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

2,013,060

10.2994

0.0014

11.1508

0.0016

13.8197

0.0019

68.023

0.016

68.73

0.015

80.092

0.017

1,370.3

0.4

200

2

null

6

P -1

-P 1

2

Bis(tetraphenylphosphonium) bis(cis-1,2-dimethoxycarbonylethylenedithiolato-κ^2^S,S')nickelate(II)

- C60 H52 Ni O8 P2 S4 -

1

0.5

DN1015

Baudron, Stephane A.; Batail, Patrick

Bis(tetraphenylphosphonium) bis[cis-1,2-bis(methoxycarbonyl)ethylenedithiolato-κ^2^S,S']nickelate(II) and bis(tetraphenylphosphonium) bis[cis-1,2-bis(methoxycarbonyl)ethylenedithiolato-κ^2^S,S']nickelate(III) iodide

Acta Crystallographica Section C

2,002

58

12

m575

m577

10.1107/S0108270102019212

0.71073

MoKα

null

0.029

null

0.071

null

0.927

null

has coordinates,has Fobs

Baudron, Stephane A.; Batail, Patrick Bis(tetraphenylphosphonium) bis[cis-1,2-bis(methoxycarbonyl)ethylenedithiolato-κ^2^S,S']nickelate(II) and bis(tetraphenylphosphonium) bis[cis-1,2-bis(methoxycarbonyl)ethylenedithiolato-κ^2^S,S']nickelate(III) iodide Acta Crystallographica S...

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/2/01/30/2013060.cif $ #-------------------------------------------------------------------...

2,013,061

9.4071

0.0003

10.2501

0.0006

15.4642

0.0007

85.671

0.004

77.541

0.004

80.24

0.004

1,433.75

0.12

293

2

null

7

P -1

-P 1

2

Bis(tetraphenylphosphonium) bis(cis-1,2-dimethoxycarbonylethylenedithiolato-κ^2^S,S')nickelate(III) iodide

- C60 H52 I Ni O8 P2 S4 -

1

0.5

DN1015

Baudron, Stephane A.; Batail, Patrick

Bis(tetraphenylphosphonium) bis[cis-1,2-bis(methoxycarbonyl)ethylenedithiolato-κ^2^S,S']nickelate(II) and bis(tetraphenylphosphonium) bis[cis-1,2-bis(methoxycarbonyl)ethylenedithiolato-κ^2^S,S']nickelate(III) iodide

Acta Crystallographica Section C

2,002

58

12

m575

m577

10.1107/S0108270102019212

0.71073

Mokα

null

0.032

null

0.097

null

1.035

null

has coordinates,has Fobs

Baudron, Stephane A.; Batail, Patrick Bis(tetraphenylphosphonium) bis[cis-1,2-bis(methoxycarbonyl)ethylenedithiolato-κ^2^S,S']nickelate(II) and bis(tetraphenylphosphonium) bis[cis-1,2-bis(methoxycarbonyl)ethylenedithiolato-κ^2^S,S']nickelate(III) iodide Acta Crystallographica S...

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/2/01/30/2013061.cif $ #-------------------------------------------------------------------...

2,013,062

21.7323

0.0015

7.8564

0.0005

26.0263

0.0018

90

null

90.605

0.001

90

null

4,443.4

0.5

213

2

213

2

null

6

P 1 21/c 1

-P 2ybc

14

Copper(II) Lariat-PreH

- C34 H52 Cl2 Cu2 N10 O14 -

- C136 H208 Cl8 Cu8 N40 O56 -

4

1

FG1662

Salma Kiani; Richard J. Staples; .; Alan B. Packard; .

A lariat-functionalized copper(II) diimine‒dioxime complex

Acta Crystallographica Section C

2,002

58

12

m593

m595

10.1107/S0108270102019911

0.71073

MoKα

0.0783

0.0452

null

0.1201

0.1374

null

1.052

null

has coordinates,has Fobs

Salma Kiani; Richard J. Staples; .; Alan B. Packard; . A lariat-functionalized copper(II) diimine‒dioxime complex Acta Crystallographica Section C 58(12) (2002) m593-m595

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/2/01/30/2013062.cif $ #-------------------------------------------------------------------...

2,013,063

11.588

0.001

11.588

0.001

17.177

0.002

90

null

90

null

120

null

1,997.5

0.3

293

2

293

2

null

7

P -3 c 1

-P 3 2"c

165

catena-Poly[tris(ethylenediamine-κ^2^N)nickel(II) [[trithiocyanato-κ^3^N-sodium(I)]-μ-aqua-κ^2^O:O]]

- C9 H26 N9 Na Ni O S3 -

- C36 H104 N36 Na4 Ni4 O4 S12 -

4

0.333333

FG1666

Shen, Liang; Jing, Zhi Min

catena-Poly[tris(ethylenediamine-κ^2^N,N')nickel(II) [[trithiocyanato-κ^3^N-sodium(I)]-μ-aqua-κ^2^O:O]]

Acta Crystallographica Section C

2,002

58

12

m591

m592

10.1107/S0108270102019509

0.71073

MoKα

0.055

0.038

null

0.123

0.13

null

1.02

null

has coordinates,has Fobs

Shen, Liang; Jing, Zhi Min catena-Poly[tris(ethylenediamine-κ^2^N,N')nickel(II) [[trithiocyanato-κ^3^N-sodium(I)]-μ-aqua-κ^2^O:O]] Acta Crystallographica Section C 58(12) (2002) m591-m592

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$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/2/01/30/2013063.cif $ #-------------------------------------------------------------------...

2,013,064

7.118

0.001

9.328

0.001

9.483

0.001

111

0.01

106.8

0.01

103.85

0.01

519.65

0.14

296

2

296

2

null

6

P -1

-P 1

2

[2,2'-(1,3,5,8,10,12-hexaazacyclotetradecane-3,10-diyl)diethanol- κ^4^N^1^,N^5^,N^8^,N^12^]bis(thiocyanato-κS)copper(II)

- C14 H30 Cu N8 O2 S2 -

1

0.5

FG1669

Shen, Liang

[2,2'-(1,3,5,8,10,12-Hexaazacyclotetradecane-3,10-diyl)diethanol-κ^4^N^1^,N^5^,N^8^,N^12^]bis(thiocyanato-κS)copper(II)

Acta Crystallographica Section C

2,002

58

12

m588

m590

10.1107/S0108270102019728

0.71073

MoKα

0.036

0.034

null

0.087

0.089

null

1.076

null

has coordinates,has Fobs

Shen, Liang [2,2'-(1,3,5,8,10,12-Hexaazacyclotetradecane-3,10-diyl)diethanol-κ^4^N^1^,N^5^,N^8^,N^12^]bis(thiocyanato-κS)copper(II) Acta Crystallographica Section C 58(12) (2002) m588-m590

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$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/2/01/30/2013064.cif $ #-------------------------------------------------------------------...

