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

2,012,660

10.922

0.003

10.226

0.002

11.725

0.002

90

null

104.64

0.02

90

null

1,267

0.5

296.2

null

296.2

null

5

P 1 n 1

P -2yac

7

- C21 H15 Ir3 Mo O11 -

- C42 H30 Ir6 Mo2 O22 -

2

1

TA1356

Lucas, Nigel T.; Whittall, Ian R.; Humphrey, Mark G.

Undecacarbonyl(methylcyclopentadienyl)-tetrahedro-triiridiummolybdenum, undecacarbonyl(tetramethylcyclopentadienyl)-tetrahedro-triiridiummolybdenum and undecacarbonyl(pentamethylcyclopentadienyl)-tetrahedro-triiridiummolybdenum

Acta Crystallographica Section C

2,002

58

4

m249

m251

10.1107/S0108270101020558

0.7107

MoKα

0.0209

0.0193

null

0.0226

null

0.0224

null

1.387

null

1.386

null

has coordinates

Lucas, Nigel T.; Whittall, Ian R.; Humphrey, Mark G. Undecacarbonyl(methylcyclopentadienyl)-tetrahedro-triiridiummolybdenum, undecacarbonyl(tetramethylcyclopentadienyl)-tetrahedro-triiridiummolybdenum and undecacarbonyl(pentamethylcyclopentadienyl)-tetrahedro-triiridiummolybdenum Acta Crystallograp...

176,435

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/26/2012660.cif $ #-------------------------------------------------------------------...

2,012,661

11.5797

0.0005

9.5007

0.0004

14.8683

0.0006

90

null

107.899

0.001

90

null

1,556.57

0.11

293

2

293

2

null

5

P 1 21/c 1

-P 2ybc

14

Triaqua(2,2'-bipyridine-κ^2^N,N')(nitrato-κO)manganese(II) nitrate

- C10 H14 Mn N4 O9 -

- C40 H56 Mn4 N16 O36 -

4

1

TA1358

Zhang, Xiaofeng; Huang, Deguang; Wang, Wenguo; Chen, Changneng; Liu, Qiutian

Triaqua(2,2'-bipyridine-κ^2^N,N')(nitrato-κO)manganese(II) nitrate

Acta Crystallographica Section C

2,002

58

4

m268

m269

10.1107/S0108270102003876

0.71073

MoKα

0.061

0.039

null

0.114

0.135

null

0.931

null

has coordinates,has Fobs

Zhang, Xiaofeng; Huang, Deguang; Wang, Wenguo; Chen, Changneng; Liu, Qiutian Triaqua(2,2'-bipyridine-κ^2^N,N')(nitrato-κO)manganese(II) nitrate Acta Crystallographica Section C 58(4) (2002) m268-m269

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/26/2012661.cif $ #-------------------------------------------------------------------...

2,012,662

8.5876

0.0006

11.7161

0.0009

13.8624

0.0011

73.531

0.007

74.745

0.006

69.59

0.006

1,232.44

0.17

301

2

null

5

P -1

-P 1

2

Trisaquatris(2,6-dinitrophenolato-κ^2^O^1^,O^2^)yttrium(III)

- C18 H15 N6 O18 Y -

- C36 H30 N12 O36 Y2 -

2

1

TA1359

Suh, Hong Ryol; Suh, Hyung Sock; Yun, Sock Sung; Lee, Eun Kwang; Kang, Sung Kwon

Triaquatris(2,6-dinitrophenolato-κ^2^O^1^,O^2^)yttrium(III)

Acta Crystallographica Section C

2,002

58

4

m202

m203

10.1107/S0108270102002822

0.71073

MoKα

null

0.056

null

0.103

null

0.998

null

has coordinates,has disorder,has Fobs

Suh, Hong Ryol; Suh, Hyung Sock; Yun, Sock Sung; Lee, Eun Kwang; Kang, Sung Kwon Triaquatris(2,6-dinitrophenolato-κ^2^O^1^,O^2^)yttrium(III) Acta Crystallographica Section C 58(4) (2002) m202-m203

200,215

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-09-06 13:27:28 +0300 (Wed, 06 Sep 2017) $ #$Revision: 200215 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/26/2012662.cif $ #-------------------------------------------------------------------...

2,012,663

10.3955

0.0006

9.7127

0.0008

7.1234

0.0004

90

null

105.236

0.006

90

null

693.96

0.08

293

2

293

2

null

6

P 1 21/c 1

-P 2ybc

14

Polymeric [ethylenediamine-cobalt(II)] molybdate(VI)

- C2 H8 Co Mo N2 O4 -

- C8 H32 Co4 Mo4 N8 O16 -

4

1

TA1361

Bi-Zhou Lin

Layered (ethylenediamine-κ^2^N,N')cobalt(II) molybdate(VI)

Acta Crystallographica Section C

2,002

58

4

m261

m263

10.1107/S0108270102003864

0.71069

MoKα

0.0261

0.0232

null

0.0533

0.0543

null

1.024

null

has coordinates,has Fobs

Bi-Zhou Lin Layered (ethylenediamine-κ^2^N,N')cobalt(II) molybdate(VI) Acta Crystallographica Section C 58(4) (2002) m261-m263

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/26/2012663.cif $ #-------------------------------------------------------------------...

2,012,664

22.247

0.008

6.888

0.002

15.211

0.004

90

null

93.07

0.01

90

null

2,327.5

1.2

298

2

298

2

null

6

C 1 2/c 1

-C 2yc

15

catena-Poly[[[diaquabis(5-chloropyridinium-2-olato-κO)copper(II)]-μ-pyrazine- κ^2^N:N'] diperchlorate]

- C14 H16 Cl4 Cu N4 O12 -

- C56 H64 Cl16 Cu4 N16 O48 -

4

0.5

TA1367

Yuan, Ji-Xin; Hu, Mao-Lin; Cheng, Ya-Qian; Chen, Li-Chun; Ng, Seik Weng

catena-Poly[[[diaquabis(5-chloropyridinium-2-olato-κO)copper(II)]-μ-pyrazine-κ^2^N:N'] diperchlorate]

Acta Crystallographica Section C

2,002

58

4

m270

m272

10.1107/S0108270102003852

0.71073

MoKα

0.0598

0.0433

null

0.1105

0.1216

null

1.024

null

has coordinates,has Fobs

Yuan, Ji-Xin; Hu, Mao-Lin; Cheng, Ya-Qian; Chen, Li-Chun; Ng, Seik Weng catena-Poly[[[diaquabis(5-chloropyridinium-2-olato-κO)copper(II)]-μ-pyrazine-κ^2^N:N'] diperchlorate] Acta Crystallographica Section C 58(4) (2002) m270-m272

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/26/2012664.cif $ #-------------------------------------------------------------------...

2,012,665

17.077

0.002

12.747

0.001

14.422

0.001

90

null

93.22

0.01

90

null

3,134.4

0.5

170

2

170

2

null

5

P 1 21/c 1

-P 2ybc

14

Bis(isoquinoline-1-carboxylato-κ^2^O,N)(1,10-phenanthroline-κ^2^N,N')zinc(II) dimethylformamide sesquisolvate

- C36.5 H30.5 N5.5 O5.5 Zn -

- C146 H122 N22 O22 Zn4 -

4

1

TR1009

Daran, Jean-Claude; Lemoine, Pascale; Viossat, Bernard

Bis(isoquinoline-1-carboxylato-κ^2^O,N)(1,10-phenanthroline-κ^2^N,N')zinc(II) dimethylformamide sesquisolvate

Acta Crystallographica Section C

2,002

58

4

m210

m212

10.1107/S0108270102001932

0.71073

MoKα

0.04

0.033

null

0.079

0.082

null

1.032

null

has coordinates,has disorder,has Fobs

Daran, Jean-Claude; Lemoine, Pascale; Viossat, Bernard Bis(isoquinoline-1-carboxylato-κ^2^O,N)(1,10-phenanthroline-κ^2^N,N')zinc(II) dimethylformamide sesquisolvate Acta Crystallographica Section C 58(4) (2002) m210-m212

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/26/2012665.cif $ #-------------------------------------------------------------------...

2,012,666

8.898

0.0002

19.3848

0.0005

17.5894

0.0003

90

null

92.302

0.001

90

null

3,031.48

0.12

200

2

200

2

null

6

C 1 2/c 1

-C 2yc

15

[P,P-Di-tert-butyl-N-trimethylsilyl-P-(trimethylsilylamino)phosphine imidato-κ^2^N,N']bis(pyridine-κN)lithium(I)

- C24 H46 Li N4 P Si2 -

- C96 H184 Li4 N16 P4 Si8 -

4

0.5

TR1011

Schultz, Madeleine; Straub, Bernd; Hofmann, Peter

[P,P-Di-tert-butyl-N-trimethylsilyl-P-(trimethylsilylamino)phosphine imidato-κ^2^N,N']bis(pyridine-κN)lithium(I)

Acta Crystallographica Section C

2,002

58

4

m256

m257

10.1107/S0108270102002706

0.71073

MoKα

0.088

0.053

null

0.125

0.144

null

1.052

null

has coordinates,has Fobs

Schultz, Madeleine; Straub, Bernd; Hofmann, Peter [P,P-Di-tert-butyl-N-trimethylsilyl-P-(trimethylsilylamino)phosphine imidato-κ^2^N,N']bis(pyridine-κN)lithium(I) Acta Crystallographica Section C 58(4) (2002) m256-m257

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/26/2012666.cif $ #-------------------------------------------------------------------...

2,012,667

6.7599

0.0003

13.3609

0.0008

19.024

0.0005

90

null

90

null

90

null

1,718.22

0.14

122

1

122

1

null

6

P 21 21 21

P 2ac 2ab

19

trans-Bis(cyano-κC)(1,4,8,11-tetraazacyclotetradecane-κ^4^N)manganese(III) perchlorate

- C12 H24 Cl Mn N6 O4 -

- C48 H96 Cl4 Mn4 N24 O16 -

4

1

TR1013

Mossin, Susanne; Sørensen, Henning Osholm; Weihe, Høgni

trans-Bis(cyano-κC)(1,4,8,11-tetraazacyclotetradecane-κ^4^N)manganese(III) perchlorate, a low-spin manganese(III) complex

Acta Crystallographica Section C

2,002

58

4

m204

m206

10.1107/S0108270102001713

0.71073

MoKα

0.072

0.058

null

0.148

0.159

null

1.072

null

has coordinates,has Fobs

Mossin, Susanne; Sørensen, Henning Osholm; Weihe, Høgni trans-Bis(cyano-κC)(1,4,8,11-tetraazacyclotetradecane-κ^4^N)manganese(III) perchlorate, a low-spin manganese(III) complex Acta Crystallographica Section C 58(4) (2002) m204-m206

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/26/2012667.cif $ #-------------------------------------------------------------------...

2,012,668

6.4567

0.0001

12.0271

0.0002

10.7163

0.0002

90

null

93.8719

0.0005

90

null

830.28

0.02

160

1

160

1

null

3

P 1 21/n 1

-P 2yn

14

dispiro[1,3-dithietane-2,2':4,2''-diadamantane]

- C20 H28 S2 -

- C40 H56 S4 -

2

0.5

TR1020

Linden, Anthony; Fu, Changchun; Majchrzak, Agnieszka; Mloston, Grzegorz; Heimgartner, Heinz

The dimer, trimer and 1,2,4-trithiolane of adamantanethione

Acta Crystallographica Section C

2,002

58

4

o231

o234

10.1107/S0108270102003190

0.71073

MoKα

0.0364

0.0306

null

0.0785

0.0814

null

1.094

null

has coordinates,has Fobs

Linden, Anthony; Fu, Changchun; Majchrzak, Agnieszka; Mloston, Grzegorz; Heimgartner, Heinz The dimer, trimer and 1,2,4-trithiolane of adamantanethione Acta Crystallographica Section C 58(4) (2002) o231-o234

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/26/2012668.cif $ #-------------------------------------------------------------------...

2,012,669

6.6436

0.0001

12.3102

0.0002

15.6057

0.0002

77.0671

0.0005

86.7263

0.0006

77.1671

0.0007

1,212.81

0.03

160

1

160

1

null

3

P -1

-P 1

2

trispiro[1,3,5-trithiane-2,2':4,2'':6,2'''-triadamantane]

- C30 H42 S3 -

- C60 H84 S6 -

2

1

TR1020

Linden, Anthony; Fu, Changchun; Majchrzak, Agnieszka; Mloston, Grzegorz; Heimgartner, Heinz

The dimer, trimer and 1,2,4-trithiolane of adamantanethione

Acta Crystallographica Section C

2,002

58

4

o231

o234

10.1107/S0108270102003190

0.71073

MoKα

0.0478

0.0348

null

0.0867

0.0937

null

1.051

null

has coordinates,has Fobs

Linden, Anthony; Fu, Changchun; Majchrzak, Agnieszka; Mloston, Grzegorz; Heimgartner, Heinz The dimer, trimer and 1,2,4-trithiolane of adamantanethione Acta Crystallographica Section C 58(4) (2002) o231-o234

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/26/2012669.cif $ #-------------------------------------------------------------------...

2,012,670

13.3264

0.0002

11.5166

0.0001

12.9233

0.0001

90

null

116.064

0.0005

90

null

1,781.69

0.03

160

1

160

1

null

3

P 1 21/c 1

-P 2ybc

14

dispiro[1,2,4-trithiolane-3,2':5,2''-diadamantane]

- C20 H28 S3 -

- C80 H112 S12 -

4

1

TR1020

Linden, Anthony; Fu, Changchun; Majchrzak, Agnieszka; Mloston, Grzegorz; Heimgartner, Heinz

The dimer, trimer and 1,2,4-trithiolane of adamantanethione

Acta Crystallographica Section C

2,002

58

4

o231

o234

10.1107/S0108270102003190

0.71073

MoKα

0.0495

0.0358

null

0.0896

0.0969

null

1.042

null

has coordinates,has Fobs

Linden, Anthony; Fu, Changchun; Majchrzak, Agnieszka; Mloston, Grzegorz; Heimgartner, Heinz The dimer, trimer and 1,2,4-trithiolane of adamantanethione Acta Crystallographica Section C 58(4) (2002) o231-o234

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/26/2012670.cif $ #-------------------------------------------------------------------...

2,012,671

7.2186

0.0001

5.3462

0.0002

6.2521

0.0003

90

null

98.8352

0.0011

90

null

238.419

0.015

270

2

270

2

null

4

P 1 21/c 1

-P 2ybc

14

Copper(II) Hypophosphite

- Cu H4 O4 P2 -

- Cu2 H8 O8 P4 -

2

0.5

AV1101

Naumov, Dmitry Yu.; Naumova, Marina I.; Kuratieva, Natalia V.; Boldyreva, Elena V.; Howard, Judith A. K.

Copper(II) hypophosphite: the α- and β-forms at 270 and 100K, and the γ-form at 270K

Acta Crystallographica Section C

2,002

58

5

i55

i60

10.1107/S0108270102005176

0.71073

MoKα

0.0355

0.0308

null

0.0658

0.0676

null

1.179

null

has coordinates,has Fobs

Naumov, Dmitry Yu.; Naumova, Marina I.; Kuratieva, Natalia V.; Boldyreva, Elena V.; Howard, Judith A. K. Copper(II) hypophosphite: the α- and β-forms at 270 and 100K, and the γ-form at 270K Acta Crystallographica Section C 58(5) (2002) i55-i60

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/26/2012671.cif $ #-------------------------------------------------------------------...

2,012,672

7.2079

0.0003

5.3216

0.0001

6.2121

0.0002

90

null

98.709

0.002

90

null

235.534

0.013

100

2

100

2

null

4

P 1 21/c 1

-P 2ybc

14

Copper(II) Hypophosphite

- Cu H4 O4 P2 -

- Cu2 H8 O8 P4 -

2

0.5

AV1101

Naumov, Dmitry Yu.; Naumova, Marina I.; Kuratieva, Natalia V.; Boldyreva, Elena V.; Howard, Judith A. K.

