(4''-Benzyl-oxazolidin-2''-one-3''-yl) -3-oxo-2-(2'-vinyl-cyclopentyl)-propionic acid methyl ester

- C21 H25 N O5 -

- C84 H100 N4 O20 -

4

1

JZ1097

Schäfer, M.; Herbst-Irmer, R.; Pohl, E.; Schünke, C.; Tietze, L. F.

(2R)-3-[(4S)-4-Benzyl-2-oxo-3-oxazolidinyl]-3-oxo-2-[(1R,2S)-2-vinylcyclohexyl]propionic Acid Methyl Ester and (2R)-3-[(4S)-4-Benzyl-2-oxo-3-oxazolidinyl]-3-oxo-2-[(1R,2S)-2-vinylcyclopentyl]propionic Acid Methyl Ester

Acta Crystallographica Section C

1,996

52

8

2029

2032

10.1107/S010827019600159X

0.71073

MoKα

0.0495

0.0415

null

0.1072

0.0979

null

1.079

1.042

null

has coordinates

Schäfer, M.; Herbst-Irmer, R.; Pohl, E.; Schünke, C.; Tietze, L. F. (2R)-3-[(4S)-4-Benzyl-2-oxo-3-oxazolidinyl]-3-oxo-2-[(1R,2S)-2-vinylcyclohexyl]propionic Acid Methyl Ester and (2R)-3-[(4S)-4-Benzyl-2-oxo-3-oxazolidinyl]-3-oxo-2-[(1R,2S)-2-vinylcyclopentyl]propi...

301,791

2025-08-18

23:15:27

#------------------------------------------------------------------------------ #$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/2/00/52/2005253.cif $ #-------------------------------------------------------------------...

2,005,254

9.364

0.001

10.457

0.001

11.311

0.002

71.47

0.01

76.13

0.01

75.27

0.01

1,000.3

0.2

170

2

170

2

null

3

P -1

-P 1

2

Dicyano[7,7-dimethyl-2,5-di-p-tolyl-3,4-diazabicyclo[4.1.0] hept-2,4-diene-3-ium-3-yl]methanide

- C24 H22 N4 -

- C48 H44 N8 -

2

1

JZ1114

Breu, J.; Range, K.-J.; Riebel, P.; Weber, A.; Sauer, J.

Dicyano(7,7-dimethyl-2,5-di-p-tolyl-3,4-diazabicyclo[4.1.0]hepta-2,4-dien-3-ium-3-yl)methanide and (4-Benzoyl-5,5-dimethyl-2-phenyl-1-azacyclopenta-1,3-dien-1-ium-1-yl)dicyanomethanide, Two Stable Azomethine Ylides

Acta Crystallographica Section C

1,996

52

8

2053

2056

10.1107/S0108270196001084

0.71069

MoKα

0.144

0.0574

null

0.1442

0.0947

null

0.97

1.392

null

has coordinates

Breu, J.; Range, K.-J.; Riebel, P.; Weber, A.; Sauer, J. Dicyano(7,7-dimethyl-2,5-di-p-tolyl-3,4-diazabicyclo[4.1.0]hepta-2,4-dien-3-ium-3-yl)methanide and (4-Benzoyl-5,5-dimethyl-2-phenyl-1-azacyclopenta-1,3-dien-1-ium-1-yl)dicyanomethanide, Two Stable Azomethine Ylides Acta Crystallographica Section C 52(8) (1...

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/2/00/52/2005254.cif $ #-------------------------------------------------------------------...

4,322,193

9.7632

0.001

22.5063

0.001

16.0909

0.0015

90

null

97.772

0.005

90

null

3,503.2

0.5

180

2

180

2

null

6

P 1 21/n 1

-P 2yn

14

- C24 H57 I N4 Si3 U -

- C96 H228 I4 N16 Si12 U4 -

4

1

Paul Roussel; Nathaniel W. Alcock; Rita Boaretto; Andrew J. Kingsley; Ian J. Munslow; Christopher J. Sanders; Peter Scott

Complexes of Triamidoamines with the Early Actinides. Synthetic Routes to Monomeric Compounds of Tetravalent Uranium and Thorium Containing Halide and Amide Ligands

Inorganic Chemistry

1,999

38

3651

3656

10.1021/ic990563f

0.71073

MoKα

0.081

0.0496

null

0.1086

0.1029

null

0.813

1.02

null

has coordinates

Paul Roussel; Nathaniel W. Alcock; Rita Boaretto; Andrew J. Kingsley; Ian J. Munslow; Christopher J. Sanders; Peter Scott Complexes of Triamidoamines with the Early Actinides. Synthetic Routes to Monomeric Compounds of Tetravalent Uranium and Thorium Containing Halide and Amide Ligands Inorganic Chemistry 38 (1999) 365...

179,324

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:22:11 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179324 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/21/4322193.cif $ #-------------------------------------------------------------------...