2,013,065

9.845

0.005

6.77

0.005

13.994

0.008

90

null

101.12

0.03

90

null

915.2

1

296

2

296

2

null

3

P 1 21/c 1

-P 2ybc

14

trans-4-acetylcyclohexanecarboxylic acid

- C9 H14 O3 -

- C36 H56 O12 -

4

1

FR1396

Newman, Jacob M.; Thompson, Hugh W.; Lalancette, Roger A.

trans-4-Acetylcyclohexanecarboxylic acid and (±)-trans-2-acetylcyclohexanecarboxylic acid: hydrogen-bonding patterns in two isomeric keto acids

Acta Crystallographica Section C

2,002

58

12

o693

o696

10.1107/S0108270102018553

0.71073

MoKα

0.1

0.059

null

0.139

0.166

null

1.04

null

has coordinates,has Fobs

Newman, Jacob M.; Thompson, Hugh W.; Lalancette, Roger A. trans-4-Acetylcyclohexanecarboxylic acid and (±)-trans-2-acetylcyclohexanecarboxylic acid: hydrogen-bonding patterns in two isomeric keto acids Acta Crystallographica Section C 58(12) (2002) o693-o696

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$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/2/01/30/2013065.cif $ #-------------------------------------------------------------------...

2,013,066

6.943

0.002

10.489

0.003

12.778

0.004

90

null

101.47

0.02

90

null

912

0.5

296

2

296

2

null

3

P 1 21/c 1

-P 2ybc

14

trans-2-acetylcyclohexanecarboxylic acid

- C9 H14 O3 -

- C36 H56 O12 -

4

1

FR1396

Newman, Jacob M.; Thompson, Hugh W.; Lalancette, Roger A.

trans-4-Acetylcyclohexanecarboxylic acid and (±)-trans-2-acetylcyclohexanecarboxylic acid: hydrogen-bonding patterns in two isomeric keto acids

Acta Crystallographica Section C

2,002

58

12

o693

o696

10.1107/S0108270102018553

0.71073

MoKα

0.107

0.052

null

0.088

0.104

null

0.99

null

has coordinates,has Fobs

Newman, Jacob M.; Thompson, Hugh W.; Lalancette, Roger A. trans-4-Acetylcyclohexanecarboxylic acid and (±)-trans-2-acetylcyclohexanecarboxylic acid: hydrogen-bonding patterns in two isomeric keto acids Acta Crystallographica Section C 58(12) (2002) o693-o696

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/2/01/30/2013066.cif $ #-------------------------------------------------------------------...

2,013,067

10.473

0.002

14.961

0.003

8.569

0.002

90

null

94.028

0.01

90

null

1,339.3

0.5

294

1

293

2

null

5

P 1 21/c 1

-P 2ybc

14

- C24 H24 N10 Ni O6 -

- C48 H48 N20 Ni2 O12 -

2

0.5

FR1398

Hörner, Manfredo; Oliveira, Julieta Saldanha de; Bordinhao, Jairo; Beck, Johannes

trans-Bis[1-methyl-3-(p-nitrophenyl)triazenido 1-oxide-κ^2^N^3^,O]dipyridinenickel(II)

Acta Crystallographica Section C

2,002

58

12

m586

m587

10.1107/S0108270102019820

0.71073

MoKα

0.0465

0.0311

null

0.0699

0.0763

null

1.033

null

has coordinates,has Fobs

Hörner, Manfredo; Oliveira, Julieta Saldanha de; Bordinhao, Jairo; Beck, Johannes trans-Bis[1-methyl-3-(p-nitrophenyl)triazenido 1-oxide-κ^2^N^3^,O]dipyridinenickel(II) Acta Crystallographica Section C 58(12) (2002) m586-m587

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/2/01/30/2013067.cif $ #-------------------------------------------------------------------...

2,013,068

7.4046

0.001

14.796

0.0013

7.7788

0.0011

90

null

99.727

0.012

90

null

839.98

0.18

298

2

298

2

null

4

P 1 21/c 1

-P 2ybc

14

- C4 H12 Fe O8 -

- C16 H48 Fe4 O32 -

4

1

FR1400

Tu-Gen Xu; Duan-Jun Xu; Jing-Yun Wu; Michael Y. Chiang

catena-Poly[[tetraaquairon(II)]-μ-succinato-κ^2^O:O']

Acta Crystallographica Section C

2,002

58

12

m615

m616

10.1107/S0108270102020693

0.71069

MoKα

0.03

0.027

null

0.074

0.076

null

1.038

null

has coordinates,has Fobs

Tu-Gen Xu; Duan-Jun Xu; Jing-Yun Wu; Michael Y. Chiang catena-Poly[[tetraaquairon(II)]-μ-succinato-κ^2^O:O'] Acta Crystallographica Section C 58(12) (2002) m615-m616

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/2/01/30/2013068.cif $ #-------------------------------------------------------------------...

2,013,069

11.127

0.0008

15.622

0.001

12.47

0.001

90

null

106.28

0.01

90

null

2,080.7

0.3

198

2

198

2

null

7

P 1 21/c 1

-P 2ybc

14

[5-Benzyl-3-phenyl-2-(2-pyridyl-κN)thiazolidin-4-one-κS]dichloropalladium(II)

- C21 H18 Cl2 N2 O Pd S -

- C84 H72 Cl8 N8 O4 Pd4 S4 -

4

1

GA1000

Mills, Allison M.; Lutz, Martin; Strijdonck, Gino P. F. van; Kamer, Paul C. J.; Leeuwen, Piet W. N. M. van; Spek, Anthony L.

[5-Benzyl-3-phenyl-2-(2-pyridyl-κN)thiazolidin-4-one-κS]dichloropalladium(II)

Acta Crystallographica Section C

2,002

58

12

m583

m585

10.1107/S0108270102019224

0.71073

MoKα

0.069

0.039

null

0.067

0.075

null

0.995

null

has coordinates,has Fobs

Mills, Allison M.; Lutz, Martin; Strijdonck, Gino P. F. van; Kamer, Paul C. J.; Leeuwen, Piet W. N. M. van; Spek, Anthony L. [5-Benzyl-3-phenyl-2-(2-pyridyl-κN)thiazolidin-4-one-κS]dichloropalladium(II) Acta Crystallographica Section C 58(12) (2002) m583-m585

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/2/01/30/2013069.cif $ #-------------------------------------------------------------------...

2,013,070

10.2785

0.0002

12.6674

0.0003

16.2495

0.0005

71.693

0.002

89.362

0.002

76.317

0.002

1,947.05

0.09

180

2

180

2

null

5

P -1

-P 1

2

CUmof-2

catena-Poly[[[bis[diaqua(4,4'-bipyridine)cadmium(II)]-bis[μ-(N''- carboxymethyldiethylenetriamine-N,N,N',N''-tetraacetato)cadmium(II)]]- μ-4,4'-bipyridine] tetradecahydrate]

- C58 H98 Cd4 N12 O38 -

1

0.5

GD1231

Almeida Paz, Filipe A.; Bond, Andrew D.; Khimyak, Yaroslav Z.; Klinowski, Jacek

A novel one-dimensional coordination polymer with Cd^2+^ and diethylenetriaminepentaacetic acid

Acta Crystallographica Section C

2,002

58

12

m608

m610

10.1107/S0108270102019960

0.7107

MoKα

0.032

0.027

null

0.07

0.072

null

1.057

null

has coordinates,has disorder,has Fobs

Almeida Paz, Filipe A.; Bond, Andrew D.; Khimyak, Yaroslav Z.; Klinowski, Jacek A novel one-dimensional coordination polymer with Cd^2+^ and diethylenetriaminepentaacetic acid Acta Crystallographica Section C 58(12) (2002) m608-m610

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/2/01/30/2013070.cif $ #-------------------------------------------------------------------...