Copper(II) hypophosphite: the α- and β-forms at 270 and 100K, and the γ-form at 270K

Acta Crystallographica Section C

2,002

58

5

i55

i60

10.1107/S0108270102005176

0.71073

MoKα

0.0297

0.0269

null

0.0611

0.0622

null

1.179

null

has coordinates,has Fobs

Naumov, Dmitry Yu.; Naumova, Marina I.; Kuratieva, Natalia V.; Boldyreva, Elena V.; Howard, Judith A. K. Copper(II) hypophosphite: the α- and β-forms at 270 and 100K, and the γ-form at 270K Acta Crystallographica Section C 58(5) (2002) i55-i60

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/26/2012672.cif $ #-------------------------------------------------------------------...

2,012,673

5.3259

0.0002

6.272

0.0002

14.259

0.0006

90

null

90

null

90

null

476.31

0.03

270

2

270

2

null

4

P b c a

-P 2ac 2ab

61

Copper(II) Hypophosphite

- Cu H4 O4 P2 -

- Cu4 H16 O16 P8 -

4

0.5

AV1101

Naumov, Dmitry Yu.; Naumova, Marina I.; Kuratieva, Natalia V.; Boldyreva, Elena V.; Howard, Judith A. K.

Copper(II) hypophosphite: the α- and β-forms at 270 and 100K, and the γ-form at 270K

Acta Crystallographica Section C

2,002

58

5

i55

i60

10.1107/S0108270102005176

0.71073

MoKα

0.0281

0.0238

null

0.0572

0.0589

null

1.273

null

has coordinates,has Fobs

Naumov, Dmitry Yu.; Naumova, Marina I.; Kuratieva, Natalia V.; Boldyreva, Elena V.; Howard, Judith A. K. Copper(II) hypophosphite: the α- and β-forms at 270 and 100K, and the γ-form at 270K Acta Crystallographica Section C 58(5) (2002) i55-i60

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/26/2012673.cif $ #-------------------------------------------------------------------...

2,012,674

5.3014

0.0002

6.2319

0.0002

14.2427

0.0002

90

null

90

null

90

null

470.55

0.02

100

2

100

2

null

4

P b c a

-P 2ac 2ab

61

Copper(II) Hypophosphite

- Cu H4 O4 P2 -

- Cu4 H16 O16 P8 -

4

0.5

AV1101

Naumov, Dmitry Yu.; Naumova, Marina I.; Kuratieva, Natalia V.; Boldyreva, Elena V.; Howard, Judith A. K.

Copper(II) hypophosphite: the α- and β-forms at 270 and 100K, and the γ-form at 270K

Acta Crystallographica Section C

2,002

58

5

i55

i60

10.1107/S0108270102005176

0.71073

MoKα

0.0288

0.0277

null

0.0614

0.0617

null

1.288

null

has coordinates

Naumov, Dmitry Yu.; Naumova, Marina I.; Kuratieva, Natalia V.; Boldyreva, Elena V.; Howard, Judith A. K. Copper(II) hypophosphite: the α- and β-forms at 270 and 100K, and the γ-form at 270K Acta Crystallographica Section C 58(5) (2002) i55-i60

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/26/2012674.cif $ #-------------------------------------------------------------------...

2,012,675

6.6738

0.0006

5.4133

0.0005

7.1954

0.0006

90

null

90

null

90

null

259.95

0.04

270

2

270

2

null

4

P m m a

-P 2a 2a

51

Copper(II) Hypophosphite

- Cu H4 O4 P2 -

- Cu2 H8 O8 P4 -

2

0.25

AV1101

Naumov, Dmitry Yu.; Naumova, Marina I.; Kuratieva, Natalia V.; Boldyreva, Elena V.; Howard, Judith A. K.

Copper(II) hypophosphite: the α- and β-forms at 270 and 100K, and the γ-form at 270K

Acta Crystallographica Section C

2,002

58

5

i55

i60

10.1107/S0108270102005176

0.71073

MoKα

0.0511

0.0331

null

0.0418

0.0452

null

1.1

null

has coordinates,has Fobs

Naumov, Dmitry Yu.; Naumova, Marina I.; Kuratieva, Natalia V.; Boldyreva, Elena V.; Howard, Judith A. K. Copper(II) hypophosphite: the α- and β-forms at 270 and 100K, and the γ-form at 270K Acta Crystallographica Section C 58(5) (2002) i55-i60

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/26/2012675.cif $ #-------------------------------------------------------------------...

2,012,676

9.9

0.002

9.33

0.002

17.01

0.003

90

null

90.23

0.02

90

null

1,571.2

0.5

293

2

293

null

6

P 1 21/c 1

-P 2ybc

14

5,5-Dimethyl-2-[6-methyl-2-(methylsulfanyl)pyrimidin-4-yloxy]- 1,3,2-dioxaphosphorinane-2-thione

- C11 H17 N2 O3 P S2 -

- C44 H68 N8 O12 P4 S8 -

4

1

AV1105

Pop, Mihaela; Borodi, Gheorghe; Goubitz, Kees; Peschar, René; Fraanje, Jan; Fenesan, Ioan; Schenk, Henk

5,5-Dimethyl-2-[6-methyl-2-(methylsulfanyl)pyrimidin-4-yloxy]-1,3,2-dioxaphosphorinane-2-thione

Acta Crystallographica Section C

2,002

58

5

o280

o281

10.1107/S0108270102005218

1.5418

CuKα

0.069

0.059

null

0.145

0.154

null

1.067

null

has coordinates,has Fobs

Pop, Mihaela; Borodi, Gheorghe; Goubitz, Kees; Peschar, René; Fraanje, Jan; Fenesan, Ioan; Schenk, Henk 5,5-Dimethyl-2-[6-methyl-2-(methylsulfanyl)pyrimidin-4-yloxy]-1,3,2-dioxaphosphorinane-2-thione Acta Crystallographica Section C 58(5) (2002) o280-o281

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/26/2012676.cif $ #-------------------------------------------------------------------...

2,012,677

18.581

0.0005

12.5906

0.0004

7.4709

0.0002

90

null

94.645

0.001

90

null

1,742.05

0.09

233

2

233

2

null

6

P 1 21/c 1

-P 2ybc

14

1-Acetyl-3'-(4-bromophenyl)-3'-chlorospiro[1H-indole-3,2'-oxetan]-2(3H)-one

- C18 H13 Br Cl N O3 -

- C72 H52 Br4 Cl4 N4 O12 -

4

1

AV1106

Usman, Anwar; Razak, Ibrahim Abdul; Fun, Hoong-Kun; Chantrapromma, Suchada; Zhang, Yan; Xu, Jian-Hua

1-Acetyl-3'-(4-bromophenyl)-3'-chlorospiro[3H-indole-3,2'-oxetan]-2(1H)-one

Acta Crystallographica Section C

2,002

58

5

o287

o288

10.1107/S0108270102005681

0.71073

MoKα

0.097

0.05

null

0.11

0.12

null

0.812

null

has coordinates,has Fobs

Usman, Anwar; Razak, Ibrahim Abdul; Fun, Hoong-Kun; Chantrapromma, Suchada; Zhang, Yan; Xu, Jian-Hua 1-Acetyl-3'-(4-bromophenyl)-3'-chlorospiro[3H-indole-3,2'-oxetan]-2(1H)-one Acta Crystallographica Section C 58(5) (2002) o287-o288

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/26/2012677.cif $ #-------------------------------------------------------------------...

2,012,678

14.139

0.001

18.739

0.001

24.473

0.002

90

null

90

null

90

null

6,484.1

0.8

100

2

100

2

null

4

P 21 21 21

P 2ac 2ab

19

pseudophomin A

β-hydroxydecanoyl-L-Leu-D-Glu-D-allo-Thr-D-Ile-D-Leu-D-Ser-L-Leu- D-Ser-L-Ile

- C55 H99 N9 O17 -

- C220 H396 N36 O68 -

4

1

BK1644

Quail, J. Wilson; Ismail, Nargis; Pedras, M. Soledade C.; Boyetchko, Susan M.

Pseudophomins A and B, a class of cyclic lipodepsipeptides isolated from a Pseudomonas species

Acta Crystallographica Section C

2,002

58

5

o268

o271

10.1107/S0108270102004432

1.54178

CuKα

0.0356

0.0349

null

0.0913

0.092

null

1.09

null

has coordinates

Quail, J. Wilson; Ismail, Nargis; Pedras, M. Soledade C.; Boyetchko, Susan M. Pseudophomins A and B, a class of cyclic lipodepsipeptides isolated from a Pseudomonas species Acta Crystallographica Section C 58(5) (2002) o268-o271

201,957

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-10-13 03:48:21 +0300 (Fri, 13 Oct 2017) $ #$Revision: 201957 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/26/2012678.cif $ #-------------------------------------------------------------------...

2,012,679

14.245

0.002

18.87

0.003

24.558

0.004

90

null

90

null

90

null

6,601.3

1.8

100

2

100

2

null

4

P 21 21 21

P 2ac 2ab

19

pseudophomin B

β-hydroxydodecanoyl-L-Leu-D-Glu-D-allo-Thr-D-Ile-D-Leu-D-Ser-L-Leu- D-Ser-L-Ile

- C57 H103 N9 O17 -

- C56.9992 H102.998 N9 O17 -

- C227.997 H411.99 N36 O68 -

4

1

BK1644

Quail, J. Wilson; Ismail, Nargis; Pedras, M. Soledade C.; Boyetchko, Susan M.

Pseudophomins A and B, a class of cyclic lipodepsipeptides isolated from a Pseudomonas species

Acta Crystallographica Section C

2,002

58

5

o268

o271

10.1107/S0108270102004432

1.54178

CuKα

0.0666

0.0504

null

0.123

0.1339

null

1.068

null

has coordinates,has disorder

Quail, J. Wilson; Ismail, Nargis; Pedras, M. Soledade C.; Boyetchko, Susan M. Pseudophomins A and B, a class of cyclic lipodepsipeptides isolated from a Pseudomonas species Acta Crystallographica Section C 58(5) (2002) o268-o271

176,432

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176432 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/26/2012679.cif $ #-------------------------------------------------------------------...

2,012,680

10.738

0.002

6.253

0.002

7.875

0.002

98.3

0.03

108.39

0.03

90.68

0.03

495.6

0.2

173

2

173

2

null

4

C -1

-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)

2

cacodyl cyanide

cyanodimethylarsine

- C3 H6 As N -

- C12 H24 As4 N4 -

4

null

BK1648

Britton, Doyle; Young Jr, Victor G.; Schlemper, Elmer O.

Intermolecular interactions in cyanodimethylarsine and cyanodimethylstibine

Acta Crystallographica Section C

2,002

58

5

m307

m309

10.1107/S0108270102006030

0.71073

MoKα

0.035

0.033

null

0.089

0.09

null

1.05

null

has coordinates,has Fobs

Britton, Doyle; Young Jr, Victor G.; Schlemper, Elmer O. Intermolecular interactions in cyanodimethylarsine and cyanodimethylstibine Acta Crystallographica Section C 58(5) (2002) m307-m309

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/26/2012680.cif $ #-------------------------------------------------------------------...

2,012,681

11.313

0.007

6.175

0.004

16.701

0.011

90

null

109.673

0.009

90

null

1,098.6

1.2

173

2

173

2

null

4

C 1 2/c 1

-C 2yc

15

cyanodimethylstibine

- C3 H6 N Sb -

- C24 H48 N8 Sb8 -

8

1

BK1648

Britton, Doyle; Young Jr, Victor G.; Schlemper, Elmer O.

Intermolecular interactions in cyanodimethylarsine and cyanodimethylstibine

Acta Crystallographica Section C

2,002

58

5

m307

m309

10.1107/S0108270102006030

0.71073

MoKα

0.038

null

0.097

null

1.06

null

has coordinates,has Fobs

Britton, Doyle; Young Jr, Victor G.; Schlemper, Elmer O. Intermolecular interactions in cyanodimethylarsine and cyanodimethylstibine Acta Crystallographica Section C 58(5) (2002) m307-m309

201,957

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-10-13 03:48:21 +0300 (Fri, 13 Oct 2017) $ #$Revision: 201957 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/26/2012681.cif $ #-------------------------------------------------------------------...

2,012,682

12.799

0.004

10.015

0.003

13.168

0.004

90

null

115.96

0.04

90

null

1,517.6

1

293

2

293

2

null

4

C 1 2/c 1

-C 2yc

15

9-Cyano-10-methylacridinium hydrogen dinitrate

- C15 H12 N4 O6 -

- C60 H48 N16 O24 -

4

0.5

BM1487

Huta, Olexyj M.; Patsaj, Ihor O.; Konitz, Antoni; Meszko, Joanna; Błażejowski, Jerzy

9-Cyano-10-methylacridinium hydrogen dinitrate

Acta Crystallographica Section C

2,002

58

5

o295

o297

10.1107/S0108270102004912

0.71073

MoKα

0.101

0.047

null

0.141

0.169

null

1.066

null

has coordinates,has Fobs

Huta, Olexyj M.; Patsaj, Ihor O.; Konitz, Antoni; Meszko, Joanna; Błażejowski, Jerzy 9-Cyano-10-methylacridinium hydrogen dinitrate Acta Crystallographica Section C 58(5) (2002) o295-o297

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/26/2012682.cif $ #-------------------------------------------------------------------...

2,012,683

8.177

0.005

8.214

0.003

14.456

0.006

84.69

0.03

81.13

0.04

63.53

0.05

858.5

0.8

298

null

298

null

7

P -1

-P 1

2

trans-(2-Acetylpyridine-κ^2^N,O)dichlorobis(dimethyl sulfoxide-κS)ruthenium(II)

- C11 H19 Cl2 N O3 Ru S2 -

- C22 H38 Cl4 N2 O6 Ru2 S4 -

2

1

BM1490

Pal, Satyanarayan; Pal, Samudranil

trans-(2-Acetylpyridine-κ^2^N,O)dichlorobis(dimethyl sulfoxide-κS)ruthenium(II)

Acta Crystallographica Section C

2,002

58

5

m273

m274

10.1107/S0108270102003797

0.71073

MoKα

0.052

0.04

null

0.109

0.118

null

1.032

null

has coordinates,has Fobs

Pal, Satyanarayan; Pal, Samudranil trans-(2-Acetylpyridine-κ^2^N,O)dichlorobis(dimethyl sulfoxide-κS)ruthenium(II) Acta Crystallographica Section C 58(5) (2002) m273-m274

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/26/2012683.cif $ #-------------------------------------------------------------------...

2,012,684

10.3075

0.0001

10.9284

0.0001

17.3424

0.0002

87.5556

0.0004

88.8661

0.0004

89.3366

0.0005

1,951.25

0.03

150

2

150

2

null

6

P -1

-P 1

2

Tetrakis(5-tert-butylpyrazole-1κN^2^)tetrachloro-1κCl,2κ^3^Cl-μ-oxo- 1:2κ^2^O-diiron(III)

- C28 H48 Cl4 Fe2 N8 O -

- C56 H96 Cl8 Fe4 N16 O2 -

2

1

BM1491

Liu, Xiaoming; Kilner, Colin A.; Halcrow, Malcolm A.

Tetrakis(5-tert-butylpyrazole-1κN^2^)tetrachloro-1κCl,2κ^3^Cl-μ-oxo-1:2κ^2^O-diiron(III)

Acta Crystallographica Section C

2,002

58

5

m290

m291

10.1107/S0108270102004948

0.71073

MoKα

0.038

0.033

null

0.087

0.091

null

1.033

null

has coordinates,has Fobs

Liu, Xiaoming; Kilner, Colin A.; Halcrow, Malcolm A. Tetrakis(5-tert-butylpyrazole-1κN^2^)tetrachloro-1κCl,2κ^3^Cl-μ-oxo-1:2κ^2^O-diiron(III) Acta Crystallographica Section C 58(5) (2002) m290-m291

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/26/2012684.cif $ #-------------------------------------------------------------------...