2,005,255

8.978

0.001

9.367

0.001

12.043

0.002

76.54

0.01

76.58

0.01

63.662

0.009

873

0.2

170

2

170

2

null

4

P -1

-P 1

2

Dicyano[4-benzoyl-5,5-dimethyl-2-phenyl-1-azacyclopenta-1,3-diene-1-ium-1-yl] methanide

- C22 H17 N3 O -

- C44 H34 N6 O2 -

2

1

JZ1114

Breu, J.; Range, K.-J.; Riebel, P.; Weber, A.; Sauer, J.

Dicyano(7,7-dimethyl-2,5-di-p-tolyl-3,4-diazabicyclo[4.1.0]hepta-2,4-dien-3-ium-3-yl)methanide and (4-Benzoyl-5,5-dimethyl-2-phenyl-1-azacyclopenta-1,3-dien-1-ium-1-yl)dicyanomethanide, Two Stable Azomethine Ylides

Acta Crystallographica Section C

1,996

52

8

2053

2056

10.1107/S0108270196001084

0.71069

MoKα

0.0638

0.0329

null

0.0714

0.0652

null

0.839

0.969

null

has coordinates

Breu, J.; Range, K.-J.; Riebel, P.; Weber, A.; Sauer, J. Dicyano(7,7-dimethyl-2,5-di-p-tolyl-3,4-diazabicyclo[4.1.0]hepta-2,4-dien-3-ium-3-yl)methanide and (4-Benzoyl-5,5-dimethyl-2-phenyl-1-azacyclopenta-1,3-dien-1-ium-1-yl)dicyanomethanide, Two Stable Azomethine Ylides Acta Crystallographica Section C 52(8) (1...

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/2/00/52/2005255.cif $ #-------------------------------------------------------------------...

2,005,256

7.646

0.004

7.646

0.004

26.29

0.01

90

null

90

null

120

null

1,331

1.1

293

2

293

2

null

3

R -3 m :H

-R 3 2"

166

- Cl7 Cs4 Yb -

- Cl7.02 Cs4 Yb -

- Cl21.06 Cs12 Yb3 -

3

0.083333

JZ1121

Reuter, G.; Sebastian, J.; Frenzen, G.

Tetracaesium Ytterbium Heptachloride with Partly Disordered Chloride Ions

Acta Crystallographica Section C

1,996

52

8

1859

1862

10.1107/S0108270196003137

0.71073

MoKα

0.0409

0.0395

null

0.0921

0.0914

null

1.27

1.272

null

has coordinates

Reuter, G.; Sebastian, J.; Frenzen, G. Tetracaesium Ytterbium Heptachloride with Partly Disordered Chloride Ions Acta Crystallographica Section C 52(8) (1996) 1859-1862

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/2/00/52/2005256.cif $ #-------------------------------------------------------------------...

2,005,257

14.0585

0.0009

7.6504

0.0004

18.655

0.001

90

null

93.599

0.006

90

null

2,002.4

0.2

293

2

293

2

null

6

C 1 2/c 1

-C 2yc

15

Diiodo-bis(nicotinamide-N^1^-acetato)zinc(II)

- C16 H16 I2 N4 O6 Zn -

- C64 H64 I8 N16 O24 Zn4 -

4

0.5

JZ1127

Zelenák, V.; Györyová, K.; Císarová, I.; Loub, J.

Diiodobis(nicotinamide-N^1^-acetate-O)zinc(II)

Acta Crystallographica Section C

1,996

52

8

1917

1919

10.1107/S0108270196004295

0.71069

MoKα

0.0221

0.0208

null

0.0537

0.0531

null

1.113

1.126

null

has coordinates

Zelenák, V.; Györyová, K.; Císarová, I.; Loub, J. Diiodobis(nicotinamide-N^1^-acetate-O)zinc(II) Acta Crystallographica Section C 52(8) (1996) 1917-1919

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/2/00/52/2005257.cif $ #-------------------------------------------------------------------...

2,005,258

7.345

0.003

10.532

0.003

15.129

0.004

102

0.02

100.16

0.02

80.99

0.03

1,118

0.6

293

null

4

P 1

1

- C26 H31 N O3 -

- C26 H29 N O3 -

- C52 H58 N2 O6 -

2

KA1137

Stankovic, S.; Lazar, D.; Miljkovic, D.; Medic-Mijacevic, L.; Gasi, K.; Kovacevic, R.; Courseille, C.

17α-Benzyl-17β-hydroxy-16-hydroxyimino-3-methoxyestra-1,3,5(10)-triene

Acta Crystallographica Section C

1,996

52

8

2037

2040

10.1107/S0108270195011309

1.54184

CuKα

null

0.067

null

0.068

null

2.42

null

has coordinates

Stankovic, S.; Lazar, D.; Miljkovic, D.; Medic-Mijacevic, L.; Gasi, K.; Kovacevic, R.; Courseille, C. 17α-Benzyl-17β-hydroxy-16-hydroxyimino-3-methoxyestra-1,3,5(10)-triene Acta Crystallographica Section C 52(8) (1996) 2037-2040

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/2/00/52/2005258.cif $ #-------------------------------------------------------------------...