2,013,071

24.862

0.004

7.3778

0.0014

19.633

0.004

90

null

101.823

0.006

90

null

3,524.8

1.1

293

2

293

2

null

4

I 1 2/a 1

-I 2ya

15

2,4-diamino-5-naphthalen-1-yl-3,5-diaza-1-azoniaspiro[5.5]undeca-1,3-diene Cl

2,4-Diamino-5-(1-naphthyl)-3,5-diaza-1-azoniaspiro[5.5]undeca-1,3-diene chloride

- C18 H22 Cl N5 -

- C144 H176 Cl8 N40 -

8

1

GG1139

Papandreou, Nikolaos C.; Makedonopoulou, Stella; Antoniadou-Vyza, Ekaterini A.; Mavridis, Irene M.; Hamodrakas, Stavros J.

2,4-Diamino-5-(1-naphthyl)-3,5-diaza-1-azoniaspiro[5.5]undeca-1,3-diene chloride

Acta Crystallographica Section C

2,002

58

12

o730

o732

10.1107/S0108270102019108

1.5418

CuKα

0.063

0.052

null

0.143

0.155

null

1.025

null

has coordinates,has Fobs

Papandreou, Nikolaos C.; Makedonopoulou, Stella; Antoniadou-Vyza, Ekaterini A.; Mavridis, Irene M.; Hamodrakas, Stavros J. 2,4-Diamino-5-(1-naphthyl)-3,5-diaza-1-azoniaspiro[5.5]undeca-1,3-diene chloride Acta Crystallographica Section C 58(12) (2002) o730-o732

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$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/2/01/30/2013071.cif $ #-------------------------------------------------------------------...

2,013,072

12.271

0.002

5.324

0.002

15.15

0.001

90

null

97.85

0.01

90

null

980.5

0.4

296.2

null

5

P 1 21/n 1

-P 2yn

14

trans-Bisaquabis(isoquinoline-1-carboxylato-N,O)cobalt(II) dihydrate

- C20 H20 Co N2 O8 -

- C40 H40 Co2 N4 O16 -

2

0.5

GG1140

Okabe, Nobuo; Muranishi, Yasunori

Cobalt(II) and nickel(II) complexes of isoquinoline-1-carboxylate

Acta Crystallographica Section C

2,002

58

12

m578

m580

10.1107/S0108270102018942

0.71073

MoKα

null

0.031

null

0.116

null

0.836

null

has coordinates,has Fobs

Okabe, Nobuo; Muranishi, Yasunori Cobalt(II) and nickel(II) complexes of isoquinoline-1-carboxylate Acta Crystallographica Section C 58(12) (2002) m578-m580

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$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/2/01/30/2013072.cif $ #-------------------------------------------------------------------...

2,013,073

12.171

0.002

5.351

0.004

15.107

0.002

90

null

97.91

0.01

90

null

974.5

0.8

296.2

null

5

P 1 21/n 1

-P 2yn

14

trans-Bisaquabis(isoquinoline-1-carboxylato-N,O)nickel(II) dihydrate

- C20 H20 N2 Ni O8 -

- C40 H40 N4 Ni2 O16 -

2

0.5

GG1140

Okabe, Nobuo; Muranishi, Yasunori

Cobalt(II) and nickel(II) complexes of isoquinoline-1-carboxylate

Acta Crystallographica Section C

2,002

58

12

m578

m580

10.1107/S0108270102018942

0.71073

MoKα

null

0.04

null

0.143

null

0.992

null

has coordinates,has Fobs

Okabe, Nobuo; Muranishi, Yasunori Cobalt(II) and nickel(II) complexes of isoquinoline-1-carboxylate Acta Crystallographica Section C 58(12) (2002) m578-m580

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$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/2/01/30/2013073.cif $ #-------------------------------------------------------------------...

2,013,074

11.5759

0.0005

9.3063

0.0004

11.5275

0.0004

90

null

118.896

0.002

90

null

1,087.23

0.08

150

2

150

2

null

5

P 1 21/c 1

-P 2ybc

14

2-(pyrrolidin-1-yl)-1,4-naphthoquinone

- C14 H12.95 Cl0.05 N O2 -

- C56 H51.8 Cl0.2 N4 O8 -

4

1

GG1143

Lynch, Daniel E.; Ian McClenaghan

2-(Pyrrolidin-1-yl)-1,4-naphthoquinone and 2-phenylsulfanyl-3-(pyrrolidin-1-yl)-1,4-naphthoquinone

Acta Crystallographica Section C

2,002

58

12

o704

o707

10.1107/S0108270102019194

0.71073

MoKα

0.0814

0.0472

null

0.11

0.123

null

1.011

null

has coordinates,has Fobs

Lynch, Daniel E.; Ian McClenaghan 2-(Pyrrolidin-1-yl)-1,4-naphthoquinone and 2-phenylsulfanyl-3-(pyrrolidin-1-yl)-1,4-naphthoquinone Acta Crystallographica Section C 58(12) (2002) o704-o707

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/2/01/30/2013074.cif $ #-------------------------------------------------------------------...

2,013,075

13.205

0.003

11.387

0.002

11.22

0.002

90

null

93.12

0.03

90

null

1,684.6

0.6

150

2

150

2

null

5

P 1 21/c 1

-P 2ybc

14

2-(phenylthio)-3-(pyrrolidin-1-yl)-1,4-naphthoquinone

- C20 H17 N O2 S -

- C80 H68 N4 O8 S4 -

4

1

GG1143

Lynch, Daniel E.; Ian McClenaghan

2-(Pyrrolidin-1-yl)-1,4-naphthoquinone and 2-phenylsulfanyl-3-(pyrrolidin-1-yl)-1,4-naphthoquinone

Acta Crystallographica Section C

2,002

58

12

o704

o707

10.1107/S0108270102019194

0.71073

MoKα

0.11

0.0482

null

0.1035

0.126

null

0.951

null

has coordinates,has Fobs

Lynch, Daniel E.; Ian McClenaghan 2-(Pyrrolidin-1-yl)-1,4-naphthoquinone and 2-phenylsulfanyl-3-(pyrrolidin-1-yl)-1,4-naphthoquinone Acta Crystallographica Section C 58(12) (2002) o704-o707

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$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/2/01/30/2013075.cif $ #-------------------------------------------------------------------...