2,012,685

8.096

0.004

21.282

0.011

9.281

0.005

90

null

95.28

0.04

90

null

1,592.3

1.4

178

2

178

2

null

3

P 1 21/n 1

-P 2yn

14

4,16-bis(methoxycarbonyl)[2.2]paracyclophane

- C20 H20 O4 -

- C80 H80 O16 -

4

1

BM1493

Jones, Peter G.; Hillmer, Jörg; Hopf, Henning

Three isomeric bis(methoxycarbonyl)[2.2]paracyclophanes

Acta Crystallographica Section C

2,002

58

5

o301

o304

10.1107/S0108270102005140

0.71073

MoKα

0.051

0.041

null

0.108

0.119

null

1.045

null

has coordinates,has Fobs

Jones, Peter G.; Hillmer, Jörg; Hopf, Henning Three isomeric bis(methoxycarbonyl)[2.2]paracyclophanes Acta Crystallographica Section C 58(5) (2002) o301-o304

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/26/2012685.cif $ #-------------------------------------------------------------------...

2,012,686

7.47

0.003

11.287

0.004

9.494

0.003

90

null

90.83

0.03

90

null

800.4

0.5

178

2

178

2

null

3

P 1 21 1

P 2yb

4

4,15-bis(methoxycarbonyl)[2.2]paracyclophane

- C20 H20 O4 -

- C40 H40 O8 -

2

1

BM1493

Jones, Peter G.; Hillmer, Jörg; Hopf, Henning

Three isomeric bis(methoxycarbonyl)[2.2]paracyclophanes

Acta Crystallographica Section C

2,002

58

5

o301

o304

10.1107/S0108270102005140

0.71073

MoKα

0.045

0.036

null

0.09

0.096

null

1.042

null

has coordinates,has Fobs

Jones, Peter G.; Hillmer, Jörg; Hopf, Henning Three isomeric bis(methoxycarbonyl)[2.2]paracyclophanes Acta Crystallographica Section C 58(5) (2002) o301-o304

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/26/2012686.cif $ #-------------------------------------------------------------------...

2,012,687

8.699

0.002

11.79

0.003

7.628

0.002

90

null

91.9

0.02

90

null

781.9

0.3

178

2

178

2

null

3

P 1 21/c 1

-P 2ybc

14

4,12-bis(methoxycarbonyl)[2.2]paracyclophane

- C20 H20 O4 -

- C40 H40 O8 -

2

0.5

BM1493

Jones, Peter G.; Hillmer, Jörg; Hopf, Henning

Three isomeric bis(methoxycarbonyl)[2.2]paracyclophanes

Acta Crystallographica Section C

2,002

58

5

o301

o304

10.1107/S0108270102005140

0.71073

MoKα

0.062

0.045

null

0.116

0.131

null

1.059

null

has coordinates,has Fobs

Jones, Peter G.; Hillmer, Jörg; Hopf, Henning Three isomeric bis(methoxycarbonyl)[2.2]paracyclophanes Acta Crystallographica Section C 58(5) (2002) o301-o304

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/26/2012687.cif $ #-------------------------------------------------------------------...

2,012,688

9.9511

0.0012

7.6156

0.001

13.5616

0.0016

90

null

109.104

0.003

90

null

971.1

0.2

143

2

143

2

null

4

P 1 21/c 1

-P 2ybc

14

4-bromo-N,N-dimethylanilinium bromide

- C8 H11 Br2 N -

- C32 H44 Br8 N4 -

4

1

BM1494

Jones, Peter G.; Gray, Lilian

Secondary interactions in 4-bromo-N,N-dimethylanilinium bromide

Acta Crystallographica Section C

2,002

58

5

o282

o283

10.1107/S0108270102004882

0.71073

MoKα

0.023

0.018

null

0.042

0.043

null

1.036

null

has coordinates,has Fobs

Jones, Peter G.; Gray, Lilian Secondary interactions in 4-bromo-N,N-dimethylanilinium bromide Acta Crystallographica Section C 58(5) (2002) o282-o283

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/26/2012688.cif $ #-------------------------------------------------------------------...

2,012,689

15.6621

0.0009

8.9873

0.0004

31.196

0.002

90

null

100.761

0.007

90

null

4,313.9

0.4

293

null

293

null

2

C 1 2/c 1

-C 2yc

15

- Te Tl2 -

- Te44 Tl88 -

44

5.5

BR1351

Radovan Černý; Jean-Marc Joubert; Yaroslav Filinchuk; Yves Feutelais

Tl~2~Te and its relationship with Tl~5~Te~3~

Acta Crystallographica Section C

2,002

58

5

i63

i65

10.1107/S0108270102005085

0.71073

MoKα

null

0.107

null

0.188

0.18

null

2.372

null

has coordinates,has Fobs

Radovan Černý; Jean-Marc Joubert; Yaroslav Filinchuk; Yves Feutelais Tl~2~Te and its relationship with Tl~5~Te~3~ Acta Crystallographica Section C 58(5) (2002) i63-i65

176,432

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176432 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/26/2012689.cif $ #-------------------------------------------------------------------...

2,012,690

5.3145

0.0002

10.6234

0.0005

14.7782

0.0007

90

null

90

null

90

null

834.35

0.06

295

null

295

null

3

P b c a

-P 2ac 2ab

61

γ sodium gallate

- Ga Na O2 -

- Ga16 Na16 O32 -

16

2

BR1357

Villafuerte-Castrejón, María-Elena; Bucio, Lauro; Sánchez-Arjona, Angel; Duque, Julio; Pomés, Ramón

γ-Sodium gallate: a Rietveld refinement using X-ray powder diffraction

Acta Crystallographica Section C

2,002

58

5

i69

i70

10.1107/S0108270102003049

1.54056

CuKα~1~

null

1.48

null

has coordinates

Villafuerte-Castrejón, María-Elena; Bucio, Lauro; Sánchez-Arjona, Angel; Duque, Julio; Pomés, Ramón γ-Sodium gallate: a Rietveld refinement using X-ray powder diffraction Acta Crystallographica Section C 58(5) (2002) i69-i70

176,435

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/26/2012690.cif $ #-------------------------------------------------------------------...

2,012,691

11.865

0.004

12.117

0.003

6.467

0.002

90

null

113.82

0.03

90

null

850.6

0.5

293

2

293

2

null

5

C 1 2/c 1

-C 2yc

15

Silver trinickel phosphate bis(hydrogenphosphate)

- Ag H2 Ni3 O12 P3 -

- Ag4 H8 Ni12 O48 P12 -

4

0.5

BR1359

Ben Smail, Ridha; Jouini, Tahar

AgNi~3~(PO~4~)(HPO~4~)~2~: an alluaudite-like structure

Acta Crystallographica Section C

2,002

58

5

i61

i62

10.1107/S0108270102003153

0.71069

MoKα

0.02

null

0.051

null

1.206

null

has coordinates,has Fobs

Ben Smail, Ridha; Jouini, Tahar AgNi~3~(PO~4~)(HPO~4~)~2~: an alluaudite-like structure Acta Crystallographica Section C 58(5) (2002) i61-i62

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/26/2012691.cif $ #-------------------------------------------------------------------...

2,012,692

12.773

0.003

7.529

0.002

7.108

0.002

90

null

104.37

0.02

90

null

662.2

0.3

293

2

293

2

null

4

P 1 n 1

P -2yac

7

Rubidium diniobium tris(disulfide) tetrathiophosphate

- Nb2 P Rb S10 -

- Nb4 P2 Rb2 S20 -

2

1

BR1362

Changkeun Kim; Hoseop Yun

A new quaternary thiophosphate, RbNb~2~(S~2~)~3~(PS~4~)

Acta Crystallographica Section C

2,002

58

5

i53

i54

10.1107/S0108270102004316

0.71073

MoKα

0.039

null

0.114

null

1.102

null

has coordinates,has Fobs

Changkeun Kim; Hoseop Yun A new quaternary thiophosphate, RbNb~2~(S~2~)~3~(PS~4~) Acta Crystallographica Section C 58(5) (2002) i53-i54

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/26/2012692.cif $ #-------------------------------------------------------------------...

2,012,693

7.9481

0.0002

11.3472

0.0003

6.0425

0.0003

90

null

90

null

90

null

544.97

0.03

292

1

291

null

10,000

null

5

P n a 21

P 2c -2n

33

bis(ammonium) fluorophosphate

- F H8 N2 O3 P -

- F4 H32 N8 O12 P4 -

4

1

BR1363

Krupková, Radmila; Fábry, Jan; Císařová, Ivana; Vaněk, Přemysl

Bis(ammonium) fluorophosphate at room temperature

Acta Crystallographica Section C

2,002

58

5

i66

i68

10.1107/S010827010200553X

0.71073

MoKα

0.023

0.022

null

0.031

null

1.79

1.76

null

has coordinates,has Fobs

Krupková, Radmila; Fábry, Jan; Císařová, Ivana; Vaněk, Přemysl Bis(ammonium) fluorophosphate at room temperature Acta Crystallographica Section C 58(5) (2002) i66-i68

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/26/2012693.cif $ #-------------------------------------------------------------------...

2,012,694

7.837

0.002

24.074

0.009

9.543

0.002

90

null

102.87

0.02

90

null

1,755.2

0.9

293

2

293

2

null

4

P 1 21/c 1

-P 2ybc

14

6-Acetylamino-6,7-dihydro-5H-dibenzo[a,c]cycloheptene-6-carboxylic acid ethyl ester

- C20 H21 N O3 -

- C80 H84 N4 O12 -

4

1

DE1181

Damodharan, Lakshminarasimhan; Shamaladevi, Nagarajarao; Pattabhi, Vasantha; Behera, Manoranjan; Kotha, Sambasivarao

Ethyl 6-acetylamino-6,7-dihydro-5H-dibenzo[a,c]cycloheptene-6-carboxylate

Acta Crystallographica Section C

2,002

58

5

o266

o267

10.1107/S0108270102004687

1.5418

CuKα

0.124

0.08

null

0.222

0.262

null

1.048

null

has coordinates,has Fobs

Damodharan, Lakshminarasimhan; Shamaladevi, Nagarajarao; Pattabhi, Vasantha; Behera, Manoranjan; Kotha, Sambasivarao Ethyl 6-acetylamino-6,7-dihydro-5H-dibenzo[a,c]cycloheptene-6-carboxylate Acta Crystallographica Section C 58(5) (2002) o266-o267

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/26/2012694.cif $ #-------------------------------------------------------------------...

2,012,695

22.4188

0.0001

22.4188

0.0001

11.9764

0.0001

90

null

90

null

90

null

6,019.37

0.06

279

2

279

2

null

6

I -4

82

Pentacarbonyl{tris[4-(methylsulfonyl)phenyl]stannyl}manganese(I)

- C26 H21 Mn O11 S3 Sn -

- C208 H168 Mn8 O88 S24 Sn8 -

8

1

FG1638

Christendat, Dharamdat; Wharf, Ivor; Lebuis, Anne-Marie; Butler, Ian S.; Gilson, Denis F. R.

Pentacarbonyl{tris[4-(methylsulfonyl)phenyl]stannyl}manganese(I): an unexpected tetragonal structure

Acta Crystallographica Section C

2,002

58

5

m297

m299

10.1107/S0108270102004377

1.54178

CuKα

0.035

0.033

null

0.081

0.082

null

0.99

null

has coordinates,has Fobs

Christendat, Dharamdat; Wharf, Ivor; Lebuis, Anne-Marie; Butler, Ian S.; Gilson, Denis F. R. Pentacarbonyl{tris[4-(methylsulfonyl)phenyl]stannyl}manganese(I): an unexpected tetragonal structure Acta Crystallographica Section C 58(5) (2002) m297-m299

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/26/2012695.cif $ #-------------------------------------------------------------------...

2,012,696

10.0225

0.0014

14.862

0.002

10.0873

0.0014

90

null

110.758

0.011

90

null

1,405

0.4

296

2

296

2

null

3

P 1 21 1

P 2yb

4

(-)-3-oxo-11α(H)-eudesm-4-en-12-oic acid

(+)-2-(1,2,3,4,4a,5,6,7-Octahydro-4a,8-dimethyl-7-oxo-2- naphthyl)propionic acid

- C15 H22 O3 -

- C60 H88 O12 -

4

2

FR1365

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

(+)-2-(1,2,3,4,4a,5,6,7-Octahydro-4a,8-dimethyl-7-oxo-2-naphthyl)propionic acid: catemeric hydrogen bonding in a bicyclic sesquiterpenoid keto acid

Acta Crystallographica Section C

2,002

58

5

o251

o253

10.1107/S0108270102004365

0.71073

MoKα

0.061

0.042

null

0.096

0.105

null

1.03

null

has coordinates,has Fobs

Brunskill, Andrew P. J.; Thompson, Hugh W.; Lalancette, Roger A. (+)-2-(1,2,3,4,4a,5,6,7-Octahydro-4a,8-dimethyl-7-oxo-2-naphthyl)propionic acid: catemeric hydrogen bonding in a bicyclic sesquiterpenoid keto acid Acta Crystallographica Section C 58(5) (2002) o251-o253

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/26/2012696.cif $ #-------------------------------------------------------------------...

2,012,697

8.6648

0.001

9.963

0.0016

11.1996

0.0011

91.083

0.009

109.199

0.005

109.571

0.01

851.2

0.2

298

2

298

2

null

4

P -1

-P 1

2

Di-2-pyridyl ketone p-aminobenzoylhydrazone hydrate

4-Amino-2'-(di-2-pyridylmethylene)benzohydrazide hydrate

- C18 H17 N5 O2 -

- C36 H34 N10 O4 -

2

1

GD1194

Bakir, Mohammed; Orville Green

Di-2-pyridyl ketone p-aminobenzoylhydrazone hydrate

Acta Crystallographica Section C

2,002

58

5

o263

o265

10.1107/S0108270102004511

0.71073

MoKα

0.172

0.05

null

0.094

0.124

null

0.947

null

has coordinates,has Fobs

Bakir, Mohammed; Orville Green Di-2-pyridyl ketone p-aminobenzoylhydrazone hydrate Acta Crystallographica Section C 58(5) (2002) o263-o265

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/26/2012697.cif $ #-------------------------------------------------------------------...

2,012,698

8.941

0.002

9.732

0.002

10.9449

0.001

110.058

0.014

93.437

0.013

109.012

0.019

829.8

0.3

293

2

null

6

P -1

-P 1

2

trans-Bis[3-(2-fluorophenyl)-1-(4-nitrophenyl)triazenido-κN^3^]bis(pyridine- κN)palladium(II)

- C34 H26 F2 N10 O4 Pd -

1

0.5

GD1195

Hörner, Manfredo; Visentin, Lorenzo do C.; Dahmer, Marisa; Bordinhao, Jairo

trans-Bis[3-(2-fluorophenyl)-1-(4-nitrophenyl)triazenido-κN^3^]bis(pyridine-κN)palladium(II)

Acta Crystallographica Section C

2,002

58

5

m286

m287

10.1107/S0108270102004602

0.71073

MoKα

null

0.045

null

0.105

null

1.07

null

has coordinates,has Fobs

Hörner, Manfredo; Visentin, Lorenzo do C.; Dahmer, Marisa; Bordinhao, Jairo trans-Bis[3-(2-fluorophenyl)-1-(4-nitrophenyl)triazenido-κN^3^]bis(pyridine-κN)palladium(II) Acta Crystallographica Section C 58(5) (2002) m286-m287

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/26/2012698.cif $ #-------------------------------------------------------------------...

2,012,699

8.1392

0.0004

8.4351

0.0004

11.3852

0.0006

77.951

0.003

81.192

0.002

70.681

0.002

718.39

0.06

120

1

120

1

null

3

P -1

-P 1

2

3-methyl-1,4-diphenyl-1H-pyrazolo-(3,4-b)pyridine

- C19 H15 N3 -

- C38 H30 N6 -

2

1

GD1203

Low, John N.; Cobo, Justo; Nogueras, Manuel; Sánchez, Adolfo; Torres, Harlen; Insuasty, Braulio

C—H···π and π–π interactions in the supramolecular structure of 3-methyl-1,4-diphenyl-1H-pyrazolo[3,4-b]pyridine

Acta Crystallographica Section C

2,002

58

5

o298

o300

10.1107/S0108270102006340

0.71073

MoKα

0.1325

0.0525

null

0.0976

0.1229

null

0.941

null

has coordinates,has Fobs

Low, John N.; Cobo, Justo; Nogueras, Manuel; Sánchez, Adolfo; Torres, Harlen; Insuasty, Braulio C—H···π and π–π interactions in the supramolecular structure of 3-methyl-1,4-diphenyl-1H-pyrazolo[3,4-b]pyridine Acta Crystallographica Section C 58(5) (2002) o298-o300

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/26/2012699.cif $ #-------------------------------------------------------------------...