2,005,259

12.032

0.001

7.742

0.001

15.148

0.001

90

null

90.92

0.01

90

null

1,410.9

0.2

296

null

3

P 1 21 1

P 2yb

4

- C32 H52 O2 -

- C64 H104 O4 -

2

1

KA1168

Kiyotani, T.; Kitajima, J.; Tanaka, Y.; Ageta, H.

Rhoiptelenyl Acetate, a New Pentacyclic Triterpenoid from Ficus thunbergii

Acta Crystallographica Section C

1,996

52

8

2024

2026

10.1107/S0108270196001588

0.71073

MoKα

null

0.056

null

0.049

null

1.38

null

has coordinates

Kiyotani, T.; Kitajima, J.; Tanaka, Y.; Ageta, H. Rhoiptelenyl Acetate, a New Pentacyclic Triterpenoid from Ficus thunbergii Acta Crystallographica Section C 52(8) (1996) 2024-2026

301,791

2025-08-18

23:15:27

#------------------------------------------------------------------------------ #$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/2/00/52/2005259.cif $ #-------------------------------------------------------------------...

2,005,260

5.432

0.001

3.769

0.001

21.959

0.004

90

null

95.66

0.03

90

null

447.38

0.17

293

2

293

2

null

4

P 1 21/n 1

-P 2yn

14

- C2 H12 N8 O4 -

- C2 H14 N8 O4 -

- C4 H28 N16 O8 -

2

0.5

KA1171

Bircher, H.-R.; Ochsenbein, P.; Hauser, J.; Bürgi, H.-B.

Bis(hydrazinium) N,N'-Dinitroethylenediaminate(2 ‒)

Acta Crystallographica Section C

1,996

52

8

2002

2004

10.1107/S0108270196002521

0.71073

MoKα

0.0482

0.0318

null

0.1006

0.0897

null

1.034

1.073

null

has coordinates

Bircher, H.-R.; Ochsenbein, P.; Hauser, J.; Bürgi, H.-B. Bis(hydrazinium) N,N'-Dinitroethylenediaminate(2 ‒) Acta Crystallographica Section C 52(8) (1996) 2002-2004

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/2/00/52/2005260.cif $ #-------------------------------------------------------------------...

2,005,261

8.481

0.002

7.584

0.002

14.917

0.003

90

null

100.6

0.2

90

null

943.1

0.7

293

2

293

2

null

4

P 1 21/c 1

-P 2ybc

14

(4,6-Dichloro-[1,3,5]triazin-2-ylethynyl)-dimethyl-amine

- C7 H6 Cl2 N4 -

- C28 H24 Cl8 N16 -

4

1

KA1174

Wilhelm, P.; Boss, C.; Pfammatter, M.; Thommen, M.; Ploom, T.; Schauder, S.; Berger, U.; Vanhelmont, F.; Förtsch, M.; Hauser, J.; Bürgi, H.-B.

(4,6-Dichloro-1,3,5-triazin-2-ylethynyl)dimethylamine

Acta Crystallographica Section C

1,996

52

8

2004

2006

10.1107/S0108270196002545

0.71069

MoKα

0.0715

0.0308

null

0.0876

0.0797

null

1.014

1.153

null

has coordinates

Wilhelm, P.; Boss, C.; Pfammatter, M.; Thommen, M.; Ploom, T.; Schauder, S.; Berger, U.; Vanhelmont, F.; Förtsch, M.; Hauser, J.; Bürgi, H.-B. (4,6-Dichloro-1,3,5-triazin-2-ylethynyl)dimethylamine Acta Crystallographica Section C 52(8) (1996) 2004-2006

301,791

2025-08-18

23:15:27

#------------------------------------------------------------------------------ #$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/2/00/52/2005261.cif $ #-------------------------------------------------------------------...

2,005,262

11.773

0.003

11.408

0.001

14.83

0.003

90

null

112.32

0.02

90

null

1,842.5

0.7

298

null

5

P 1 21/c 1

-P 2ybc

14

- C19 H23 N3 O S -

- C76 H92 N12 O4 S4 -

4

1

KA1178

Sudha, L.; Selvan, J. S.; Subramanian, K.; Steiner, Th.; Koellner, G.; Srinivasan, N.; Ramdas, K.

1,3-Bis(2-methylphenyl)-2-(4-morpholino)isothiourea

Acta Crystallographica Section C

1,996

52

8

2047

2049

10.1107/S0108270196002429

1.54184

CuKα

null

0.058

null

0.175

0.141

null

1.138

null

has coordinates

Sudha, L.; Selvan, J. S.; Subramanian, K.; Steiner, Th.; Koellner, G.; Srinivasan, N.; Ramdas, K. 1,3-Bis(2-methylphenyl)-2-(4-morpholino)isothiourea Acta Crystallographica Section C 52(8) (1996) 2047-2049

301,791

2025-08-18

23:15:27

#------------------------------------------------------------------------------ #$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/2/00/52/2005262.cif $ #-------------------------------------------------------------------...