2,013,076

6.6664

0.0019

6.6765

0.0019

15.5711

0.0018

84.075

0.004

82.803

0.005

85.776

0.005

682.6

0.3

193

2

193

2

null

6

P -1

-P 1

2

Isozoledronate monosodium

Monosodium [1-hydroxy-2-(1H-imidazol-3-ium-4-yl)ethane-1,1-diyl]bis(phosphonate) tetrahydrate

- C5 H17 N2 Na O11 P2 -

- C10 H34 N4 Na2 O22 P4 -

2

1

GG1144

Gossman, William L.; Wilson, Scott R.; Oldfield, Eric

Monosodium [1-hydroxy-2-(1H-imidazol-3-ium-4-yl)ethane-1,1-diyl]bis(phosphonate) tetrahydrate (monosodium isozoledronate)

Acta Crystallographica Section C

2,002

58

12

m599

m600

10.1107/S0108270102019522

0.71073

MoKα

0.038

0.029

null

0.074

0.077

null

1.036

null

has coordinates,has Fobs

Gossman, William L.; Wilson, Scott R.; Oldfield, Eric Monosodium [1-hydroxy-2-(1H-imidazol-3-ium-4-yl)ethane-1,1-diyl]bis(phosphonate) tetrahydrate (monosodium isozoledronate) Acta Crystallographica Section C 58(12) (2002) m599-m600

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/2/01/30/2013076.cif $ #-------------------------------------------------------------------...

2,013,077

9.0398

0.0002

16.6679

0.0004

9.0973

0.0002

90

null

98.19

0.001

90

null

1,356.75

0.05

293

2

293

2

null

6

P 1 21/n 1

-P 2yn

14

caesium silver zinc tetrathioyanate

- C4 Ag Cs N4 S4 Zn -

- C16 Ag4 Cs4 N16 S16 Zn4 -

4

1

IZ1027

Güneş, Minna; Valkonen, Jussi

Polymorphism in Cs[AgZn(NCS)~4~]

Acta Crystallographica Section C

2,002

58

12

i161

i163

10.1107/S0108270102017961

0.71073

MoKα

null

0.041

null

0.101

null

1.043

null

has coordinates,has Fobs

Güneş, Minna; Valkonen, Jussi Polymorphism in Cs[AgZn(NCS)~4~] Acta Crystallographica Section C 58(12) (2002) i161-i163

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/2/01/30/2013077.cif $ #-------------------------------------------------------------------...

2,013,078

13.964

0.002

14.851

0.002

13.389

0.002

90

null

113.35

0.01

90

null

2,549.2

0.7

293

2

293

2

null

6

C 1 2/c 1

-C 2yc

15

caesium silver zinc tetrathioyanate

- C4 Ag Cs N4 S4 Zn -

- C32 Ag8 Cs8 N32 S32 Zn8 -

8

1

IZ1027

Güneş, Minna; Valkonen, Jussi

Polymorphism in Cs[AgZn(NCS)~4~]

Acta Crystallographica Section C

2,002

58

12

i161

i163

10.1107/S0108270102017961

0.71073

MoKα

null

0.0599

null

0.1191

null

0.939

null

has coordinates,has Fobs

Güneş, Minna; Valkonen, Jussi Polymorphism in Cs[AgZn(NCS)~4~] Acta Crystallographica Section C 58(12) (2002) i161-i163

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/2/01/30/2013078.cif $ #-------------------------------------------------------------------...

2,013,079

14.462

0.002

14.462

0.002

13.902

0.003

90

null

90

null

120

null

2,518.1

0.7

293

2

293

2

null

6

P -3

-P 3

147

trans-Carbonyliodotris(triphenylstibine-κSb)rhodium(I)

- C55 H45 I O Rh Sb3 -

- C110 H90 I2 O2 Rh2 Sb6 -

2

0.333333

JZ1526

Otto, Stefanus; Roodt, Andreas

trans-Carbonyliodotris(triphenylstibine-κSb)rhodium(I)

Acta Crystallographica Section C

2,002

58

12

m565

m566

10.1107/S0108270102018747

0.71073

MoKα

0.112

0.031

null

0.047

0.056

null

0.864

null

has coordinates,has Fobs

Otto, Stefanus; Roodt, Andreas trans-Carbonyliodotris(triphenylstibine-κSb)rhodium(I) Acta Crystallographica Section C 58(12) (2002) m565-m566

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/2/01/30/2013079.cif $ #-------------------------------------------------------------------...

2,013,080

14.142

0.006

17.287

0.003

21.505

0.004

90

null

90

null

90

null

5,257

3

293

2

293

2

null

3

P 21 21 21

P 2ac 2ab

19

Azadirachtol

Dimethyl (-)-(2aR,3R,4R,4aS,5R,7aS,8R,10S,10aR)- 3,8,10-trihydroxy-4-[(2R,6R)-2-hydroxy-11-methyl- 5,7,10-trioxatetracyclo[6.3.1.0^2,6^0^9,11^]dodeca-3-en-9-yl]- 4-methylperhydroisobenzofurano[5,4,3a-cd]isobenzofuran-5,10a-diacetate

- C28 H36 O13 -

- C224 H288 O104 -

8

2

LN1147

Malathi, R.; Rajan, S. S.; Geetha Gopalakrishnan; Suresh, G.

Azadirachtol, a tetranortriterpenoid from neem kernels

Acta Crystallographica Section C

2,002

58

12

o708

o710

10.1107/S0108270102019091

1.54178

CuKα

0.15

0.06

null

0.135

0.173

null

1.035

null

has coordinates,has Fobs

Malathi, R.; Rajan, S. S.; Geetha Gopalakrishnan; Suresh, G. Azadirachtol, a tetranortriterpenoid from neem kernels Acta Crystallographica Section C 58(12) (2002) o708-o710

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$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/2/01/30/2013080.cif $ #-------------------------------------------------------------------...

2,013,081

11.316

0.0013

6.744

0.002

18.4091

0.0015

90

null

102.887

0.008

90

null

1,369.5

0.5

293

2

293

2

null

4

P 1 21/c 1

-P 2ybc

14

Ethyl 3,5-dimethyl-4-phenyl-1H-pyrrole-2-carboxylate

- C15 H17 N O2 -

- C60 H68 N4 O8 -

4

1

LN1155

Paixão, José António; Ramos Silva, Manuela; Matos Beja, Ana; Sobral, Abílio J. F. N.; Lopes, Susana H.; Rocha Gonsalves, A. M. d'A.

Ethyl 3,5-dimethyl-4-phenyl-1H-pyrrole-2-carboxylate

Acta Crystallographica Section C

2,002

58

12

o721

o723

10.1107/S0108270102020656

1.5418

CuKα

0.062

0.054

null

0.158

0.169

null

1.074

null

has coordinates,has Fobs

Paixão, José António; Ramos Silva, Manuela; Matos Beja, Ana; Sobral, Abílio J. F. N.; Lopes, Susana H.; Rocha Gonsalves, A. M. d'A. Ethyl 3,5-dimethyl-4-phenyl-1H-pyrrole-2-carboxylate Acta Crystallographica Section C 58(12) (2002) o721-o723

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$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/2/01/30/2013081.cif $ #-------------------------------------------------------------------...