2,012,700

9.0072

0.0007

9.7391

0.0006

15.5818

0.0011

75.407

0.003

85.574

0.003

81.367

0.004

1,306.68

0.16

150

2

150

2

null

6

P -1

-P 1

2

penta-μ-cyano-tricyanotris(ethylenediamine)dicopper(II)tungsten(IV) tetrahydrate

- C14 H32 Cu2 N14 O4 W -

- C14 H24 Cu2 N14 O4 W -

- C28 H48 Cu4 N28 O8 W2 -

2

1

GG1099

Li, Dong-Feng; Okamura, Taka-aki; Sun, Wei-Yin; Ueyama, Norikazu; Tang, Wen-Xia

A three-dimensional Cu^II^‒W^IV^ bimetallic porous assembly containing a zigzag ladder structure

Acta Crystallographica Section C

2,002

58

5

m280

m282

10.1107/S0108270102004298

0.71073

MoKα

0.029

0.026

null

0.06

0.061

null

1.013

null

has coordinates,has disorder,has Fobs

Li, Dong-Feng; Okamura, Taka-aki; Sun, Wei-Yin; Ueyama, Norikazu; Tang, Wen-Xia A three-dimensional Cu^II^‒W^IV^ bimetallic porous assembly containing a zigzag ladder structure Acta Crystallographica Section C 58(5) (2002) m280-m282

176,432

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176432 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/27/2012700.cif $ #-------------------------------------------------------------------...

2,012,701

9.818

0.002

9.402

0.002

12.571

0.004

90

null

93.8

0.02

90

null

1,157.9

0.5

298

2

298

2

null

3

P 1 21/n 1

-P 2yn

14

N,N',N'',N'''-Tetraethylbenzene-1,4-dicarboxamidinium bis(tetrazolate)

- C18 H30 N12 -

- C36 H60 N24 -

2

0.5

GG1105

Kraft, Arno; Peters, Lars; Fröhlich, Roland

N,N',N'',N'''-Tetraethylterephthalamidinium bis(tetrazolate)

Acta Crystallographica Section C

2,002

58

5

o272

o274

10.1107/S0108270102004730

1.54178

CuKα

0.059

0.047

null

0.128

0.137

null

1.056

null

has coordinates,has disorder,has Fobs

Kraft, Arno; Peters, Lars; Fröhlich, Roland N,N',N'',N'''-Tetraethylterephthalamidinium bis(tetrazolate) Acta Crystallographica Section C 58(5) (2002) o272-o274

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/27/2012701.cif $ #-------------------------------------------------------------------...

2,012,702

9.585

0.002

15.51

0.002

15.865

0.002

90

null

114.198

0.011

90

null

2,151.3

0.6

294

2

294

2

null

5

P 1 21/c 1

-P 2ybc

14

[2,6‒Bis((dimethylamino‒κN)methyl)phenyl‒κC]iodopalladium(II) bis(diiodine)

- C12 H19 I5 N2 Pd -

- C48 H76 I20 N8 Pd4 -

4

1

GG1107

Mills, Allison M.; Beek, Johannus A. M. van; Koten, Gerard van; Spek, Anthony L.

{2,6-Bis[(dimethylamino-κN)methyl]phenyl-κC}iodopalladium(II) bis(diiodine)

Acta Crystallographica Section C

2,002

58

5

m304

m306

10.1107/S0108270102005620

0.71073

MoKα

0.0476

0.0397

null

0.0999

0.1036

null

1.164

null

has coordinates,has Fobs

Mills, Allison M.; Beek, Johannus A. M. van; Koten, Gerard van; Spek, Anthony L. {2,6-Bis[(dimethylamino-κN)methyl]phenyl-κC}iodopalladium(II) bis(diiodine) Acta Crystallographica Section C 58(5) (2002) m304-m306

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/27/2012702.cif $ #-------------------------------------------------------------------...

2,012,703

8.5292

0.0012

10.7291

0.0016

11.0469

0.0016

109.417

0.002

91.555

0.003

110.945

0.003

878.1

0.2

120

1

120

1

null

3

P -1

-P 1

2

2-Phenyl-5-p-tolyl-1,5,6,10b-tetrahydropyrazolo[1,5-c]quinazoline

- C23 H21 N3 -

- C46 H42 N6 -

2

1

GG1111

Low, John Nicolson; Cobo, Justo; Nogueras, Manuel; Sánchez, Adolfo; Torres, Harlen; Insuasty, Braulio

The molecular and supramolecular structures of four 1,5,6,10b-tetrahydropyrazolo[1,5-c]quinazolines

Acta Crystallographica Section C

2,002

58

5

o305

o310

10.1107/S0108270102006200

0.71073

MoKα

0.06

0.052

null

0.141

0.146

null

1.062

null

has coordinates,has Fobs

Low, John Nicolson; Cobo, Justo; Nogueras, Manuel; Sánchez, Adolfo; Torres, Harlen; Insuasty, Braulio The molecular and supramolecular structures of four 1,5,6,10b-tetrahydropyrazolo[1,5-c]quinazolines Acta Crystallographica Section C 58(5) (2002) o305-o310

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/27/2012703.cif $ #-------------------------------------------------------------------...

2,012,704

8.511

0.0002

10.7015

0.0003

11.0357

0.0003

110.036

0.002

92.1613

0.0015

110.328

0.001

871.37

0.04

120

1

120

1

null

4

P -1

-P 1

2

5-(4-Bromophenyl)-2-phenyl-1,5,6,10b-tetrahydropyrazolo[1,5-c]quinazoline

- C22 H18 Br N3 -

- C44 H36 Br2 N6 -

2

1

GG1111

Low, John Nicolson; Cobo, Justo; Nogueras, Manuel; Sánchez, Adolfo; Torres, Harlen; Insuasty, Braulio

The molecular and supramolecular structures of four 1,5,6,10b-tetrahydropyrazolo[1,5-c]quinazolines

Acta Crystallographica Section C

2,002

58

5

o305

o310

10.1107/S0108270102006200

0.71073

MoKα

0.046

0.037

null

0.087

0.091

null

1.025

null

has coordinates,has Fobs

Low, John Nicolson; Cobo, Justo; Nogueras, Manuel; Sánchez, Adolfo; Torres, Harlen; Insuasty, Braulio The molecular and supramolecular structures of four 1,5,6,10b-tetrahydropyrazolo[1,5-c]quinazolines Acta Crystallographica Section C 58(5) (2002) o305-o310

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/27/2012704.cif $ #-------------------------------------------------------------------...

2,012,705

21.2115

0.0003

11.1385

0.0002

17.5948

0.0004

90

null

122.427

0.001

90

null

3,508.84

0.12

120

1

120

1

null

4

C 1 2/c 1

-C 2yc

15

2-(4-Chlorophenyl)-5-phenyl-1,5,6,10b-tetrahydropyrazolo[1,5-c]quinazoline

- C22 H18 Cl N3 -

- C176 H144 Cl8 N24 -

8

1

GG1111

Low, John Nicolson; Cobo, Justo; Nogueras, Manuel; Sánchez, Adolfo; Torres, Harlen; Insuasty, Braulio

The molecular and supramolecular structures of four 1,5,6,10b-tetrahydropyrazolo[1,5-c]quinazolines

Acta Crystallographica Section C

2,002

58

5

o305

o310

10.1107/S0108270102006200

0.71073

MoKα

0.059

0.047

null

0.121

0.13

null

1.01

null

has coordinates,has Fobs

Low, John Nicolson; Cobo, Justo; Nogueras, Manuel; Sánchez, Adolfo; Torres, Harlen; Insuasty, Braulio The molecular and supramolecular structures of four 1,5,6,10b-tetrahydropyrazolo[1,5-c]quinazolines Acta Crystallographica Section C 58(5) (2002) o305-o310

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/27/2012705.cif $ #-------------------------------------------------------------------...

2,012,706

5.556

0.0001

12.2526

0.0002

14.0827

0.0003

77.923

0.0009

83.006

0.0008

87.814

0.001

930.41

0.03

120

1

120

1

null

5

P -1

-P 1

2

5-(4-Bromophenyl)-2-(4-chlorophenyl)-1,5,6,10b-tetrahydropyrazolo[1,5-c] quinazoline

- C22 H17 Br Cl N3 -

- C44 H34 Br2 Cl2 N6 -

2

1

GG1111

Low, John Nicolson; Cobo, Justo; Nogueras, Manuel; Sánchez, Adolfo; Torres, Harlen; Insuasty, Braulio

The molecular and supramolecular structures of four 1,5,6,10b-tetrahydropyrazolo[1,5-c]quinazolines

Acta Crystallographica Section C

2,002

58

5

o305

o310

10.1107/S0108270102006200

0.71073

MoKα

0.042

0.034

null

0.076

0.08

null

1.05

null

has coordinates,has disorder,has Fobs

Low, John Nicolson; Cobo, Justo; Nogueras, Manuel; Sánchez, Adolfo; Torres, Harlen; Insuasty, Braulio The molecular and supramolecular structures of four 1,5,6,10b-tetrahydropyrazolo[1,5-c]quinazolines Acta Crystallographica Section C 58(5) (2002) o305-o310

301,798

2025-08-19

6:41:50

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2,012,707

6.1072

0.0004

26.0105

0.0014

7.138

0.0005

90

null

101.416

0.009

90

null

1,111.45

0.13

123

2

123

2

null

5

P 1 21/c 1

-P 2ybc

14

Bipyridinium hexafluorophosphate

2,2'-Bipyridinium hexafluorophosphate

- C10 H9 F6 N2 P -

- C40 H36 F24 N8 P4 -

4

1

JZ1500

Kraus, Florian; Breu, Josef

Arene–arene stacking in the revised structure of 2,2'-bipyridinium hexafluorophosphate

Acta Crystallographica Section C

2,002

58

5

o254

o256

10.1107/S0108270102003955

0.71073

MoKα

0.035

0.029

null

0.087

0.091

null

1.052

null

has coordinates,has Fobs

Kraus, Florian; Breu, Josef Arene–arene stacking in the revised structure of 2,2'-bipyridinium hexafluorophosphate Acta Crystallographica Section C 58(5) (2002) o254-o256

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/27/2012707.cif $ #-------------------------------------------------------------------...

2,012,708

6.7262

0.0006

6.5427

0.0004

19.8

0.002

90

null

93.444

0.004

90

null

869.78

0.13

293

2

293

2

null

5

P 1 21/n 1

-P 2yn

14

Polymeric aqua(nitrilotriacetato)erbium(III)

- C6 H8 Er N O7 -

- C24 H32 Er4 N4 O28 -

4

1

LN1137

Wu, Chuan-De; Lu, Can-Zhong; Zhuang, Hong-Hui; Huang, Jin-Shun

Polymeric aqua(nitrilotriacetato)erbium(III)

Acta Crystallographica Section C

2,002

58

5

m283

m285

10.1107/S010827010200464X

0.71073

MoKα

0.038

0.032

null

0.067

0.072

null

1.088

null

has coordinates,has Fobs

Wu, Chuan-De; Lu, Can-Zhong; Zhuang, Hong-Hui; Huang, Jin-Shun Polymeric aqua(nitrilotriacetato)erbium(III) Acta Crystallographica Section C 58(5) (2002) m283-m285

176,760

2020-10-21

18:00:00

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2,012,709

9.2688

0.0017

10.455

0.0018

11.349

0.002

112.462

0.003

94.924

0.002

113.908

0.002

890.6

0.3

298

1

298

1

null

5

P -1

-P 1

2

catena-poly-[[aqua(1,10-phenanthroline-κ^2^N,N')cobalt(II)]-μ-benzene- 1,4-dicarboxylato-κ^2^O^1^,O^4^]

- C20 H14 Co N2 O5 -

- C40 H28 Co2 N4 O10 -

2

1

NA1551

Karanović, Ljiljana; Poleti, Dejan; Rogan, Jelena; Bogdanović, Goran A.; Spasojević-de Biré, Anne

Comparison of two polymeric transition metal complexes with 1,4-benzenedicarboxylate ions as bridging ligands, [Co(C~8~H~4~O~4~)(C~12~H~8~N~2~)(H~2~O)] and [Cu(C~8~H~4~O~4~)(C~10~H~9~N~3~)]·H~2~O

Acta Crystallographica Section C

2,002

58

5

m275

m279

10.1107/S0108270102004341

0.71073

MoKα

0.077

0.037

null

0.054

0.06

null

0.876

null

has coordinates,has Fobs

Karanović, Ljiljana; Poleti, Dejan; Rogan, Jelena; Bogdanović, Goran A.; Spasojević-de Biré, Anne Comparison of two polymeric transition metal complexes with 1,4-benzenedicarboxylate ions as bridging ligands, [Co(C~8~H~4~O~4~)(C~12~H~8~N~2~)(H~2~O)] and [Cu(C~8~H~4~O~4~)(C~10~H~9~N~3~)]·H~2~O Acta Crystallographica Sec...

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/27/2012709.cif $ #-------------------------------------------------------------------...

2,012,710

9.009

0.004

9.289

0.003

11.171

0.006

99.11

0.04

106.64

0.04

92.39

0.03

880.6

0.7

293

2

293

2

null

5

P -1

-P 1

2

catena-poly-[[[(di-2-pyridyl-κN-amine)copper(II)]-μ-benzene-1,4- dicarboxylato-κ^4^O^1^,O^1'^,O^4^,O^4'^] hydrate]

- C18 H15 Cu N3 O5 -

- C36 H30 Cu2 N6 O10 -

2

1

NA1551

Karanović, Ljiljana; Poleti, Dejan; Rogan, Jelena; Bogdanović, Goran A.; Spasojević-de Biré, Anne

Comparison of two polymeric transition metal complexes with 1,4-benzenedicarboxylate ions as bridging ligands, [Co(C~8~H~4~O~4~)(C~12~H~8~N~2~)(H~2~O)] and [Cu(C~8~H~4~O~4~)(C~10~H~9~N~3~)]·H~2~O

Acta Crystallographica Section C

2,002

58

5

m275

m279

10.1107/S0108270102004341

0.71069

MoKα

0.062

0.039

null

0.094

0.1

null

1.014

null

has coordinates,has Fobs

Karanović, Ljiljana; Poleti, Dejan; Rogan, Jelena; Bogdanović, Goran A.; Spasojević-de Biré, Anne Comparison of two polymeric transition metal complexes with 1,4-benzenedicarboxylate ions as bridging ligands, [Co(C~8~H~4~O~4~)(C~12~H~8~N~2~)(H~2~O)] and [Cu(C~8~H~4~O~4~)(C~10~H~9~N~3~)]·H~2~O Acta Crystallographica Sec...

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/27/2012710.cif $ #-------------------------------------------------------------------...