2,005,263

6.41

0.003

13.34

0.004

23.851

0.005

90

null

90

null

90

null

2,039.5

1.2

293

2

293

2

null

3

P 21 21 21

P 2ac 2ab

19

β-Estradiol 3-benzoate

(17β)-Estra-1,3,5(10)-triene-3,17-diol 3-benzoate

- C25 H28 O3 -

- C100 H112 O12 -

4

1

KA1186

Bolaños-García, V. M.; Juárez-Martínez, G.; Panneerselvam, K.; Soriano-García, M.

17β-Estradiol 3-Benzoate

Acta Crystallographica Section C

1,996

52

8

1997

2000

10.1107/S0108270196002752

1.54178

CuKα

0.0369

0.0348

null

0.0958

0.0936

null

1.039

1.052

null

has coordinates

Bolaños-García, V. M.; Juárez-Martínez, G.; Panneerselvam, K.; Soriano-García, M. 17β-Estradiol 3-Benzoate Acta Crystallographica Section C 52(8) (1996) 1997-2000

301,791

2025-08-18

23:15:27

#------------------------------------------------------------------------------ #$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/2/00/52/2005263.cif $ #-------------------------------------------------------------------...

4,322,192

29.923

0.006

23.872

0.005

20.837

0.004

90

null

107.81

0.03

90

null

14,171

5

180

2

180

2

null

6

P 1 21/c 1

-P 2ybc

14

- C24 H57 Br N4 Si3 U -

- C384 H912 Br16 N64 Si48 U16 -

16

4

Paul Roussel; Nathaniel W. Alcock; Rita Boaretto; Andrew J. Kingsley; Ian J. Munslow; Christopher J. Sanders; Peter Scott

Complexes of Triamidoamines with the Early Actinides. Synthetic Routes to Monomeric Compounds of Tetravalent Uranium and Thorium Containing Halide and Amide Ligands

Inorganic Chemistry

1,999

38

3651

3656

10.1021/ic990563f

0.71073

MoKα

0.1547

0.0764

null

0.22

0.1867

null

1.125

1.335

null

has coordinates

Paul Roussel; Nathaniel W. Alcock; Rita Boaretto; Andrew J. Kingsley; Ian J. Munslow; Christopher J. Sanders; Peter Scott Complexes of Triamidoamines with the Early Actinides. Synthetic Routes to Monomeric Compounds of Tetravalent Uranium and Thorium Containing Halide and Amide Ligands Inorganic Chemistry 38 (1999) 365...

179,324

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:22:11 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179324 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/21/4322192.cif $ #-------------------------------------------------------------------...

2,005,264

7.665

0.001

14.816

0.001

13.237

0.001

90

null

93.83

0.001

90

null

1,499.9

0.2

296

2

296

2

null

4

P 1 21 1

P 2yb

4

1-phenyl-2-(propyl-amino)-penthane

- C14 H24 Cl N -

- C56 H96 Cl4 N4 -

4

2

KA1192

Simon, K.; Harmat, V.; Török, Z.; Böcskei, Z.; Hermecz, I.

1-Phenyl-2-(propylamino)pentane, a Memory Enhancer

Acta Crystallographica Section C

1,996

52

8

2090

2092

10.1107/S0108270196005148

1.5418

CuKα

0.1074

0.0528

null

0.1654

0.1568

null

1.024

1.207

null

has coordinates

Simon, K.; Harmat, V.; Török, Z.; Böcskei, Z.; Hermecz, I. 1-Phenyl-2-(propylamino)pentane, a Memory Enhancer Acta Crystallographica Section C 52(8) (1996) 2090-2092

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/2/00/52/2005264.cif $ #-------------------------------------------------------------------...

2,005,265

10.303

0.002

23.585

0.003

5.335

0.003

90

null

90

null

90

null

1,296.4

0.8

293

2

293

2

null

6

P 21 21 21

P 2ac 2ab

19

trimethylsilyl N-p-bromo phenyl carbamate

- C10 H14 Br N O2 Si -

- C40 H56 Br4 N4 O8 Si4 -

4

1

KA1195

Böcskei, Z.; Rohonczy, J.; Szalay, R.; Knausz, D.

Two N-Aryl-Substituted Silyl Carbamates

Acta Crystallographica Section C

1,996

52

8

2063

2066

10.1107/S0108270196006439

1.54178

CuKα

0.0743

0.0417

null

0.1257

0.0985

null

1.098

1.06

null

has coordinates

Böcskei, Z.; Rohonczy, J.; Szalay, R.; Knausz, D. Two N-Aryl-Substituted Silyl Carbamates Acta Crystallographica Section C 52(8) (1996) 2063-2066

301,791

2025-08-18

23:15:27

#------------------------------------------------------------------------------ #$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/2/00/52/2005265.cif $ #-------------------------------------------------------------------...