2,013,082

12.9955

0.0009

7.7137

0.0005

13.4699

0.0011

90

null

107.86

0.006

90

null

1,285.2

0.17

293

2

293

2

null

4

P 1 21/c 1

-P 2ybc

14

imidazolidinedione

5-(1-Acetamidobenzyl)-5-methylazolidin-2,4-dione

- C13 H15 N3 O3 -

- C52 H60 N12 O12 -

4

1

NA1581

SethuSankar, K.; Thennarasu, S.; Velmurugan, D.; Moon Jib-Kim

5-[Acetamido(phenyl)methyl]-5-methylimidazolidine-2,4-dione

Acta Crystallographica Section C

2,002

58

12

o715

o717

10.1107/S0108270102019339

0.71073

MoKα

0.0716

0.0422

null

0.1231

0.1391

null

0.974

null

has coordinates,has Fobs

SethuSankar, K.; Thennarasu, S.; Velmurugan, D.; Moon Jib-Kim 5-[Acetamido(phenyl)methyl]-5-methylimidazolidine-2,4-dione Acta Crystallographica Section C 58(12) (2002) o715-o717

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$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/2/01/30/2013082.cif $ #-------------------------------------------------------------------...

2,013,083

6.1726

0.0001

14.9068

0.0002

17.6465

0.0003

90

null

97.724

0.001

90

null

1,608.99

0.04

160

2

160

2

null

4

P 1 21 1

P 2yb

4

synthetic steroid

16-[3-Methoxy-4-(2-piperidin-1-ylethoxy)benzylidene]-17-oxoandrost-5-en-3β-yl acetate monohydrate

- C36 H51 N O6 -

- C72 H102 N2 O12 -

2

1

NA1582

Thamotharan, S.; Parthasarathi, V.; Ranju Gupta; Sheetal Guleria; Jindal, D. P.; Linden, Anthony

16-[3-Methoxy-4-(2-piperidin-1-ylethoxy)benzylidene]-17-oxoandrost-5-en-3β-yl acetate monohydrate

Acta Crystallographica Section C

2,002

58

12

o727

o729

10.1107/S010827010202005X

0.71073

MoKα

0.0627

0.0419

null

0.0958

0.1047

null

1.032

null

has coordinates,has Fobs

Thamotharan, S.; Parthasarathi, V.; Ranju Gupta; Sheetal Guleria; Jindal, D. P.; Linden, Anthony 16-[3-Methoxy-4-(2-piperidin-1-ylethoxy)benzylidene]-17-oxoandrost-5-en-3β-yl acetate monohydrate Acta Crystallographica Section C 58(12) (2002) o727-o729

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$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/2/01/30/2013083.cif $ #-------------------------------------------------------------------...

2,013,084

14.256

0.0003

16.6074

0.0003

14.6189

0.0003

90

null

92.789

0.001

90

null

3,457

0.12

150

2

150

2

null

5

P 1 21/n 1

-P 2yn

14

(acetonitrile-κN)dimethyl(1,4,7-trimethyl-1,4,7-triazacyclononane- κ^3^N)rhodium(III) tetraphenylborate

- C37 H50 B N4 Rh -

- C148 H200 B4 N16 Rh4 -

4

1

OB1087

Fooladi, Erik; Dalhus, Bjørn; Rømming, Christian; Tilset, Mats

An organometallic Rh^III^ complex with a distorted octahedral structure: (acetonitrile-κN)dimethyl(1,4,7-trimethyl-1,4,7-triazacyclononane-κ^3^N,N',N'')rhodium(III) tetraphenylborate

Acta Crystallographica Section C

2,002

58

12

m567

m569

10.1107/S0108270102019182

0.71073

MoKα

0.044

0.032

null

0.069

0.077

null

1.21

null

has coordinates,has Fobs

Fooladi, Erik; Dalhus, Bjørn; Rømming, Christian; Tilset, Mats An organometallic Rh^III^ complex with a distorted octahedral structure: (acetonitrile-κN)dimethyl(1,4,7-trimethyl-1,4,7-triazacyclononane-κ^3^N,N',N'')rhodium(III) tetraphenylborate Acta Crystallographica Section C 58(12) (2002)...

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/2/01/30/2013084.cif $ #-------------------------------------------------------------------...

2,013,085

8.029

0.002

13.4196

0.0016

15.3094

0.0016

90

null

90

null

90

null

1,649.5

0.5

293

2

293

2

null

5

P 21 21 21

P 2ac 2ab

19

(-)-Sparteinium monoperchlorate

(6R,7S,9S,11S)-Sparteinium monoperchlorate

- C15 H27 Cl N2 O4 -

- C60 H108 Cl4 N8 O16 -

4

1

OB1088

Lee, Yong-Min; Shim, Yoon-Bo; Lee, Seung Jae; Kang, Sung Kwon; Choi, Sung-Nak

Redetermination of (6R,7S,9S,11S)-(–)-sparteinium monoperchlorate

Acta Crystallographica Section C

2,002

58

12

o733

o734

10.1107/S0108270102020425

0.71073

MoKα

0.097

0.0515

null

0.1088

0.1283

null

1.018

null

has coordinates,has Fobs

Lee, Yong-Min; Shim, Yoon-Bo; Lee, Seung Jae; Kang, Sung Kwon; Choi, Sung-Nak Redetermination of (6R,7S,9S,11S)-(–)-sparteinium monoperchlorate Acta Crystallographica Section C 58(12) (2002) o733-o734

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$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/2/01/30/2013085.cif $ #-------------------------------------------------------------------...

2,013,086

12.4975

0.0013

7.7837

0.0008

13.132

0.0014

90

null

100.402

0.002

90

null

1,256.4

0.2

293

2

293

2

null

4

P 1 21/c 1

-P 2ybc

14

2-Hydroxy-3-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-5-ium-4-yl)benzoate monohydrate

- C13 H15 N3 O4 -

- C52 H60 N12 O16 -

4

1

OB1090

Anwar Usman; Chandini R. Nayar; P. A. Unnikrishnan; P. B. Sreeja; M. R. Prathapachandra Kurup; Hoong-Kun Fun

2-Hydroxy-3-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-5-ium-4-yl)benzoate monohydrate

Acta Crystallographica Section C

2,002

58

12

o724

o726

10.1107/S0108270102020371

0.71073

MoKα

0.0984

0.0614

null

0.1388

0.1568

null

1.056

null

has coordinates,has Fobs

Anwar Usman; Chandini R. Nayar; P. A. Unnikrishnan; P. B. Sreeja; M. R. Prathapachandra Kurup; Hoong-Kun Fun 2-Hydroxy-3-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-5-ium-4-yl)benzoate monohydrate Acta Crystallographica Section C 58(12) (2002) o724-o726

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$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/2/01/30/2013086.cif $ #-------------------------------------------------------------------...