2,012,711

12.8969

0.0003

8.5064

0.0001

13.0472

0.0003

90

null

109.803

0.001

90

null

1,346.71

0.05

293

2

293

2

null

4

P 1 21/c 1

-P 2ybc

14

2-[1-(Phenylsulfonyl)ethyl]benzoic acid

- C15 H14 O4 S -

- C60 H56 O16 S4 -

4

1

NA1557

Sethu Sankar, K.; Velmurugan, D.; Thirumamagal, B. T. S.; Shanmuga Sundara Raj, S.; Fun, H.-K.; Moon, Jib-Kim

2-[1-(Phenylsulfonyl)ethyl]benzoic acid and 2-[1-(phenylsulfonyl)propyl]benzoic acid

Acta Crystallographica Section C

2,002

58

5

o257

o259

10.1107/S0108270102004389

0.71073

MoKα

0.069

0.049

null

0.117

0.124

null

0.938

null

has coordinates,has Fobs

Sethu Sankar, K.; Velmurugan, D.; Thirumamagal, B. T. S.; Shanmuga Sundara Raj, S.; Fun, H.-K.; Moon, Jib-Kim 2-[1-(Phenylsulfonyl)ethyl]benzoic acid and 2-[1-(phenylsulfonyl)propyl]benzoic acid Acta Crystallographica Section C 58(5) (2002) o257-o259

301,798

2025-08-19

6:41:50

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2,012,712

7.4805

0.001

7.5125

0.0009

14.4853

0.0018

94.634

0.009

91.807

0.001

116.02

0.008

727.09

0.17

293

2

293

2

null

4

P -1

-P 1

2

2-[1-(Phenylsulfonyl)propyl]benzoic acid

- C16 H16 O4 S -

- C32 H32 O8 S2 -

2

1

NA1557

Sethu Sankar, K.; Velmurugan, D.; Thirumamagal, B. T. S.; Shanmuga Sundara Raj, S.; Fun, H.-K.; Moon, Jib-Kim

2-[1-(Phenylsulfonyl)ethyl]benzoic acid and 2-[1-(phenylsulfonyl)propyl]benzoic acid

Acta Crystallographica Section C

2,002

58

5

o257

o259

10.1107/S0108270102004389

0.71073

MoKα

0.056

0.04

null

0.098

0.107

null

1.014

null

has coordinates,has Fobs

Sethu Sankar, K.; Velmurugan, D.; Thirumamagal, B. T. S.; Shanmuga Sundara Raj, S.; Fun, H.-K.; Moon, Jib-Kim 2-[1-(Phenylsulfonyl)ethyl]benzoic acid and 2-[1-(phenylsulfonyl)propyl]benzoic acid Acta Crystallographica Section C 58(5) (2002) o257-o259

301,798

2025-08-19

6:41:50

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2,012,713

15.0582

0.0003

11.3915

0.0003

15.8945

0.0003

90

null

109.595

0.001

90

null

2,568.57

0.1

293

2

293

2

null

5

P 1 21/n 1

-P 2yn

14

Ethyl β-{2-[4-(dimethylamino)phenyliminomethyl]-1-(phenylsulfonyl)indol- 3-yl}acrylate

- C28 H27 N3 O4 S -

- C112 H108 N12 O16 S4 -

4

1

NA1558

Sethu Sankar, K.; Kannadasan, S.; Velmurugan, D.; Srinivasan, P. C.; Shanmuga Sundara Raj, S.; Fun, H.-K.

Ethyl β-{2-[4-(dimethylamino)phenyliminomethyl]-1-(phenylsulfonyl)indol-3-yl}acrylate

Acta Crystallographica Section C

2,002

58

5

o277

o279

10.1107/S0108270102005152

0.71073

MoKα

0.163

0.068

null

0.152

0.187

null

0.907

null

has coordinates,has Fobs

Sethu Sankar, K.; Kannadasan, S.; Velmurugan, D.; Srinivasan, P. C.; Shanmuga Sundara Raj, S.; Fun, H.-K. Ethyl β-{2-[4-(dimethylamino)phenyliminomethyl]-1-(phenylsulfonyl)indol-3-yl}acrylate Acta Crystallographica Section C 58(5) (2002) o277-o279

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/27/2012713.cif $ #-------------------------------------------------------------------...

2,012,714

9.094

0.002

12.575

0.002

8.352

0.001

93.03

0.03

115.84

0.03

93.97

0.03

853.9

0.3

293

2

293

2

null

5

P -1

-P 1

2

Tos-Aib-OSu

N^α^-para-toluenesulphonyl-α-aminoisobutyric acid N-oxysuccinimido ester

- C15 H18 N2 O6 S -

- C30 H36 N4 O12 S2 -

2

1

NA1559

Crisma, Marco; Toniolo, Claudio

Reactive intermediates in peptide synthesis: the N-oxysuccinimido ester of N^{α^}-para-toluenesulfonyl-α-aminoisobutyric acid

Acta Crystallographica Section C

2,002

58

5

o275

o276

10.1107/S0108270102004717

0.71073

MoKα

0.0829

0.0435

null

0.1164

0.1416

null

1.025

null

has coordinates,has Fobs

Crisma, Marco; Toniolo, Claudio Reactive intermediates in peptide synthesis: the N-oxysuccinimido ester of N^{α^}-para-toluenesulfonyl-α-aminoisobutyric acid Acta Crystallographica Section C 58(5) (2002) o275-o276

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/27/2012714.cif $ #-------------------------------------------------------------------...

2,012,715

4.5819

0.0006

10.0867

0.0013

18.087

0.002

90

null

90

null

90

null

835.91

0.18

150

2

150

2

null

4

P 21 21 21

P 2ac 2ab

19

- C7 H9 O4 P -

- C28 H36 O16 P4 -

4

1

NA1560

Aragoni, M. Carla; Arca, Massimiliano; Blake, Alexander J.; Lippolis, Vito; Schröder, Martin; Wilson, Claire

4-Methoxyphenylphosphonic acid: reactivity of Lawesson's reagent

Acta Crystallographica Section C

2,002

58

5

o260

o262

10.1107/S0108270102004547

0.71073

MoKα

0.0616

0.0416

null

0.0881

0.0942

null

0.939

null

has coordinates,has Fobs

Aragoni, M. Carla; Arca, Massimiliano; Blake, Alexander J.; Lippolis, Vito; Schröder, Martin; Wilson, Claire 4-Methoxyphenylphosphonic acid: reactivity of Lawesson's reagent Acta Crystallographica Section C 58(5) (2002) o260-o262

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/27/2012715.cif $ #-------------------------------------------------------------------...

2,012,716

15.6152

0.001

9.1842

0.0006

17.792

0.0011

90

null

90.83

0.002

90

null

2,551.3

0.3

120

2

120

2

null

5

P 1 21/c 1

-P 2ybc

14

- C12 H12 N4 O2 S -

- C96 H96 N32 O16 S8 -

8

2

NA1564

Low, John N.; Quesada, Antonio; Marchal, Antonio; Nogueras, Manuel; Sánchez, Adolfo; Glidewell, Christopher

4-Amino-6-benzyloxy-2-(methylsulfanyl)-5-nitrosopyrimidine: hydrogen-bonded dimers linked into π-stacked chains

Acta Crystallographica Section C

2,002

58

5

o284

o286

10.1107/S0108270102005735

0.71073

MoKα

0.0507

0.0365

null

0.0962

0.1011

null

1.046

null

has coordinates

Low, John N.; Quesada, Antonio; Marchal, Antonio; Nogueras, Manuel; Sánchez, Adolfo; Glidewell, Christopher 4-Amino-6-benzyloxy-2-(methylsulfanyl)-5-nitrosopyrimidine: hydrogen-bonded dimers linked into π-stacked chains Acta Crystallographica Section C 58(5) (2002) o284-o286

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/27/2012716.cif $ #-------------------------------------------------------------------...

2,012,717

13.423

0.003

13.561

0.003

19.156

0.004

90

null

106.83

0.03

90

null

3,337.6

1.4

298

2

298

2

null

8

P 1 21/c 1

-P 2ybc

14

(η^3^-Allyl-2κ^3^C)(chloro-1κCl)(μ-N,N'-diethyldithioxamidato- 1:2κ^4^S,S':N,N')[diphenyl(2-pyridyl)phosphine-1κP]palladium(II)platinum(II) chloroform solvate

- C27 H30 Cl4 N3 P Pd Pt S2 -

- C108 H120 Cl16 N12 P4 Pd4 Pt4 S8 -

4

1

NA1566

Bruno, Giuseppe; Lanza, Santo; Nicoló, Francesco; Tresoldi, Giuseppe; Rosace, Giuseppe

(η^3^-Allyl-2κ^3^C)(chloro-1κCl)(μ-N,N'-diethyldithioxamidato-1:2κ^4^S,S':N,N')[diphenyl(2-pyridyl)phosphine-1κP]palladium(II)platinum(II) chloroform solvate

Acta Crystallographica Section C

2,002

58

5

m316

m318

10.1107/S0108270102006303

0.71073

MoKα

0.088

0.041

null

0.082

0.089

null

0.801

null

has coordinates,has disorder,has Fobs

Bruno, Giuseppe; Lanza, Santo; Nicoló, Francesco; Tresoldi, Giuseppe; Rosace, Giuseppe (η^3^-Allyl-2κ^3^C)(chloro-1κCl)(μ-N,N'-diethyldithioxamidato-1:2κ^4^S,S':N,N')[diphenyl(2-pyridyl)phosphine-1κP]palladium(II)platinum(II) chloroform solvate Acta Crystal...

176,432

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176432 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/27/2012717.cif $ #-------------------------------------------------------------------...

2,012,718

14.052

0.006

10.192

0.005

14.047

0.006

90

null

90

null

90

null

2,011.8

1.6

293

2

293

2

null

6

P b c n

-P 2n 2ab

60

Dichlorobis(2-methylquinoline N-oxide-κO)zinc(II)

- C20 H18 Cl2 N2 O2 Zn -

- C80 H72 Cl8 N8 O8 Zn4 -

4

0.5

SK1538

Ivashevskaja, Svetlana N.; Aleshina, Lyudmila A.; Andreev, Vladimir P.; Nizhnik, Yakov P.; Chernyshev, Vladimir V.; Schenk, Hendrik

Dichlorobis(2-methylquinoline N-oxide-κO)zinc(II) from powder data

Acta Crystallographica Section C

2,002

58

5

m300

m301

10.1107/S0108270102005292

1.54056

CuKα~1~

null

1.32

null

has coordinates

Ivashevskaja, Svetlana N.; Aleshina, Lyudmila A.; Andreev, Vladimir P.; Nizhnik, Yakov P.; Chernyshev, Vladimir V.; Schenk, Hendrik Dichlorobis(2-methylquinoline N-oxide-κO)zinc(II) from powder data Acta Crystallographica Section C 58(5) (2002) m300-m301

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/27/2012718.cif $ #-------------------------------------------------------------------...

2,012,719

13.389

0.003

7.146

0.001

19.473

0.004

90

null

108.57

0.03

90

null

1,766.1

0.7

293

2

293

2

null

5

P 1 21/n 1

-P 2yn

14

catena-Poly-[[bis(cis-1-tert-butyltetrazole-κN^4^)copper(II)]-di-μ-chloro]

- C10 H20 Cl2 Cu N8 -

- C40 H80 Cl8 Cu4 N32 -

4

1

SK1540

Ivashkevich, Dmitry O.; Degtyarik, Mikhail M.; Gaponik, Pavel N.; Lyakhov, Alexander S.

catena-Poly[[bis(cis-1-tert-butyltetrazole-κN^4^)copper(II)]-di-μ-chloro]

Acta Crystallographica Section C

2,002

58

5

m288

m289

10.1107/S0108270102004754

0.71069

MoKα

0.058

0.043

null

0.117

0.127

null

1.048

null

has coordinates,has Fobs

Ivashkevich, Dmitry O.; Degtyarik, Mikhail M.; Gaponik, Pavel N.; Lyakhov, Alexander S. catena-Poly[[bis(cis-1-tert-butyltetrazole-κN^4^)copper(II)]-di-μ-chloro] Acta Crystallographica Section C 58(5) (2002) m288-m289

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/27/2012719.cif $ #-------------------------------------------------------------------...

2,012,720

10.2753

0.001

11.1003

0.001

15.6822

0.0015

70.406

0.01

82.483

0.01

74.161

0.01

1,619.6

0.3

120

2

120

2

null

6

P -1

-P 1

2

Tetraaquatetrakis(trimethylphosphine oxide-κO)cerium(III) trichloride trihydrate

- C12 H50 Ce Cl3 O11 P4 -

- C24 H100 Ce2 Cl6 O22 P8 -

2

1

SK1541

Hill, Nicholas J.; Leung, Lai-Shi; Levason, William; Webster, Michael

Tetraaquatetrakis(trimethylphosphine oxide-κO)cerium(III) trichloride trihydrate

Acta Crystallographica Section C

2,002

58

5

m295

m296

10.1107/S0108270102004766

0.71073

MoKα

0.032

0.027

null

0.061

0.064

null

1.029

null

has coordinates,has Fobs

Hill, Nicholas J.; Leung, Lai-Shi; Levason, William; Webster, Michael Tetraaquatetrakis(trimethylphosphine oxide-κO)cerium(III) trichloride trihydrate Acta Crystallographica Section C 58(5) (2002) m295-m296

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/27/2012720.cif $ #-------------------------------------------------------------------...

2,012,721

12.3971

0.0005

8.3608

0.0005

14.5237

0.0007

90

null

106.585

0.003

90

null

1,442.75

0.13

120

2

120

2

null

4

C 1 2/c 1

-C 2yc

15

2-Amino-4,6-dimethoxypyrimidine

- C6 H9 N3 O2 -

- C48 H72 N24 O16 -

8

1

SK1546

Low, John N.; Quesada, Antonio; Marchal, Antonio; Melguizo, Manuel; Nogueras, Manuel; Glidewell, Christopher

Hydrogen bonding in 2-amino-4,6-dimethoxypyrimidine, 2-benzylamino-4,6-bis(benzyloxy)pyrimidine and 2-amino-4,6-bis(N-pyrrolidino)pyrimidine: chains of fused rings and a centrosymmetric dimer

Acta Crystallographica Section C

2,002

58

5

o289

o294

10.1107/S0108270102005632

0.71073

MoKα

0.087

0.049

null

0.115

0.132

null

1.011

null

has coordinates,has Fobs

Low, John N.; Quesada, Antonio; Marchal, Antonio; Melguizo, Manuel; Nogueras, Manuel; Glidewell, Christopher Hydrogen bonding in 2-amino-4,6-dimethoxypyrimidine, 2-benzylamino-4,6-bis(benzyloxy)pyrimidine and 2-amino-4,6-bis(N-pyrrolidino)pyrimidine: chains of fused rings and a centrosymmetric dimer Acta Crystal...

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/27/2012721.cif $ #-------------------------------------------------------------------...

2,012,722

5.8083

0.0006

12.3104

0.0013

15.726

0.0016

68.549

0.002

85.978

0.002

82.737

0.002

1,037.81

0.19

120

2

120

2

null

4

P -1

-P 1

2

2-Benzylamino-4,6-bis(benzyloxy)pyrimidine

- C25 H23 N3 O2 -

- C50 H46 N6 O4 -

2

1

SK1546

Low, John N.; Quesada, Antonio; Marchal, Antonio; Melguizo, Manuel; Nogueras, Manuel; Glidewell, Christopher

Hydrogen bonding in 2-amino-4,6-dimethoxypyrimidine, 2-benzylamino-4,6-bis(benzyloxy)pyrimidine and 2-amino-4,6-bis(N-pyrrolidino)pyrimidine: chains of fused rings and a centrosymmetric dimer

Acta Crystallographica Section C

2,002

58

5

o289

o294

10.1107/S0108270102005632

0.71073

MoKα

0.056

0.041

null

0.105

0.111

null

1.067

null

has coordinates,has Fobs

Low, John N.; Quesada, Antonio; Marchal, Antonio; Melguizo, Manuel; Nogueras, Manuel; Glidewell, Christopher Hydrogen bonding in 2-amino-4,6-dimethoxypyrimidine, 2-benzylamino-4,6-bis(benzyloxy)pyrimidine and 2-amino-4,6-bis(N-pyrrolidino)pyrimidine: chains of fused rings and a centrosymmetric dimer Acta Crystal...

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/27/2012722.cif $ #-------------------------------------------------------------------...