2,005,266

18.508

0.005

6.24

0.009

28.128

0.006

90

null

94.57

0.02

90

null

3,238

5

293

2

293

2

null

5

C 1 c 1

C -2yc

9

trimethylsilyl N-phenyl N-tert-buthyl carbamate

- C14 H23 N O2 Si -

- C112 H184 N8 O16 Si8 -

8

2

KA1195

Böcskei, Z.; Rohonczy, J.; Szalay, R.; Knausz, D.

Two N-Aryl-Substituted Silyl Carbamates

Acta Crystallographica Section C

1,996

52

8

2063

2066

10.1107/S0108270196006439

1.54178

CuKα

0.1177

0.0434

null

0.1435

0.1027

null

1.082

1.093

null

has coordinates

Böcskei, Z.; Rohonczy, J.; Szalay, R.; Knausz, D. Two N-Aryl-Substituted Silyl Carbamates Acta Crystallographica Section C 52(8) (1996) 2063-2066

301,791

2025-08-18

23:15:27

#------------------------------------------------------------------------------ #$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/2/00/52/2005266.cif $ #-------------------------------------------------------------------...

2,005,267

8.398

0.002

9.858

0.002

12.781

0.003

94.89

0.01

103.94

0.02

113.36

0.02

923.2

0.4

293

2

293

2

null

3

P 1

1

β-zearalenol sesquihydrate

- C18 H27 O6.5 -

- C36 H54 O13 -

2

KA1204

Panneerselvam, K.; Rudiño-Piñera, E.; Soriano-García, M.

β-Zearalenol Sesquihydrate

Acta Crystallographica Section C

1,996

52

8

1995

1997

10.1107/S0108270196006415

1.54178

CuKα

0.0361

0.0342

null

0.091

0.0886

null

1.068

1.07

null

has coordinates

Panneerselvam, K.; Rudiño-Piñera, E.; Soriano-García, M. β-Zearalenol Sesquihydrate Acta Crystallographica Section C 52(8) (1996) 1995-1997

301,791

2025-08-18

23:15:27

#------------------------------------------------------------------------------ #$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/2/00/52/2005267.cif $ #-------------------------------------------------------------------...

2,005,268

11.364

0.002

8.485

0.002

9.868

0.002

90

null

109.24

0.03

90

null

898.4

0.4

296

null

4

P 1 21/c 1

-P 2ybc

14

- C4 H8 N8 O3 -

- C16 H32 N32 O12 -

4

1

KH1062

Dong, S.; Zhang, G.; Chen, B.; Ou, Y.; Jai, H.

A New Energetic Material: an Azidoethylamine Salt of Triazole

Acta Crystallographica Section C

1,996

52

8

2057

2058

10.1107/S0108270196004921

0.71073

MoKα

null

0.0501

null

0.0551

null

1.65

null

has coordinates

Dong, S.; Zhang, G.; Chen, B.; Ou, Y.; Jai, H. A New Energetic Material: an Azidoethylamine Salt of Triazole Acta Crystallographica Section C 52(8) (1996) 2057-2058

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/2/00/52/2005268.cif $ #-------------------------------------------------------------------...

2,005,269

8.387

0.008

12.111

0.002

12.619

0.002

111.27

0.02

102.06

0.03

99.81

0.05

1,124.7

1.2

296

null

4

P -1

-P 1

2

- C28 H25 Dy O -

- C56 H50 Dy2 O2 -

2

1

KH1066

Zhou, X.; Ma, H.; Wu, Z.; You, X.; Xu, Z.; Zhang, Y.; Huang, X.

Benzophenone Adduct of Tris(cyclopentadienyl)dysprosium

Acta Crystallographica Section C

1,996

52

8

1875

1877

10.1107/S0108270196002934

0.71073

MoKα

null

0.03

null

0.039

null

1.34

null

has coordinates

Zhou, X.; Ma, H.; Wu, Z.; You, X.; Xu, Z.; Zhang, Y.; Huang, X. Benzophenone Adduct of Tris(cyclopentadienyl)dysprosium Acta Crystallographica Section C 52(8) (1996) 1875-1877

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/2/00/52/2005269.cif $ #-------------------------------------------------------------------...

2,005,270

7.793

0.002

12.448

0.002

13.021

0.003

82.1

0.03

75.06

0.03

86.06

0.03

1,208.1

0.5

293

2

293

2

null

5

P -1

-P 1

2

bis (2-carboxyl-9-dihydroxymethyl-1,10-phenanthroline) copper(II) hydrate

- C28 H20 Cu N4 O9 -

- C56 H40 Cu2 N8 O18 -

2

1

KH1071

Sabel, D. M.; Thompson, J. A.; Butcher, R.; Smith, P. H.