2,013,087

7.0259

0.0001

12.2874

0.0002

13.0484

0.0003

80.316

0.001

79.508

0.001

74.462

0.001

1,058.64

0.03

293

2

293

2

null

6

P -1

-P 1

2

indole

Trimethyl[3-methyl-1-(o-tolenesulfonyl)indol-2-ylmethyl]ammonium iodide

- C20 H25 I N2 O2 S -

- C40 H50 I2 N4 O4 S2 -

2

1

SK1573

Seshadri, P. R.; Velmurugan, D.; Govindaraj, J.; Kannadasan, S.; Srinivasan, P. C.; Shanmuga Sundara Raj, S.; Fun, H.-K.; Kim, M. J.

Trimethyl[3-methyl-1-(o-tolenesulfonyl)indol-2-ylmethyl]ammonium iodide and benzyl[3-bromo-1-(phenylsulfonyl)indol-2-ylmethyl]tolylamine

Acta Crystallographica Section C

2,002

58

12

o700

o703

10.1107/S0108270102018760

0.71073

MoKα

0.036

0.032

null

0.084

0.087

null

0.988

null

has coordinates,has Fobs

Seshadri, P. R.; Velmurugan, D.; Govindaraj, J.; Kannadasan, S.; Srinivasan, P. C.; Shanmuga Sundara Raj, S.; Fun, H.-K.; Kim, M. J. Trimethyl[3-methyl-1-(o-tolenesulfonyl)indol-2-ylmethyl]ammonium iodide and benzyl[3-bromo-1-(phenylsulfonyl)indol-2-ylmethyl]tolylamine Acta Crystallographica Section C 58(12) (20...

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$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/2/01/30/2013087.cif $ #-------------------------------------------------------------------...

2,013,088

9.742

0.005

12.211

0.005

12.446

0.005

61.362

0.005

99.119

0.005

108.61

0.005

1,231.5

1

293

2

293

2

null

6

P -1

-P 1

2

indole

Benzyl[3-bromo-1-(phenylsulfonyl)indol-2-ylmethyl]tolylamine

- C29 H25 Br N2 O2 S -

- C58 H50 Br2 N4 O4 S2 -

2

1

SK1573

Seshadri, P. R.; Velmurugan, D.; Govindaraj, J.; Kannadasan, S.; Srinivasan, P. C.; Shanmuga Sundara Raj, S.; Fun, H.-K.; Kim, M. J.

Trimethyl[3-methyl-1-(o-tolenesulfonyl)indol-2-ylmethyl]ammonium iodide and benzyl[3-bromo-1-(phenylsulfonyl)indol-2-ylmethyl]tolylamine

Acta Crystallographica Section C

2,002

58

12

o700

o703

10.1107/S0108270102018760

0.71069

MoKα

0.117

0.045

null

0.116

0.146

null

0.891

null

has coordinates,has Fobs

Seshadri, P. R.; Velmurugan, D.; Govindaraj, J.; Kannadasan, S.; Srinivasan, P. C.; Shanmuga Sundara Raj, S.; Fun, H.-K.; Kim, M. J. Trimethyl[3-methyl-1-(o-tolenesulfonyl)indol-2-ylmethyl]ammonium iodide and benzyl[3-bromo-1-(phenylsulfonyl)indol-2-ylmethyl]tolylamine Acta Crystallographica Section C 58(12) (20...

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$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/2/01/30/2013088.cif $ #-------------------------------------------------------------------...

2,013,089

11.722

0.002

18.391

0.014

25.528

0.006

90

null

90

null

90

null

5,503

4

150

2

150

2

null

5

P 21 21 21

P 2ac 2ab

19

[N-({2-[N-(S)-(2-picolyl)prolylamino]phenyl}phenylmethylene)-(S)- phenylalaninato]nickel(II)

- C33 H30 N4 Ni O3 -

- C264 H240 N32 Ni8 O24 -

8

2

SK1578

Blake, Alexander J.; De, Binod B.; Li, Wan-Sheung; Thomas, Neil R.

Retroracemization using new forms of Belokon's original ligand: intermediate Ni^II^ complexes of N-({2-[N-(S)-alkylprolylamino]phenyl}phenylmethylene)-(S)-phenylalanine (alkyl is 2-picolyl, 3-picolyl or ethyl)

Acta Crystallographica Section C

2,002

58

12

m570

m574

10.1107/S0108270102018309

0.71073

MoKα

0.077

0.054

null

0.098

0.115

null

1.18

null

has coordinates,has Fobs

Blake, Alexander J.; De, Binod B.; Li, Wan-Sheung; Thomas, Neil R. Retroracemization using new forms of Belokon's original ligand: intermediate Ni^II^ complexes of N-({2-[N-(S)-alkylprolylamino]phenyl}phenylmethylene)-(S)-phenylalanine (alkyl is 2-picolyl, 3-picolyl or ethyl) Acta Crystallog...

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/2/01/30/2013089.cif $ #-------------------------------------------------------------------...

2,013,090

11.522

0.004

18.623

0.006

25.828

0.007

90

null

90

null

90

null

5,542

3

150

2

150

2

null

5

P 21 21 21

P 2ac 2ab

19

[N-({2-[N-(S)-(3-picolyl)prolylamino]phenyl}phenylmethylene)-(S)- phenylalaninato]nickel(II) hemihydrate

- C33 H31 N4 Ni O3.5 -

- C33 H30 N4 Ni O3.5 -

- C264 H240 N32 Ni8 O28 -

8

2

SK1578

Blake, Alexander J.; De, Binod B.; Li, Wan-Sheung; Thomas, Neil R.

Retroracemization using new forms of Belokon's original ligand: intermediate Ni^II^ complexes of N-({2-[N-(S)-alkylprolylamino]phenyl}phenylmethylene)-(S)-phenylalanine (alkyl is 2-picolyl, 3-picolyl or ethyl)

Acta Crystallographica Section C

2,002

58

12

m570

m574

10.1107/S0108270102018309

0.71073

MoKα

0.1

0.066

null

0.106

0.126

null

1.29

null

has coordinates,has Fobs

Blake, Alexander J.; De, Binod B.; Li, Wan-Sheung; Thomas, Neil R. Retroracemization using new forms of Belokon's original ligand: intermediate Ni^II^ complexes of N-({2-[N-(S)-alkylprolylamino]phenyl}phenylmethylene)-(S)-phenylalanine (alkyl is 2-picolyl, 3-picolyl or ethyl) Acta Crystallog...

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/2/01/30/2013090.cif $ #-------------------------------------------------------------------...

2,013,091

9.692

0.003

10.047

0.002

26.06

0.006

90

null

90

null

90

null

2,537.6

1.1

220

2

220

2

null

5

P 21 21 21

P 2ac 2ab

19

[N-({2-[N-(S)-ethylprolylamino]phenyl}phenylmethylene)-(S)- phenylalaninato]nickel(II)

- C29 H29 N3 Ni O3 -

- C116 H116 N12 Ni4 O12 -

4

1

SK1578

Blake, Alexander J.; De, Binod B.; Li, Wan-Sheung; Thomas, Neil R.