2,012,723

12.5654

0.0008

13.2735

0.0008

14.2279

0.0009

90

null

93.09

0.002

90

null

2,369.6

0.3

120

2

120

2

null

3

C 1 2/c 1

-C 2yc

15

2-amino-4,6-bis(N-pyrrolidino)pyrimidine

- C12 H19 N5 -

- C96 H152 N40 -

8

1

SK1546

Low, John N.; Quesada, Antonio; Marchal, Antonio; Melguizo, Manuel; Nogueras, Manuel; Glidewell, Christopher

Hydrogen bonding in 2-amino-4,6-dimethoxypyrimidine, 2-benzylamino-4,6-bis(benzyloxy)pyrimidine and 2-amino-4,6-bis(N-pyrrolidino)pyrimidine: chains of fused rings and a centrosymmetric dimer

Acta Crystallographica Section C

2,002

58

5

o289

o294

10.1107/S0108270102005632

0.71073

MoKα

0.048

0.041

null

0.113

0.117

null

1.076

null

has coordinates,has Fobs

Low, John N.; Quesada, Antonio; Marchal, Antonio; Melguizo, Manuel; Nogueras, Manuel; Glidewell, Christopher Hydrogen bonding in 2-amino-4,6-dimethoxypyrimidine, 2-benzylamino-4,6-bis(benzyloxy)pyrimidine and 2-amino-4,6-bis(N-pyrrolidino)pyrimidine: chains of fused rings and a centrosymmetric dimer Acta Crystal...

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/27/2012723.cif $ #-------------------------------------------------------------------...

2,012,724

13.2963

0.0002

13.2963

0.0002

20.6366

0.0005

90

null

90

null

90

null

3,648.38

0.12

150

1

150

1

null

5

P 41

P 4w

76

bis{μ-2,2'-[hexane-1,6-diylbis(nitrilomethylidyne)]diphenolato- 1:2κ^4^O,N:N',O'}dicopper(II)

- C40 H44 Cu2 N4 O4 -

- C160 H176 Cu8 N16 O16 -

4

1

SK1547

Friščić, Tomislav; Lough, Alan J.; Ferguson, George; Kaitner, Branko

Enantiomeric bis(μ-N,N'-hexamethylenedisalicylaldiminato)dicopper(II) complexes

Acta Crystallographica Section C

2,002

58

5

m313

m315

10.1107/S0108270102006297

0.71073

MoKα

0.084

0.046

null

0.094

0.108

null

0.995

null

has coordinates,has disorder,has Fobs

Friščić, Tomislav; Lough, Alan J.; Ferguson, George; Kaitner, Branko Enantiomeric bis(μ-N,N'-hexamethylenedisalicylaldiminato)dicopper(II) complexes Acta Crystallographica Section C 58(5) (2002) m313-m315

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/27/2012724.cif $ #-------------------------------------------------------------------...

2,012,725

13.3288

0.0002

13.3288

0.0002

20.5834

0.0007

90

null

90

null

90

null

3,656.78

0.15

150

1

150

1

null

5

P 43

P 4cw

78

bis{μ-2,2'-[hexane-1,6-diylbis(nitrilomethylidyne)]diphenolato- 1:2κ^4^O,N:N',O'}dicopper(II)

- C40 H44 Cu2 N4 O4 -

- C160 H176 Cu8 N16 O16 -

4

1

SK1547

Friščić, Tomislav; Lough, Alan J.; Ferguson, George; Kaitner, Branko

Enantiomeric bis(μ-N,N'-hexamethylenedisalicylaldiminato)dicopper(II) complexes

Acta Crystallographica Section C

2,002

58

5

m313

m315

10.1107/S0108270102006297

0.71073

MoKα

0.113

0.049

null

0.081

0.098

null

0.956

null

has coordinates,has disorder,has Fobs

Friščić, Tomislav; Lough, Alan J.; Ferguson, George; Kaitner, Branko Enantiomeric bis(μ-N,N'-hexamethylenedisalicylaldiminato)dicopper(II) complexes Acta Crystallographica Section C 58(5) (2002) m313-m315

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/27/2012725.cif $ #-------------------------------------------------------------------...

2,012,726

12.9408

0.0007

15.5347

0.0008

17.5303

0.0009

90

null

92.092

0.001

90

null

3,521.8

0.3

213

2

213

2

null

6

P 1 21/c 1

-P 2ybc

14

Tetrakis(μ-benzothiazole-2-thiolato)-1:2κ^4^N:S^2^;1:2κ^4^S^2^:N- dichloro-1κCl,2κCl-dirhenium(III)(Re-Re) dichloromethane solvate

- C29 H18 Cl4 N4 Re2 S8 -

- C116 H72 Cl16 N16 Re8 S32 -

4

1

TA1364

Horne, Keri T.; Powell, Gregory L.; Daniels, Lee M.

Tetrakis(μ-benzothiazole-2-thiolato)-1:2κ^4^N:S^2^;1:2κ^4^S^2^:N-dichloro-1κCl,2κCl-dirhenium(III)(Re—Re) dichloromethane solvate: a bridged complex with a long Re—Re quadruple bond

Acta Crystallographica Section C

2,002

58

5

m292

m294

10.1107/S0108270102004249

0.71073

MoKα

0.038

0.025

null

0.047

0.051

null

0.976

null

has coordinates,has Fobs

Horne, Keri T.; Powell, Gregory L.; Daniels, Lee M. Tetrakis(μ-benzothiazole-2-thiolato)-1:2κ^4^N:S^2^;1:2κ^4^S^2^:N-dichloro-1κCl,2κCl-dirhenium(III)(Re—Re) dichloromethane solvate: a bridged complex with a long Re—Re quadruple bond Acta Crystallographica Section...

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/27/2012726.cif $ #-------------------------------------------------------------------...

2,012,727

15.5374

0.0007

20.7751

0.0009

22.3924

0.001

90

null

90

null

90

null

7,228.1

0.6

213

2

213

2

null

5

P b c a

-P 2ac 2ab

61

Pentachloro-1κ^3^Cl,2κ^2^Cl-tris(diethylphenylphosphino)-1κP,2κ^2^P- dirhenium(II,III)(Re—Re)

- C30 H45 Cl5 P3 Re2 -

- C240 H360 Cl40 P24 Re16 -

8

1

TA1365

Horne, Keri T.; Powell, Gregory L.; Daniels, Lee M.

Pentachloro-1,3,6-tris(diethylphenylphosphino)dirhenium(II,III)

Acta Crystallographica Section C

2,002

58

5

m302

m303

10.1107/S0108270102005644

0.71073

MoKα

0.0586

0.031

null

0.0441

0.0484

null

1.006

null

has coordinates,has Fobs

Horne, Keri T.; Powell, Gregory L.; Daniels, Lee M. Pentachloro-1,3,6-tris(diethylphenylphosphino)dirhenium(II,III) Acta Crystallographica Section C 58(5) (2002) m302-m303

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/27/2012727.cif $ #-------------------------------------------------------------------...

2,012,728

11.732

0.004

18.415

0.006

13.703

0.005

90

null

92.842

0.005

90

null

2,956.8

1.8

168

2

168

2

null

5

P 1 21/n 1

-P 2yn

14

bis(2,2'-methyliminodiethanolato)-1κ^3^O,N,O';3κ^3^O,N,O'-di-μ~3~-propane- 1,3-diolato-1:2:3-κ^4^O:O,O':O'-μ-propane-1,3-diolato-1:3κ^2^O:O'-propane- 1,3-diolato-2κ^2^O,O'-trititanium(IV)

- C22 H46 N2 O12 Ti3 -

- C88 H184 N8 O48 Ti12 -

4

1

TA1372

Kemmitt, Tim; Gainsford, Graeme J.; Robson-Marsden, Hana

Multiple bridging modes in a novel trinuclear titanium 1,3-dioxypropane compound, Ti~3~(methyliminodiethanolate)~2~(1,3-propanediolate)~4~

Acta Crystallographica Section C

2,002

58

5

m310

m312

10.1107/S0108270102006273

0.71073

MoKα

0.063

0.044

null

0.108

0.121

null

1.088

null

has coordinates,has disorder,has Fobs

Kemmitt, Tim; Gainsford, Graeme J.; Robson-Marsden, Hana Multiple bridging modes in a novel trinuclear titanium 1,3-dioxypropane compound, Ti~3~(methyliminodiethanolate)~2~(1,3-propanediolate)~4~ Acta Crystallographica Section C 58(5) (2002) m310-m312

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/27/2012728.cif $ #-------------------------------------------------------------------...

2,012,729

15.684

0.004

8.64

0.002

14.916

0.004

90

null

104.528

0.005

90

null

1,956.6

0.9

293

2

293

2

null

6

P 1 2/c 1

-P 2yc

13

Dichlorobis(N-propylimidazolidine-S)cobalt(II)

- C12 H24 Cl2 Co N4 S2 -

- C48 H96 Cl8 Co4 N16 S8 -

4

1

TR1016

Castro, Jesús; Pérez Lourido, Paulo; Sousa-Pedrares, Antonio; Labisbal, Elena; Piso, José; García-Vázquez, José Arturo

Dichlorobis(1-propylimidazolidine-2-thione-κS)cobalt(II)

Acta Crystallographica Section C

2,002

58

5

m319

m322

10.1107/S0108270102006285

0.71073

MoKα

0.1751

0.0485

null

0.1304

0.1733

null

0.857

null

has coordinates

Castro, Jesús; Pérez Lourido, Paulo; Sousa-Pedrares, Antonio; Labisbal, Elena; Piso, José; García-Vázquez, José Arturo Dichlorobis(1-propylimidazolidine-2-thione-κS)cobalt(II) Acta Crystallographica Section C 58(5) (2002) m319-m322

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/27/2012729.cif $ #-------------------------------------------------------------------...

2,012,730

14.596

0.001

14.753

0.001

28.531

0.004

90

null

90

null

90

null

6,143.7

1

173

2

173

2

null

5

P b c a

-P 2ac 2ab

61

- C32 H39 N O7 Si -

- C256 H312 N8 O56 Si8 -

8

1

BK1630

Hadimani, Mallinath B.; Kessler, Raymond J.; Kautz, Jason A.; Ghatak, Anjan; Shirali, Anupama R.; O'Dell, Heather; Garner, Charles M.; Pinney, Kevin G.

2-(3-tert-Butyldimethylsiloxy-4-methoxyphenyl)-6-methoxy-3-(3,4,5-trimethoxybenzoyl)indole

Acta Crystallographica Section C

2,002

58

6

o330

o332

10.1107/S0108270102003669

0.71073

MoKα

0.0877

0.0483

null

0.0968

0.1273

null

1.08

null

has coordinates,has Fobs

Hadimani, Mallinath B.; Kessler, Raymond J.; Kautz, Jason A.; Ghatak, Anjan; Shirali, Anupama R.; O'Dell, Heather; Garner, Charles M.; Pinney, Kevin G. 2-(3-tert-Butyldimethylsiloxy-4-methoxyphenyl)-6-methoxy-3-(3,4,5-trimethoxybenzoyl)indole Acta Crystallographica Section C 58(6) (2002) o330-o332

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/27/2012730.cif $ #-------------------------------------------------------------------...

2,012,731

6.58

0.001

9.186

0.001

4.8966

0.0007

91.52

0.01

103.52

0.01

74.78

0.01

277.48

0.07

293

2

293

2

null

3

P -1

-P 1

2

(±)-tartaric acid

(2R/S,3R/S)-dihydroxy-1,4-butanedioic acid

- C4 H6 O6 -

- C8 H12 O12 -

2

1

BK1636

Luner, Paul E.; Patel, Aditya D.; Swenson, Dale C.

(±)-Tartaric acid

Acta Crystallographica Section C

2,002

58

6

o333

o335

10.1107/S0108270102006650

0.71073

MoKα

0.0394

0.0331

null

0.0953

0.1012

null

1.061

null

has coordinates,has Fobs

Luner, Paul E.; Patel, Aditya D.; Swenson, Dale C. (±)-Tartaric acid Acta Crystallographica Section C 58(6) (2002) o333-o335

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/27/2012731.cif $ #-------------------------------------------------------------------...

2,012,732

7.18

0.004

8.43

0.005

12.688

0.01

90

null

101.46

0.08

90

null

752.7

0.9

293

2

293

2

null

3

P 1 21 1

P 2yb

4

Methyl 2-O-β-D-glucopyranosyl-α-L-rhamnopyranoside

- C13 H24 O10 -

- C26 H48 O20 -

2

1

BM1489

Eriksson, Lars; Stenutz, Roland; Widmalm, Göran

Methyl 2-O-β-D-glucopyranosyl-α-L-rhamnopyranoside

Acta Crystallographica Section C

2,002

58

6

o328

o329

10.1107/S0108270102005905

0.71073

MoKα

0.049

0.037

null

0.085

0.087

null

1.073

null

has coordinates,has Fobs

Eriksson, Lars; Stenutz, Roland; Widmalm, Göran Methyl 2-O-β-D-glucopyranosyl-α-L-rhamnopyranoside Acta Crystallographica Section C 58(6) (2002) o328-o329

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/27/2012732.cif $ #-------------------------------------------------------------------...

2,012,733

10.1284

0.0008

11.8155

0.001

12.5299

0.001

110.852

0.002

93.855

0.002

96.043

0.002

1,384.6

0.2

143

2

143

2

null

5

P -1

-P 1

2

Polymeric methylenebis(diphenylphosphine oxide) hydrogen triiodide

- C25 H23 I3 O2 P2 -

- C50 H46 I6 O4 P4 -

2

1

BM1492

Boraei, Ahmed A.; du Mont, Wolf-W.; Ruthe, Frank; Jones, Peter G.

Polymeric methylenebis(diphenylphosphine oxide) hydrogen triiodide

Acta Crystallographica Section C

2,002

58

6

o318

o320

10.1107/S0108270102005930

0.71073

MoKα

0.044

0.035

null

0.089

0.093

null

1.028

null

has coordinates,has Fobs

Boraei, Ahmed A.; du Mont, Wolf-W.; Ruthe, Frank; Jones, Peter G. Polymeric methylenebis(diphenylphosphine oxide) hydrogen triiodide Acta Crystallographica Section C 58(6) (2002) o318-o320

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/27/2012733.cif $ #-------------------------------------------------------------------...

2,012,734

8.609

0.002

14.232

0.003

14.752

0.003

90

null

97.5

0.02

90

null

1,792

0.7

293

2

293

2

null

3

P 1 21/n 1

-P 2yn

14

(η^5^-4,7-dimethylindenyl)(η^5^-pentamethylcyclopentadienyl)ruthenium(II)

- C21 H26 Ru -

- C84 H104 Ru4 -

4

1

BM1496

Jones, Peter G.; Hartig, Thorsten; Hopf, Henning

Three ruthenocene derivatives: (η^5^-4,7-dimethylindenyl)(η^5^-pentamethylcyclopentadienyl)ruthenium(II), [η^5^-[2](4,7)indeno[2]paracyclophanyl](η^5^-pentamethylcyclopentadienyl)ruthenium(II) and bis[η^5^-[2](4,7)indeno[2]paracyclophanyl]ruthenium(II)

Acta Crystallographica Section C

2,002

58

6

m347

m350

10.1107/S0108270102008090

0.71073

MoKα

0.037

0.024

null

0.052

0.056

null

1.1

null

has coordinates,has Fobs

Jones, Peter G.; Hartig, Thorsten; Hopf, Henning Three ruthenocene derivatives: (η^5^-4,7-dimethylindenyl)(η^5^-pentamethylcyclopentadienyl)ruthenium(II), [η^5^-[2](4,7)indeno[2]paracyclophanyl](η^5^-pentamethylcyclopentadienyl)ruthenium(II) and bis[η^5^-[2](4,7)indeno[2]paracyclophanyl]ruthenium(II) Acta Crystallograp...

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/27/2012734.cif $ #-------------------------------------------------------------------...