2-Carboxy-9-dihydroxymethyl-1,10-phenanthroline Complexes of Cobalt(II) and Copper(II)

Acta Crystallographica Section C

1,996

52

8

1950

1954

10.1107/S010827019600443X

0.71073

MoKα

0.2333

0.1053

null

0.278

0.1202

null

3.6

null

has coordinates,has disorder

Sabel, D. M.; Thompson, J. A.; Butcher, R.; Smith, P. H. 2-Carboxy-9-dihydroxymethyl-1,10-phenanthroline Complexes of Cobalt(II) and Copper(II) Acta Crystallographica Section C 52(8) (1996) 1950-1954

200,176

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-09-05 13:46:42 +0300 (Tue, 05 Sep 2017) $ #$Revision: 200176 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/52/2005270.cif $ #-------------------------------------------------------------------...

2,005,271

7.778

0.002

12.219

0.002

12.93

0.003

83.24

0.03

75.71

0.03

86.45

0.03

1,181.9

0.5

203

2

203

2

null

5

P -1

-P 1

2

bis(2-carboxyl-9-dihydroxymethyl-1,10-phenanthroline) cobalt(II) hydrate

- C28 H20 Co N4 O9 -

- C56 H40 Co2 N8 O18 -

2

1

KH1071

Sabel, D. M.; Thompson, J. A.; Butcher, R.; Smith, P. H.

2-Carboxy-9-dihydroxymethyl-1,10-phenanthroline Complexes of Cobalt(II) and Copper(II)

Acta Crystallographica Section C

1,996

52

8

1950

1954

10.1107/S010827019600443X

0.71073

MoKα

0.1242

0.0644

null

0.1056

0.0868

null

1.14

null

has coordinates,has disorder

Sabel, D. M.; Thompson, J. A.; Butcher, R.; Smith, P. H. 2-Carboxy-9-dihydroxymethyl-1,10-phenanthroline Complexes of Cobalt(II) and Copper(II) Acta Crystallographica Section C 52(8) (1996) 1950-1954

301,791

2025-08-18

23:15:27

#------------------------------------------------------------------------------ #$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/2/00/52/2005271.cif $ #-------------------------------------------------------------------...

2,005,272

8.683

0.003

16.309

0.005

9.216

0.004

90

null

99.25

0.03

90

null

1,288.1

0.8

296

null

6

P 1 21 1

null

- C18 H41 Cl N4 O7 Zn -

- C36 H82 Cl2 N8 O14 Zn2 -

2

1

KH1072

H.-M. Hu; H.-S. Sun; X.-Z. You; X.-Y. Huang

(Acetato-O)(meso-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane-N,N',N'',N''')zinc(II) Perchlorate Monohydrate

Acta Crystallographica Section C

1,996

52

8

1946

1948

10.1107/S0108270196004945

0.71073

MoKα

null

0.034

null

0.044

null

1.47

null

has coordinates

H.-M. Hu; H.-S. Sun; X.-Z. You; X.-Y. Huang (Acetato-O)(meso-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane-N,N',N'',N''')zinc(II) Perchlorate Monohydrate Acta Crystallographica Section C 52(8) (1996) 1946-1948

301,791

2025-08-18

23:15:27

#------------------------------------------------------------------------------ #$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/2/00/52/2005272.cif $ #-------------------------------------------------------------------...

2,005,273

12.221

0.003

20.75

0.003

13.902

0.002

90

null

106.94

0.02

90

null

3,372.4

1.1

293

2

293

2

null

7

P 1 21/n 1

-P 2yn

14

Tetrachlorotin Bis(diphenylphosphonato)ferrocene.

- C34 H28 Cl4 Fe O2 P2 Sn -

- C136 H112 Cl16 Fe4 O8 P8 Sn4 -

4

1

KH1088

Yamin, B. M.; bin Shawkataly, O.; Fun, H.-K.; Sivakumar, K.

[1,1'-Bis(diphenylphosphonato-O)ferrocene]tetrachlorotin

Acta Crystallographica Section C

1,996

52

8

1966

1968

10.1107/S0108270196001758

0.71073

MoKα

0.0451

0.0331

null

0.0912

0.0865

null

0.98

1.052

null

has coordinates

Yamin, B. M.; bin Shawkataly, O.; Fun, H.-K.; Sivakumar, K. [1,1'-Bis(diphenylphosphonato-O)ferrocene]tetrachlorotin Acta Crystallographica Section C 52(8) (1996) 1966-1968

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/2/00/52/2005273.cif $ #-------------------------------------------------------------------...

2,005,274

10.845

0.001

7.773

0.001

24.018

0.001

90

null

97.37

0.01

90

null

2,007.9

0.3

299

null

299

null

4

P 1 21/c 1

-P 2ybc

14

(1R*,2R*)-2-[(S*)-1-benzyloxyethyl]-1-(1-[(Z)-(2,4-dinitrophenylhydrazono] ethyl)cyclopropane

- C20 H22 N4 O5 -

- C80 H88 N16 O20 -

4

1

KH1094

Ohba, S.