Retroracemization using new forms of Belokon's original ligand: intermediate Ni^II^ complexes of N-({2-[N-(S)-alkylprolylamino]phenyl}phenylmethylene)-(S)-phenylalanine (alkyl is 2-picolyl, 3-picolyl or ethyl)

Acta Crystallographica Section C

2,002

58

12

m570

m574

10.1107/S0108270102018309

0.71073

MoKα

0.055

0.05

null

0.128

0.135

null

1.08

null

has coordinates,has Fobs

Blake, Alexander J.; De, Binod B.; Li, Wan-Sheung; Thomas, Neil R. Retroracemization using new forms of Belokon's original ligand: intermediate Ni^II^ complexes of N-({2-[N-(S)-alkylprolylamino]phenyl}phenylmethylene)-(S)-phenylalanine (alkyl is 2-picolyl, 3-picolyl or ethyl) Acta Crystallog...

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/2/01/30/2013091.cif $ #-------------------------------------------------------------------...

2,013,092

25.166

0.003

5.029

0.0005

15.159

0.0016

90

null

97.648

0.009

90

null

1,901.5

0.4

296

2

296

2

null

4

C 1 2/c 1

-C 2yc

15

N,N'-bis(2-pyridyl)benzene-1,4-diamine 2,5-dihydroxy-1,4-benzoquinone (1/1)

- C22 H18 N4 O4 -

- C88 H72 N16 O16 -

4

0.5

SK1587

Gdaniec, Maria; Bensemann, Igor; Połoński, Tadeusz

Hydrogen-bonded one-dimensional networks in 1:1 complexes of N,N'-bis(2-pyridyl)aryldiamines with anilic acid

Acta Crystallographica Section C

2,002

58

12

o735

o738

10.1107/S0108270102020644

0.71073

MoKα

0.115

0.045

null

0.075

0.088

null

0.939

null

has coordinates,has Fobs

Gdaniec, Maria; Bensemann, Igor; Połoński, Tadeusz Hydrogen-bonded one-dimensional networks in 1:1 complexes of N,N'-bis(2-pyridyl)aryldiamines with anilic acid Acta Crystallographica Section C 58(12) (2002) o735-o738

211,332

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2018-10-05 15:19:55 +0300 (Fri, 05 Oct 2018) $ #$Revision: 211332 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/30/2013092.cif $ #-------------------------------------------------------------------...

2,013,093

14.8368

0.0018

5.0801

0.0006

16.0207

0.0016

90

null

114.106

0.011

90

null

1,102.2

0.2

294

2

294

2

null

4

P 1 21/c 1

-P 2ybc

14

N,N'-bis(2-pyridyl)biphenyl-4,4'-diamine 2,5-dihydroxy-1,4-benzoquinone (1/1)

- C28 H22 N4 O4 -

- C56 H44 N8 O8 -

2

0.5

SK1587

Gdaniec, Maria; Bensemann, Igor; Połoński, Tadeusz

Hydrogen-bonded one-dimensional networks in 1:1 complexes of N,N'-bis(2-pyridyl)aryldiamines with anilic acid

Acta Crystallographica Section C

2,002

58

12

o735

o738

10.1107/S0108270102020644

0.71073

MoKα

0.073

0.037

null

0.089

0.1

null

0.934

null

has coordinates,has Fobs

Gdaniec, Maria; Bensemann, Igor; Połoński, Tadeusz Hydrogen-bonded one-dimensional networks in 1:1 complexes of N,N'-bis(2-pyridyl)aryldiamines with anilic acid Acta Crystallographica Section C 58(12) (2002) o735-o738

211,332

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2018-10-05 15:19:55 +0300 (Fri, 05 Oct 2018) $ #$Revision: 211332 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/30/2013093.cif $ #-------------------------------------------------------------------...

2,013,094

15.3965

0.0006

15.3965

0.0006

10.0549

0.0005

90

null

90

null

120

null

2,064.2

0.15

293

2

293

2

null

4

R -3 :H

-R 3

148

Dimercury(II) selenite(IV) oxide hydrate

- H0.3333 Hg2 O4.1667 Se -

- Hg2 O4.16667 Se -

- Hg36 O75 Se18 -

18

1

SK1593

Weil, Matthias

The channel structure of the mercury(II) selenite(IV) oxide hydrate HgSeO~3~·HgO·{1 øver 6}H~2~O

Acta Crystallographica Section C

2,002

58

12

i164

i166

10.1107/S0108270102018152

0.71073

MoKα

0.028

0.022

null

0.053

0.054

null

1.09

null

has coordinates,has Fobs

Weil, Matthias The channel structure of the mercury(II) selenite(IV) oxide hydrate HgSeO~3~·HgO·{1 øver 6}H~2~O Acta Crystallographica Section C 58(12) (2002) i164-i166

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/2/01/30/2013094.cif $ #-------------------------------------------------------------------...

2,013,095

7.5571

0.0001

9.4931

0.0001

23.4455

0.0002

90

null

90

null

90

null

1,681.99

0.03

160

1

160

1

null

4

P 21 21 21

P 2ac 2ab

19

4,1',6'-trichloro-4,1',6'-trideoxysucrose monohydrate

1,6-dichloro-1,6-dideoxy-β-D-fructofuranosyl 4-chloro-4-deoxy-α-D-glucopyranoside monohydrate

- C12 H21 Cl3 O9 -

- C48 H84 Cl12 O36 -

4

1

SK1596

Linden, Anthony; Muhammad Sofian, A. S.; Lee, C. Kuan

4,1',6'-Trichloro-4,1',6'-trideoxysucrose monohydrate

Acta Crystallographica Section C

2,002

58

12

o711

o714

10.1107/S0108270102020048

0.71073

MoKα

0.034

0.028

null

0.065

0.068

null

1.047

null

has coordinates,has Fobs

Linden, Anthony; Muhammad Sofian, A. S.; Lee, C. Kuan 4,1',6'-Trichloro-4,1',6'-trideoxysucrose monohydrate Acta Crystallographica Section C 58(12) (2002) o711-o714

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$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/2/01/30/2013095.cif $ #-------------------------------------------------------------------...

2,013,096

8.2962

0.0001

9.4622

0.0001

9.9471

0.0003

61.6508

0.0006

69.969

0.0006

71.4651

0.0011

634.15

0.02

160

1

160

1

null

4

P 1

1

2,3,3',6-tetra-O-acetyl-4,1',6'-trichloro-4,1',4',6'-tetradeoxygalactosucrose

3-O-acetyl-1,6-dichloro-1,4,6-trideoxy-β-D-fructofuranosyl 2,3,6-tri-O-acetyl-4-chloro-4-deoxy-α-D-galactopyranoside

- C20 H27 Cl3 O11 -

1

SK1597

Linden, Anthony; Muhammad Sofian, A. S.; Lee, C. Kuan

2,3,3',6-Tetra-O-acetyl-4,1',6'-trichloro-4,1',4',6'-tetradeoxygalactosucrose

Acta Crystallographica Section C

2,002

58

12

o718

o720

10.1107/S0108270102020000

0.71073

MoKα

0.044

0.035

null

0.085

0.089

null

1.03

null

has coordinates,has disorder,has Fobs

Linden, Anthony; Muhammad Sofian, A. S.; Lee, C. Kuan 2,3,3',6-Tetra-O-acetyl-4,1',6'-trichloro-4,1',4',6'-tetradeoxygalactosucrose Acta Crystallographica Section C 58(12) (2002) o718-o720

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$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/2/01/30/2013096.cif $ #-------------------------------------------------------------------...