2,012,735

11.648

0.002

14.757

0.003

13.798

0.003

90

null

103.134

0.015

90

null

2,309.7

0.8

293

2

293

2

null

3

P 1 21/n 1

-P 2yn

14

(η^5^-[2](4,7)indeno[2]paracyclophanyl)(η^5^-pentamethylcyclopentadienyl) ruthenium(II)

- C29 H32 Ru -

- C116 H128 Ru4 -

4

1

BM1496

Jones, Peter G.; Hartig, Thorsten; Hopf, Henning

Three ruthenocene derivatives: (η^5^-4,7-dimethylindenyl)(η^5^-pentamethylcyclopentadienyl)ruthenium(II), [η^5^-[2](4,7)indeno[2]paracyclophanyl](η^5^-pentamethylcyclopentadienyl)ruthenium(II) and bis[η^5^-[2](4,7)indeno[2]paracyclophanyl]ruthenium(II)

Acta Crystallographica Section C

2,002

58

6

m347

m350

10.1107/S0108270102008090

0.71073

MoKα

0.029

0.021

null

0.055

0.058

null

1.069

null

has coordinates,has Fobs

Jones, Peter G.; Hartig, Thorsten; Hopf, Henning Three ruthenocene derivatives: (η^5^-4,7-dimethylindenyl)(η^5^-pentamethylcyclopentadienyl)ruthenium(II), [η^5^-[2](4,7)indeno[2]paracyclophanyl](η^5^-pentamethylcyclopentadienyl)ruthenium(II) and bis[η^5^-[2](4,7)indeno[2]paracyclophanyl]ruthenium(II) Acta Crystallograp...

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/27/2012735.cif $ #-------------------------------------------------------------------...

2,012,736

12.62

0.003

17.026

0.004

13.005

0.003

90

null

95.92

0.02

90

null

2,779.5

1.1

293

2

293

2

null

3

P 1 21/n 1

-P 2yn

14

bis(η^5^-[2](4,7)indeno[2]paracyclophanyl)ruthenium(II)

- C38 H34 Ru -

- C152 H136 Ru4 -

4

1

BM1496

Jones, Peter G.; Hartig, Thorsten; Hopf, Henning

Three ruthenocene derivatives: (η^5^-4,7-dimethylindenyl)(η^5^-pentamethylcyclopentadienyl)ruthenium(II), [η^5^-[2](4,7)indeno[2]paracyclophanyl](η^5^-pentamethylcyclopentadienyl)ruthenium(II) and bis[η^5^-[2](4,7)indeno[2]paracyclophanyl]ruthenium(II)

Acta Crystallographica Section C

2,002

58

6

m347

m350

10.1107/S0108270102008090

0.71073

MoKα

0.039

0.029

null

0.073

0.079

null

1.032

null

has coordinates,has Fobs

Jones, Peter G.; Hartig, Thorsten; Hopf, Henning Three ruthenocene derivatives: (η^5^-4,7-dimethylindenyl)(η^5^-pentamethylcyclopentadienyl)ruthenium(II), [η^5^-[2](4,7)indeno[2]paracyclophanyl](η^5^-pentamethylcyclopentadienyl)ruthenium(II) and bis[η^5^-[2](4,7)indeno[2]paracyclophanyl]ruthenium(II) Acta Crystallograp...

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/27/2012736.cif $ #-------------------------------------------------------------------...

2,012,737

7.147

0.008

12.283

0.014

14.016

0.016

90

null

90.49

0.07

90

null

1,230

2

293

2

293

2

null

4

C 1 2/c 1

-C 2yc

15

Lithium Barium Diphosphate

Dilithium barium diphosphate

- Ba Li2 O7 P2 -

- Ba8 Li16 O56 P16 -

8

1

BR1355

Dridi, Nezha; Arbib, E.; Boukhari, Ali; Holt, Elizabeth M.

Dilithium barium diphosphate

Acta Crystallographica Section C

2,002

58

6

i74

i75

10.1107/S0108270102006741

0.71073

MoKα

0.071

0.062

null

0.185

0.189

null

1.489

null

has coordinates,has Fobs

Dridi, Nezha; Arbib, E.; Boukhari, Ali; Holt, Elizabeth M. Dilithium barium diphosphate Acta Crystallographica Section C 58(6) (2002) i74-i75

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/27/2012737.cif $ #-------------------------------------------------------------------...

2,012,738

5.345

0.001

26.62

0.004

6.559

0.001

90

null

107.28

0.01

90

null

891.1

0.3

293

2

293

2

null

4

P 1 21/m 1

-P 2yb

11

Sodium hexamanganese bis(diphosphate) triphosphate

- Mn6 Na O24 P7 -

- Mn12 Na2 O48 P14 -

2

0.5

BR1364

Bennazha, J.; El-Maadi, A.; Boukhari, Ali; Holt, Elizabeth M.

NaMn~6~(P~2~O~7~)~2~(P~3~O~10~) and KCd~6~(P~2~O~7~)~2~(P~3~O~10~)

Acta Crystallographica Section C

2,002

58

6

i76

i78

10.1107/S0108270102006753

0.71073

MoKα

0.09

0.05

null

0.076

0.088

null

1.026

null

has coordinates,has Fobs

Bennazha, J.; El-Maadi, A.; Boukhari, Ali; Holt, Elizabeth M. NaMn~6~(P~2~O~7~)~2~(P~3~O~10~) and KCd~6~(P~2~O~7~)~2~(P~3~O~10~) Acta Crystallographica Section C 58(6) (2002) i76-i78

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/27/2012738.cif $ #-------------------------------------------------------------------...

2,012,739

5.479

0.001

27.112

0.006

6.769

0.001

90

null

107.11

0.02

90

null

961

0.3

293

2

293

2

null

4

P 1 21/m 1

-P 2yb

11

Potassium hexacadmium bis(diphosphate) triphosphate

- Cd6 K O24 P7 -

- Cd12 K2 O48 P14 -

2

0.5

BR1364

Bennazha, J.; El-Maadi, A.; Boukhari, Ali; Holt, Elizabeth M.

NaMn~6~(P~2~O~7~)~2~(P~3~O~10~) and KCd~6~(P~2~O~7~)~2~(P~3~O~10~)

Acta Crystallographica Section C

2,002

58

6

i76

i78

10.1107/S0108270102006753

0.71073

MoKα

0.048

0.04

null

0.117

0.124

null

1.005

null

has coordinates,has Fobs

Bennazha, J.; El-Maadi, A.; Boukhari, Ali; Holt, Elizabeth M. NaMn~6~(P~2~O~7~)~2~(P~3~O~10~) and KCd~6~(P~2~O~7~)~2~(P~3~O~10~) Acta Crystallographica Section C 58(6) (2002) i76-i78

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/27/2012739.cif $ #-------------------------------------------------------------------...

2,012,740

5.2465

0.0006

5.2465

0.0006

23.702

0.003

90

null

90

null

120

null

565.01

0.12

295

null

295

null

4

R -3 m :H

-R 3 2"

166

hydrocerussite

lead carbonate hydroxide

- C2 H2 O8 Pb3 -

- C2 O7.9998 Pb2.99996 -

- C6 O23.9994 Pb8.99988 -

3

0.083333

BR1365

Martinetto, Pauline; Anne, Michel; Dooryhée, Eric; Walter, Philippe; Tsoucaris, Georges

Synthetic hydrocerussite, 2PbCO~3~·Pb(OH)~2~, by X-ray powder diffraction

Acta Crystallographica Section C

2,002

58

6

i82

i84

10.1107/S0108270102006844

0.35324

synchrotron

null

1.66

null

has coordinates

Martinetto, Pauline; Anne, Michel; Dooryhée, Eric; Walter, Philippe; Tsoucaris, Georges Synthetic hydrocerussite, 2PbCO~3~·Pb(OH)~2~, by X-ray powder diffraction Acta Crystallographica Section C 58(6) (2002) i82-i84

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/27/2012740.cif $ #-------------------------------------------------------------------...

2,012,741

15.4727

0.0012

7.782

0.0009

6.5009

0.0007

90

null

90

null

90

null

782.76

0.14

293

2

293

2

null

5

P n m a

-P 2ac 2n

62

potassium zinc hydrogen pyrophosphate dihydrate

- H5 K O9 P2 Zn -

- H20 K4 O36 P8 Zn4 -

4

0.5

BR1366

Assaaoudi, Hassane; Ennaciri, Abdelaziz; Harcharras, Mohamed; El Bali, Brahim; Reinauer, Felix; Glaum, Robert; Rulmont, André; Spirlet, Marie-Rose

KZn(HP~2~O~7~)·2H~2~O and KMn(HP~2~O~7~)·2H~2~O: acid pyrophosphate metallates(II) with layer structures

Acta Crystallographica Section C

2,002

58

6

i79

i81

10.1107/S0108270102007394

0.71073

MoKα

0.0278

0.0252

null

0.0645

0.0661

null

1.108

null

has coordinates,has Fobs

Assaaoudi, Hassane; Ennaciri, Abdelaziz; Harcharras, Mohamed; El Bali, Brahim; Reinauer, Felix; Glaum, Robert; Rulmont, André; Spirlet, Marie-Rose KZn(HP~2~O~7~)·2H~2~O and KMn(HP~2~O~7~)·2H~2~O: acid pyrophosphate metallates(II) with layer structures Acta Crystallographica Section C 58(6) (2002) i79-i81

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/27/2012741.cif $ #-------------------------------------------------------------------...

2,012,742

15.7186

0.0005

7.8706

0.0005

6.5297

0.0005

90

null

90

null

90

null

807.82

0.08

293

2

293

2

null

5

P n m a

-P 2ac 2n

62

potassium manganese(II) hydrogenpyrophosphate dihydrate

- H5 K Mn O9 P2 -

- H20 K4 Mn4 O36 P8 -

4

0.5

BR1366

Assaaoudi, Hassane; Ennaciri, Abdelaziz; Harcharras, Mohamed; El Bali, Brahim; Reinauer, Felix; Glaum, Robert; Rulmont, André; Spirlet, Marie-Rose

KZn(HP~2~O~7~)·2H~2~O and KMn(HP~2~O~7~)·2H~2~O: acid pyrophosphate metallates(II) with layer structures

Acta Crystallographica Section C

2,002

58

6

i79

i81

10.1107/S0108270102007394

0.71073

MoKα

0.0316

0.0241

null

0.0586

0.0613

null

1.061

null

has coordinates

Assaaoudi, Hassane; Ennaciri, Abdelaziz; Harcharras, Mohamed; El Bali, Brahim; Reinauer, Felix; Glaum, Robert; Rulmont, André; Spirlet, Marie-Rose KZn(HP~2~O~7~)·2H~2~O and KMn(HP~2~O~7~)·2H~2~O: acid pyrophosphate metallates(II) with layer structures Acta Crystallographica Section C 58(6) (2002) i79-i81

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/27/2012742.cif $ #-------------------------------------------------------------------...

2,012,743

9.3025

0.0008

9.3025

0.0008

25.9412

0.0018

90

null

90

null

120

null

1,944.1

0.3

273

2

273

2

null

4

R -3 :H

-R 3

148

Niobium chloride

Dipotassium strontium hexaniobium octadecachloride

- Cl18 K2 Nb6 Sr -

- Cl54 K6 Nb18 Sr3 -

3

0.166667

BR1367

Duraisamy, Thirumalai; Lachgar, Abdessadek

K~2~SrNb~6~Cl~18~, dipotassium strontium hexaniobium octadecachloride

Acta Crystallographica Section C

2,002

58

6

i85

i86

10.1107/S010827010200687X

0.71073

MoKα

0.0425

0.0307

null

0.0672

0.0725

null

0.897

null

has coordinates,has Fobs

Duraisamy, Thirumalai; Lachgar, Abdessadek K~2~SrNb~6~Cl~18~, dipotassium strontium hexaniobium octadecachloride Acta Crystallographica Section C 58(6) (2002) i85-i86

176,435

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/27/2012743.cif $ #-------------------------------------------------------------------...

2,012,744

9.729

0.002

9.823

0.002

19.392

0.004

81.92

0.03

80.28

0.03

80.34

0.03

1,788.7

0.7

200

3

200

3

null

5

P -1

-P 1

2

Hexaaquadodeca-μ-bromo-octahedro-hexatantalum bromide chloride octahydrate

- Br12.4 Cl1.6 H28 O14 Ta6 -

- Br12.397 Cl1.603 O14 Ta6 -

- Br24.794 Cl3.206 O28 Ta12 -

2

1

BR1370

Vojnović, Marija; Perić, Berislav; Planinić, Pavica; Giester, Gerald; Brničević, Nevenka

Hexaaquadodeca-μ-bromo-octahedro-hexatantalum bromide chloride octahydrate

Acta Crystallographica Section C

2,002

58

6

i71

i73

10.1107/S0108270102006856

0.71073

MoKa

0.0459

0.0305

null

0.0589

0.0626

null

1.044

null

has coordinates,has Fobs

Vojnović, Marija; Perić, Berislav; Planinić, Pavica; Giester, Gerald; Brničević, Nevenka Hexaaquadodeca-μ-bromo-octahedro-hexatantalum bromide chloride octahydrate Acta Crystallographica Section C 58(6) (2002) i71-i73

176,435

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/27/2012744.cif $ #-------------------------------------------------------------------...

2,012,745

14.829

0.003

16.1465

0.0019

19.282

0.003

90

null

91.27

0.02

90

null

4,615.7

1.3

293

2

293

2

null

7

P 1 21/c 1

-P 2ybc

14

Polymeric bis(N,N-dimethylacetamide)tetrakis(thiocyanato)cadmium(II)mercury(II)

- C24 H36 Cd2 Hg2 N12 O4 S8 -

- C96 H144 Cd8 Hg8 N48 O16 S32 -

4

1

DA1215

Wang, Xin Qiang; Yu, Wen Tao; Xu, Dong; Lu, Meng Kai; Yuan, Duo Rong; Lu, Guang Tian

Polymeric bis(N,N-dimethylacetamide)tetrakis(thiocyanato)cadmium(II)mercury(II)

Acta Crystallographica Section C

2,002

58

6

m341

m343

10.1107/S0108270102005942

0.71073

MoKα

0.1225

0.0536

null

0.099

0.1211

null

1.001

null

has coordinates,has disorder,has Fobs

Wang, Xin Qiang; Yu, Wen Tao; Xu, Dong; Lu, Meng Kai; Yuan, Duo Rong; Lu, Guang Tian Polymeric bis(N,N-dimethylacetamide)tetrakis(thiocyanato)cadmium(II)mercury(II) Acta Crystallographica Section C 58(6) (2002) m341-m343

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/27/2012745.cif $ #-------------------------------------------------------------------...

2,012,746

9.4742

0.0008

19.287

0.001

33.032

0.002

90

null

90

null

90

null

6,035.9

0.7

293

2

293

2

null

5

P b c a

-P 2ac 2ab

61

4-Oxo-4,5-dihydropyrazolo[3,4-d]pyrimidine

6-methylsulfanyl-1-(3-phenylpropyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidine- 4-one

- C15 H16 N4 O S -

- C240 H256 N64 O16 S16 -

16

2

DE1182

Avasthi, Kamlakar; Rawat, Diwan S.; Sarkhel, Sanjay; Maulik, Prakas R.

A dimeric layered structure of a 4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidine compound

Acta Crystallographica Section C

2,002

58

6

o325

o327

10.1107/S0108270102006649

1.5418

CuKα

0.064

0.049

null

0.169

0.19

null

1.523

null

has coordinates,has Fobs

Avasthi, Kamlakar; Rawat, Diwan S.; Sarkhel, Sanjay; Maulik, Prakas R. A dimeric layered structure of a 4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidine compound Acta Crystallographica Section C 58(6) (2002) o325-o327

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/27/2012746.cif $ #-------------------------------------------------------------------...

2,012,747

9.1442

0.0018

12.448

0.003

14.518

0.003

90.19

0.03

92.4

0.03

91.1

0.03

1,650.8

0.6

293

2

293

2

null

6

P -1

-P 1

2

triaqua-1κ^3^O-μ-cyano-1:2κ^2^N:C-pentacyano-2κ^5^C-tetrakis -(2-pyrrolidone-1κO)chromium(III)dysprosium(III) dihydrate

- C22 H38 Cr Dy N10 O9 -

- C44 H76 Cr2 Dy2 N20 O18 -

2

1

DE1183

Kou, Hui-Zhong; Gao, Song; Wang, Ru-Ji

A cyano-bridged dinuclear 4f‒3d array

Acta Crystallographica Section C

2,002

58

6

m325

m326

10.1107/S0108270102005966

0.71073

MoKα

0.0318

0.0291

null

0.0726

0.0736

null

1.127

null

has coordinates,has Fobs

Kou, Hui-Zhong; Gao, Song; Wang, Ru-Ji A cyano-bridged dinuclear 4f‒3d array Acta Crystallographica Section C 58(6) (2002) m325-m326

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/27/2012747.cif $ #-------------------------------------------------------------------...