(1R*,2R*)-2-[(S*)-1-Benzyloxyethyl]-1-cyclopropyl Methyl Ketone (Z)-2,4-Dinitrophenylhydrazone

Acta Crystallographica Section C

1,996

52

8

2118

2119

10.1107/S0108270196004283

0.71073

MoKα

null

0.0566

null

0.0541

null

1.89

null

has coordinates

Ohba, S. (1R*,2R*)-2-[(S*)-1-Benzyloxyethyl]-1-cyclopropyl Methyl Ketone (Z)-2,4-Dinitrophenylhydrazone Acta Crystallographica Section C 52(8) (1996) 2118-2119

301,791

2025-08-18

23:15:27

#------------------------------------------------------------------------------ #$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/2/00/52/2005274.cif $ #-------------------------------------------------------------------...

4,322,191

22.7553

0.001

15.1678

0.001

22.7921

0.001

90

null

116.69

null

90

null

7,028.5

0.6

210

2

210

2

null

6

P 1 21 1

P 2yb

4

- C24 H57 Cl N4 Si3 U -

- C192 H456 Cl8 N32 Si24 U8 -

8

4

Paul Roussel; Nathaniel W. Alcock; Rita Boaretto; Andrew J. Kingsley; Ian J. Munslow; Christopher J. Sanders; Peter Scott

Complexes of Triamidoamines with the Early Actinides. Synthetic Routes to Monomeric Compounds of Tetravalent Uranium and Thorium Containing Halide and Amide Ligands

Inorganic Chemistry

1,999

38

3651

3656

10.1021/ic990563f

0.71073

MoKα

0.0738

0.0611

null

0.1574

0.1718

null

1.242

null

has coordinates

Paul Roussel; Nathaniel W. Alcock; Rita Boaretto; Andrew J. Kingsley; Ian J. Munslow; Christopher J. Sanders; Peter Scott Complexes of Triamidoamines with the Early Actinides. Synthetic Routes to Monomeric Compounds of Tetravalent Uranium and Thorium Containing Halide and Amide Ligands Inorganic Chemistry 38 (1999) 365...

179,324

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:22:11 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179324 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/21/4322191.cif $ #-------------------------------------------------------------------...

2,005,275

15.328

0.007

15.621

0.006

12.427

0.004

103.18

0.03

93.98

0.04

110.49

0.03

2,677

2

296

null

7

P -1

-P 1

2

- C18 H28 N2 O4 P2 S4 Zn -

- C20 H28 N2 O4 P2 S4 Zn -

- C80 H112 N8 O16 P8 S16 Zn4 -

4

2

MU1140

Zhu, D.-L.; Yu, Y.-P.; Guo, G.-C.; Zhuang, H.-H.; Huang, J.-S.; Liu, Q.; Xu, Z.; You, X.-Z.

catena-Poly[bis(O,O'-diethyldithiophosphato-S)zinc(II)-μ-4,4'-bipyridyl-N:N']

Acta Crystallographica Section C

1,996

52

8

1963

1966

10.1107/S010827019600368X

0.71073

MoKα

null

0.055

null

0.07

null

1.68

null

has coordinates

Zhu, D.-L.; Yu, Y.-P.; Guo, G.-C.; Zhuang, H.-H.; Huang, J.-S.; Liu, Q.; Xu, Z.; You, X.-Z. catena-Poly[bis(O,O'-diethyldithiophosphato-S)zinc(II)-μ-4,4'-bipyridyl-N:N'] Acta Crystallographica Section C 52(8) (1996) 1963-1966

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/2/00/52/2005275.cif $ #-------------------------------------------------------------------...

2,005,276

9.942

0.002

9.245

0.002

20.982

0.004

90

0.02

99.12

0.02

90

0.02

1,904.2

0.7

297

2

297

2

null

4

P 1 21/n 1

-P 2yn

14

Zinc-meso-tetra-p-tolylporphyrin

- C48 H36 N4 Zn -

- C96 H72 N8 Zn2 -

2

0.5

MU1248

Dastidar, P.; Goldberg, I.

Zinc‒meso-tetra-p-tolylporphyrin and its Chlorotoluene Channel-Type Clathrate with π‒π and C—H···π Interaction Modes Stabilizing the Porphyrin Host Lattice

Acta Crystallographica Section C

1,996

52

8

1976

1980

10.1107/S0108270196002338

0.7107

MoKα

0.0594

0.0473

null

0.1461

0.1352

null

1.012

1.034

null

has coordinates

Dastidar, P.; Goldberg, I. Zinc‒meso-tetra-p-tolylporphyrin and its Chlorotoluene Channel-Type Clathrate with π‒π and C—H···π Interaction Modes Stabilizing the Porphyrin Host Lattice Acta Crystallographica Section C 52(8) (1996) 1976-1980

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/2/00/52/2005276.cif $ #-------------------------------------------------------------------...