2,012,748

10.4684

0.0004

10.3551

0.0003

9.4337

0.0003

90

null

96.939

0.002

90

null

1,015.14

0.06

293

2

293

2

null

6

P 1 21/c 1

-P 2ybc

14

Dichlorobis(pyridine-κN)bis(3,3,3-trifluoropropyl-κC^1^)tin(IV)

- C16 H18 Cl2 F6 N2 Sn -

- C32 H36 Cl4 F12 N4 Sn2 -

2

0.5

DN1011

Allouchi, Hassan; Cotrait, Michel; Jousseaume, Bernard; Rascle, Marie-Claude; Toupance, Thierry

Dichlorobis(pyridine-κN)bis(3,3,3-trifluoropropyl-κC^1^)tin(IV)

Acta Crystallographica Section C

2,002

58

6

m363

m364

10.1107/S0108270102007874

0.71069

MoKα

0.071

0.039

null

0.078

0.085

null

0.99

null

has coordinates,has Fobs

Allouchi, Hassan; Cotrait, Michel; Jousseaume, Bernard; Rascle, Marie-Claude; Toupance, Thierry Dichlorobis(pyridine-κN)bis(3,3,3-trifluoropropyl-κC^1^)tin(IV) Acta Crystallographica Section C 58(6) (2002) m363-m364

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/27/2012748.cif $ #-------------------------------------------------------------------...

2,012,749

29.982

0.005

14.154

0.003

27.612

0.002

90

null

137.36

0.03

90

null

7,937

5

293

null

293

null

3

C 1 2/c 1

-C 2yc

15

13,21,35,43-tetramethyl-3,6,9,17,25,28,31,39,46,49- decaoxaheptacyclo[21.21.3^1,23^.3^11,33^.0^2,41^.0^10,15^.0^19,24^.0^32,37^] pentaconta-1,10,12,14,19,21,23,32,34,36,41,43-dodecaene

- C44 H52 O10 -

- C352 H416 O80 -

8

1

FG1641

Masci, Bernardo; Colapietro, Marcello; Portalone, Gustavo; Saccheo, Stefano

1,3-Bridged p-methyloctahomotetraoxacalix[4]arene‒bis-crown-3

Acta Crystallographica Section C

2,002

58

6

o345

o346

10.1107/S0108270102006868

0.71069

MoKα

0.052

null

0.067

null

0.853

null

0.853

null

has coordinates,has Fobs

Masci, Bernardo; Colapietro, Marcello; Portalone, Gustavo; Saccheo, Stefano 1,3-Bridged p-methyloctahomotetraoxacalix[4]arene‒bis-crown-3 Acta Crystallographica Section C 58(6) (2002) o345-o346

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/27/2012749.cif $ #-------------------------------------------------------------------...

2,012,750

9.5705

0.0007

11.7377

0.0009

12.4726

0.0011

97.011

0.003

107.571

0.004

102.297

0.006

1,278.71

0.18

170

2

170

2

null

5

P -1

-P 1

2

Tri-n-butyltin-N-(1-naphthyl)-maleamate

- C26 H37 N O3 Sn -

- C52 H74 N2 O6 Sn2 -

2

1

FG1647

Parvez, Masood; Ali, Saqib; Ahmad, Sajjad; Bhatti, Moazzam Hussain; Mazhar, Muhammad

catena-Poly[[tri-n-butyltin]-μ-N-(1-naphthyl)maleamato]

Acta Crystallographica Section C

2,002

58

6

m334

m335

10.1107/S0108270102007539

0.71073

MoKα

0.076

0.061

null

0.16

0.169

null

1.13

null

has coordinates,has Fobs

Parvez, Masood; Ali, Saqib; Ahmad, Sajjad; Bhatti, Moazzam Hussain; Mazhar, Muhammad catena-Poly[[tri-n-butyltin]-μ-N-(1-naphthyl)maleamato] Acta Crystallographica Section C 58(6) (2002) m334-m335

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/27/2012750.cif $ #-------------------------------------------------------------------...

2,012,751

7.6862

0.0006

11.8902

0.0009

13.3644

0.0011

109.492

0.003

92.902

0.004

101.347

0.004

1,119.9

0.16

100

2

100

2

null

5

P -1

-P 1

2

I

bis(2,2'-bipyridine)nitrocopper(II) nitrate methanol solvate

- C21 H20 Cu N6 O7 -

- C42 H40 Cu2 N12 O14 -

2

1

FR1363

Zavalij, Peter Y.; Burton, Benjamin L.; Jones Jr, Wayne E.

New structures in the bipyridine–copper(II) nitrate–methanol system: [(bpy)~2~Cu(NO~3~)]NO~3~·CH~3~OH and [(bpy)~2~Cu(NO~3~)]NO~3~

Acta Crystallographica Section C

2,002

58

6

m330

m333

10.1107/S010827010200690X

0.71073

MoKα

0.0443

0.0362

null

0.0969

0.1001

null

1.068

null

has coordinates,has Fobs

Zavalij, Peter Y.; Burton, Benjamin L.; Jones Jr, Wayne E. New structures in the bipyridine–copper(II) nitrate–methanol system: [(bpy)~2~Cu(NO~3~)]NO~3~·CH~3~OH and [(bpy)~2~Cu(NO~3~)]NO~3~ Acta Crystallographica Section C 58(6) (2002) m330-m333

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/27/2012751.cif $ #-------------------------------------------------------------------...

2,012,752

12.347

0.003

26.54

0.006

7.1648

0.0016

90

null

119.129

0.004

90

null

2,050.9

0.8

295

2

295

2

null

5

C 1 2/c 1

-C 2yc

15

II

catena-poly[[[bis(2,2'-bipyridine)copper(II)]-μ-nitrato-O:O'] nitrate]

- C20 H16 Cu N6 O6 -

- C80 H64 Cu4 N24 O24 -

4

0.5

FR1363

Zavalij, Peter Y.; Burton, Benjamin L.; Jones Jr, Wayne E.

New structures in the bipyridine‒copper(II) nitrate‒methanol system: [(bpy)~2~Cu(NO~3~)]NO~3~·CH~3~OH and [(bpy)~2~Cu(NO~3~)]NO~3~

Acta Crystallographica Section C

2,002

58

6

m330

m333

10.1107/S010827010200690X

0.71073

MoKα

0.0989

0.0594

null

0.1252

0.1394

null

1.04

null

has coordinates,has Fobs

Zavalij, Peter Y.; Burton, Benjamin L.; Jones Jr, Wayne E. New structures in the bipyridine‒copper(II) nitrate‒methanol system: [(bpy)~2~Cu(NO~3~)]NO~3~·CH~3~OH and [(bpy)~2~Cu(NO~3~)]NO~3~ Acta Crystallographica Section C 58(6) (2002) m330-m333

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/27/2012752.cif $ #-------------------------------------------------------------------...

2,012,753

7.962

0.003

8.249

0.004

18.931

0.009

90

null

90

null

90

null

1,243.4

1

293

2

293

2

null

3

P 21 21 21

P 2ac 2ab

19

FV-LAMAL

2-[(3-Furyl)(hydroxy)methyl]-2,3-dimethylcyclohexanone

- C13 H18 O3 -

- C52 H72 O12 -

4

1

FR1367

Esther García G.; Mendoza G., Virgilio; Guzmán-B., José Agustín; Graniel, Luis Angel Maldonado; Hernández-Ortega, Simón

2-[3-Furyl(hydroxy)methyl]-2,3-dimethylcyclohexanone

Acta Crystallographica Section C

2,002

58

6

o336

o338

10.1107/S0108270102007527

0.71073

MoKα

0.0845

0.0524

null

0.0891

0.0983

null

0.988

null

has coordinates

Esther García G.; Mendoza G., Virgilio; Guzmán-B., José Agustín; Graniel, Luis Angel Maldonado; Hernández-Ortega, Simón 2-[3-Furyl(hydroxy)methyl]-2,3-dimethylcyclohexanone Acta Crystallographica Section C 58(6) (2002) o336-o338

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/27/2012753.cif $ #-------------------------------------------------------------------...

2,012,754

12.832

0.004

7.961

0.003

11.809

0.004

90

null

99.79

0.02

90

null

1,188.8

0.7

296

2

296

2

null

3

P 1 21/c 1

-P 2ybc

14

(±)-12-Oxotricyclo[6.2.2.0^1,6^]dodecane-10-carboxylic acid

- C13 H18 O3 -

- C52 H72 O12 -

4

1

FR1370

Papadakis, Markos M.; Martins, Sonia P.; Thompson, Hugh W.; Lalancette, Roger A.

(±)-12-Oxotricyclo[6.2.2.0^1,6^]dodecane-10-carboxylic acid: hydrogen bonding in a tricyclic δ-keto acid

Acta Crystallographica Section C

2,002

58

6

o321

o322

10.1107/S0108270102006893

0.71073

MoKα

0.065

0.044

null

0.103

0.114

null

1.04

null

has coordinates,has Fobs

Papadakis, Markos M.; Martins, Sonia P.; Thompson, Hugh W.; Lalancette, Roger A. (±)-12-Oxotricyclo[6.2.2.0^1,6^]dodecane-10-carboxylic acid: hydrogen bonding in a tricyclic δ-keto acid Acta Crystallographica Section C 58(6) (2002) o321-o322

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/27/2012754.cif $ #-------------------------------------------------------------------...

2,012,755

9.346

0.002

11.413

0.002

19.493

0.004

90

null

90

null

90

null

2,079.2

0.7

100

2

100

2

null

4

P 21 21 21

P 2ac 2ab

19

N-t-butoxycarbonyl-N-methyl-(O-benzyl)-L-tyrosine

- C22 H27 N O5 -

- C88 H108 N4 O20 -

4

1

GD1196

Jankowska, Elżbieta; Gilski, Mirosław; Jaskólski, Mariusz; Grzonka, Zbigniew; Łankiewicz, Leszek

O-Benzyl-N-tert-butoxycarbonyl-N-methyl-L-tyrosine

Acta Crystallographica Section C

2,002

58

6

o353

o354

10.1107/S0108270102007114

0.71073

MoKα

0.0613

0.0479

null

0.105

0.1118

null

1.341

null

has coordinates

Jankowska, Elżbieta; Gilski, Mirosław; Jaskólski, Mariusz; Grzonka, Zbigniew; Łankiewicz, Leszek O-Benzyl-N-tert-butoxycarbonyl-N-methyl-L-tyrosine Acta Crystallographica Section C 58(6) (2002) o353-o354

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/27/2012755.cif $ #-------------------------------------------------------------------...

2,012,756

10.2643

0.0003

13.4878

0.0004

21.1227

0.0008

86.2858

0.001

77.9955

0.0013

73.932

0.003

2,748.51

0.16

110

2

110

2

null

5

P 1

1

- C120 H140 N4 O32 Zn -

1

GD1198

Yael Diskin-Posner; Goutam Kumar Patra; Israel Goldberg

Hydrogen-bonded supramolecular lattice of the 1:3:4 complex between [5,10,15,20-meso-tetrakis(4-hydroxyphenyl)porphyrinato-κ^4^N]zinc(II), dibenzo-24-crown-8 and methanol

Acta Crystallographica Section C

2,002

58

6

m344

m346

10.1107/S010827010200776X

0.7107

MoKα

0.0878

0.0698

null

0.1547

0.1673

null

1.052

null

has coordinates,has disorder,has Fobs

Yael Diskin-Posner; Goutam Kumar Patra; Israel Goldberg Hydrogen-bonded supramolecular lattice of the 1:3:4 complex between [5,10,15,20-meso-tetrakis(4-hydroxyphenyl)porphyrinato-κ^4^N]zinc(II), dibenzo-24-crown-8 and methanol Acta Crystallographica Section C 58(6) (2002) m344-m346

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/27/2012756.cif $ #-------------------------------------------------------------------...

2,012,757

6.568

0.001

13.282

0.003

20.801

0.005

90

null

90

null

90

null

1,814.6

0.7

289

2

289

2

null

3

P 21 21 21

P 2ac 2ab

19

Kamebanin

rel-(-)-(1R,4R,8S,9R,10S,13S,16R)-2,8,16-trihydroxy-5,5,9-trimethyl-14- methylenetetracyclo[11.2.1.0^1,10^.0^4,9^]hexadecan-15-one

- C20 H30 O4 -

- C80 H120 O16 -

4

1

GD1200

Pan, Yuan Jiang; Shi, Hao

The natural diterpenoid kamebanin

Acta Crystallographica Section C

2,002

58

6

o323

o324

10.1107/S0108270102007175

0.71073

MoKα

0.0736

0.0447

null

0.0945

0.1048

null

0.927

null

has coordinates,has Fobs

Pan, Yuan Jiang; Shi, Hao The natural diterpenoid kamebanin Acta Crystallographica Section C 58(6) (2002) o323-o324

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/27/2012757.cif $ #-------------------------------------------------------------------...

2,012,758

7.476

0.001

8.923

0.001

10.155

0.001

76.68

0.01

89.08

0.01

80.66

0.01

650.3

0.13

293

2

293

2

null

4

P -1

-P 1

2

pyrazolo[3,4-d]pyrimidine

5-benzyl-1,7-dimethyl-4,6-dioxo-4,5,6,7-tetrahydropyrazolo[3,4-d]pyrimidine

- C14 H14 N4 O2 -

- C28 H28 N8 O4 -

2

1

GD1201

Avasthi, Kamlakar; Rawat, Diwan S.; Chandra, Tilak; Sharon, Ashoke; Maulik, Prakas R.

Isomeric pyrazolo[3,4-d]pyrimidine-based molecules: disappearance of dimerization due to interchanged substitutions

Acta Crystallographica Section C

2,002

58

6

o311

o313

10.1107/S0108270102006315

0.71073

MoKα

0.054

0.0463

null

0.1274

0.1343

null

1.048

null

has coordinates

Avasthi, Kamlakar; Rawat, Diwan S.; Chandra, Tilak; Sharon, Ashoke; Maulik, Prakas R. Isomeric pyrazolo[3,4-d]pyrimidine-based molecules: disappearance of dimerization due to interchanged substitutions Acta Crystallographica Section C 58(6) (2002) o311-o313

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/27/2012758.cif $ #-------------------------------------------------------------------...

2,012,759

12.468

0.001

7.449

0.001

15.076

0.002

90

null

108.94

0.01

90

null

1,324.4

0.3

293

2

293

2

null

4

P 1 21/n 1

-P 2yn

14

pyrazolo[3,4-d]pyrimidine

1-benzyl-5,7-dimethyl-4-dioxo-4,5,6,7-tetrahydropyrazolo[3,4-d]pyrimidine

- C14 H14 N4 O2 -

- C56 H56 N16 O8 -

4

1

GD1201

Avasthi, Kamlakar; Rawat, Diwan S.; Chandra, Tilak; Sharon, Ashoke; Maulik, Prakas R.

Isomeric pyrazolo[3,4-d]pyrimidine-based molecules: disappearance of dimerization due to interchanged substitutions

Acta Crystallographica Section C

2,002

58

6

o311

o313

10.1107/S0108270102006315

0.71073

MoKα

0.1301

0.0593

null

0.1301

0.1588

null

1.012

null

has coordinates

Avasthi, Kamlakar; Rawat, Diwan S.; Chandra, Tilak; Sharon, Ashoke; Maulik, Prakas R. Isomeric pyrazolo[3,4-d]pyrimidine-based molecules: disappearance of dimerization due to interchanged substitutions Acta Crystallographica Section C 58(6) (2002) o311-o313

301,798

2025-08-19

6:41:50

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/27/2012759.cif $ #-------------------------------------------------------------------...