2,005,277

32.468

0.009

9.532

0.001

15.048

0.002

90

0.01

112.03

0.02

90

0.01

4,317.1

1.5

297

2

297

2

null

5

C 1 2/c 1

-C 2yc

15

zinc-meso-tetra-p-tolylporphyrin m-chlorotoluene solvate

- C55 H43 Cl N4 Zn -

- C48 H36 N4 Zn -

- C192 H144 N16 Zn4 -

4

0.5

MU1248

Dastidar, P.; Goldberg, I.

Zinc‒meso-tetra-p-tolylporphyrin and its Chlorotoluene Channel-Type Clathrate with π‒π and C—H···π Interaction Modes Stabilizing the Porphyrin Host Lattice

Acta Crystallographica Section C

1,996

52

8

1976

1980

10.1107/S0108270196002338

0.7107

MoKα

0.1391

0.0975

null

0.2834

0.2656

null

1.405

1.669

null

has coordinates

Dastidar, P.; Goldberg, I. Zinc‒meso-tetra-p-tolylporphyrin and its Chlorotoluene Channel-Type Clathrate with π‒π and C—H···π Interaction Modes Stabilizing the Porphyrin Host Lattice Acta Crystallographica Section C 52(8) (1996) 1976-1980

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/2/00/52/2005277.cif $ #-------------------------------------------------------------------...

2,005,278

6.397

0.001

10.405

0.001

12.347

0.001

69.78

0.01

85.58

0.01

78.77

0.01

756.37

0.16

293

2

293

2

null

7

P -1

-P 1

2

Bis(N,N'-dimethylthiourea)silver(I) Perchlorate.

- C6 H16 Ag Cl N4 O4 S2 -

- C6 H16 Ag Cl N4 O8 S2 -

- C12 H32 Ag2 Cl2 N8 O16 S4 -

2

1

MU1251

Pakawatchai, C.; Sivakumar, K.; Fun, H.-K.

Bis(N,N'-dimethylthiourea-S)silver(I) Perchlorate and Tris(N,N'-dimethylthiourea-S)silver(I) Perchlorate

Acta Crystallographica Section C

1,996

52

8

1954

1957

10.1107/S0108270196002971

0.71073

MoKα

0.046

0.0384

null

0.1148

0.1104

null

1.044

1.114

null

has coordinates

Pakawatchai, C.; Sivakumar, K.; Fun, H.-K. Bis(N,N'-dimethylthiourea-S)silver(I) Perchlorate and Tris(N,N'-dimethylthiourea-S)silver(I) Perchlorate Acta Crystallographica Section C 52(8) (1996) 1954-1957

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/2/00/52/2005278.cif $ #-------------------------------------------------------------------...

4,322,190

13.944

0.008

17.369

0.007

13.641

0.008

107.75

0.05

112.96

0.05

90.06

0.04

2,870

3

293

2

293

2

null

7

P -1

-P 1

2

- C42 H90 Li4 Mg N6 O10.5 S3 -

- C42 H86 Li4 Mg N6 O10.5 S3 -

- C84 H172 Li8 Mg2 N12 O21 S6 -

2

1

Justin K. Brask; Tristram Chivers; Masood Parvez; Glenn P. A. Yap

Assembly of a Heterobimetallic Diazasulfate Cluster via an Li4O4 Ladder

Inorganic Chemistry

1,999

38

3594

3595

10.1021/ic9903578

0.71069

MoKα

0.3878

0.0746

null

0.1714

0.2867

null

0.937

null

has coordinates,has disorder

Justin K. Brask; Tristram Chivers; Masood Parvez; Glenn P. A. Yap Assembly of a Heterobimetallic Diazasulfate Cluster via an Li4O4 Ladder Inorganic Chemistry 38 (1999) 3594-3595

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/4/32/21/4322190.cif $ #-------------------------------------------------------------------...

2,005,279

9.887

0.001

10.096

0.001

10.687

0.001

90.96

0.01

105.68

0.01

95.15

0.01

1,021.99

0.18

293

2

293

2

null

7

P -1

-P 1

2

Tris(N,N'-dimethylthiourea)silver(I) Perchlorate.

- C9 H24 Ag Cl N6 O4 S3 -

- C18 H48 Ag2 Cl2 N12 O8 S6 -

2

1

MU1251

Pakawatchai, C.; Sivakumar, K.; Fun, H.-K.

Bis(N,N'-dimethylthiourea-S)silver(I) Perchlorate and Tris(N,N'-dimethylthiourea-S)silver(I) Perchlorate

Acta Crystallographica Section C

1,996

52

8

1954

1957

10.1107/S0108270196002971

0.71073

MoKα

0.035

0.0318

null

0.0861

0.0844

null

1.08

1.118

null

has coordinates

Pakawatchai, C.; Sivakumar, K.; Fun, H.-K. Bis(N,N'-dimethylthiourea-S)silver(I) Perchlorate and Tris(N,N'-dimethylthiourea-S)silver(I) Perchlorate Acta Crystallographica Section C 52(8) (1996) 1954-1957

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/2/00/52/2005279.cif $ #-------------------------------------------------------------------...