2,013,097

11.76

0.002

20.625

0.004

14.109

0.003

90

null

113.55

0.03

90

null

3,137.1

1.3

293

2

293

2

null

6

P 1 21/n 1

-P 2yn

14

Hexaamminecobalt(III) aquabis(nitrilotriacetato-κ^4^N,O,O',O'')gadolinate(III) octahydrate

- C12 H48 Co Gd N8 O21 -

- C48 H192 Co4 Gd4 N32 O84 -

4

1

TA1390

Baldwin, Steven M.; Kastner, M. E.

Hexaamminecobalt(III) aquabis(nitrilotriacetato-κ^4^N,O,O',O'')gadolinate(III) octahydrate

Acta Crystallographica Section C

2,002

58

12

m611

m612

10.1107/S0108270102019601

0.71073

MoKα

0.073

0.058

null

0.161

0.172

null

1.116

null

has coordinates,has Fobs

Baldwin, Steven M.; Kastner, M. E. Hexaamminecobalt(III) aquabis(nitrilotriacetato-κ^4^N,O,O',O'')gadolinate(III) octahydrate Acta Crystallographica Section C 58(12) (2002) m611-m612

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$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/2/01/30/2013097.cif $ #-------------------------------------------------------------------...

2,013,098

11.373

0.002

7.8632

0.0016

13.162

0.003

90

null

100.92

0.03

90

null

1,155.7

0.4

293

2

293

2

null

5

C 1 2/c 1

-C 2yc

15

catena-poly-[[diaquacobalt(II)]-μ-(2,2'-bipyridyl-3,3'-dicarboxylato- κ^4^N,N':O,O')]

- C12 H10 Co N2 O6 -

- C48 H40 Co4 N8 O24 -

4

0.5

TA1395

Zhang, Guohong; Wei, Yongge; Wang, Ping; Guo, Hongyou

A novel one-dimensional coordination polymer, catena-poly[[diaquacobalt(II)]-μ-(2,2'-bipyridyl-3,3'-dicarboxylato-κ^4^N,N':O,O')]

Acta Crystallographica Section C

2,002

58

12

m605

m607

10.1107/S010827010202019X

0.71073

MoKα

0.08

0.054

null

0.121

0.132

null

1.037

null

has coordinates,has Fobs

Zhang, Guohong; Wei, Yongge; Wang, Ping; Guo, Hongyou A novel one-dimensional coordination polymer, catena-poly[[diaquacobalt(II)]-μ-(2,2'-bipyridyl-3,3'-dicarboxylato-κ^4^N,N':O,O')] Acta Crystallographica Section C 58(12) (2002) m605-m607

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/2/01/30/2013098.cif $ #-------------------------------------------------------------------...

2,013,099

12.4608

0.0012

17.744

0.002

23.7491

0.0013

90

null

102.428

0.006

90

null

5,128

0.8

296

2

296

2

null

5

P 1 21/c 1

-P 2ybc

14

(diphenylcarbenyl-κC)(methanol-κO)(5,10,15,20-tetra-p-tolylporphyrinato- κ^4^N)ruthenium(II) methanol solvate

- C63 H54 N4 O2 Ru -

- C252 H216 N16 O8 Ru4 -

4

1

TR1039

Kawai, Masashi; Yuge, Hidetaka; Miyamoto, Takeshi Ken

A ruthenium(II)‒porphyrin‒carbene complex with a weakly bonded methanol ligand

Acta Crystallographica Section C

2,002

58

12

m581

m582

10.1107/S0108270102019492

0.71069

MoKα

0.12

0.044

null

0.106

0.128

null

1.017

null

has coordinates

Kawai, Masashi; Yuge, Hidetaka; Miyamoto, Takeshi Ken A ruthenium(II)‒porphyrin‒carbene complex with a weakly bonded methanol ligand Acta Crystallographica Section C 58(12) (2002) m581-m582

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/2/01/30/2013099.cif $ #-------------------------------------------------------------------...

2,013,100

12.4673

0.0018

13.5634

0.0018

13.591

0.0018

105.642

0.004

101.243

0.004

90.381

0.005

2,166.4

0.5

100

2

100

2

null

5

P -1

-P 1

2

bis[1,2-dicarba-closo-dodecaboran(12)-1-yl]mercury(II) dichloromethane solvate

- C5 H24 B20 Cl2 Hg -

- C20 H96 B80 Cl8 Hg4 -

4

2

TR1042

Morel, Pierre; Schaffer, Paul; Britten, James F.; Valliant, John F.

Solvent‒metal interactions in bis[1,2-dicarba-closo-dodecaboran(12)-1-yl]mercury(II) dichloromethane solvate and bis[1,12-dicarba-closo-dodecaboran(12)-1-yl]mercury(II) tetrahydrofuran solvate

Acta Crystallographica Section C

2,002

58

12

m601

m604

10.1107/S0108270102020036

0.71073

MoKα

0.033

0.026

null

0.059

0.062

null

1.046

null

has coordinates,has Fobs

Morel, Pierre; Schaffer, Paul; Britten, James F.; Valliant, John F. Solvent‒metal interactions in bis[1,2-dicarba-closo-dodecaboran(12)-1-yl]mercury(II) dichloromethane solvate and bis[1,12-dicarba-closo-dodecaboran(12)-1-yl]mercury(II) tetrahydrofuran solvate Acta Crystallographica Section C 58(12) (2002...

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/2/01/31/2013100.cif $ #-------------------------------------------------------------------...

2,013,101

12.186

0.007

19.548

0.012

19.7

0.012

90

null

90.055

0.01

90

null

4,693

5

173

2

173

2

null

5

P 1 21/n 1

-P 2yn

14

bis[1,12-dicarba-closo-dodecaboran(12)-1-yl]mercury(II) tetrahydrofuran solvate

- C8 H30 B20 Hg O -

- C64 H240 B160 Hg8 O8 -

8

2

TR1042

Morel, Pierre; Schaffer, Paul; Britten, James F.; Valliant, John F.

Solvent‒metal interactions in bis[1,2-dicarba-closo-dodecaboran(12)-1-yl]mercury(II) dichloromethane solvate and bis[1,12-dicarba-closo-dodecaboran(12)-1-yl]mercury(II) tetrahydrofuran solvate

Acta Crystallographica Section C

2,002

58

12

m601

m604

10.1107/S0108270102020036

0.71073

MoKα

0.066

0.044

null

0.092

0.107

null

1.061

null

has coordinates,has Fobs

Morel, Pierre; Schaffer, Paul; Britten, James F.; Valliant, John F. Solvent‒metal interactions in bis[1,2-dicarba-closo-dodecaboran(12)-1-yl]mercury(II) dichloromethane solvate and bis[1,12-dicarba-closo-dodecaboran(12)-1-yl]mercury(II) tetrahydrofuran solvate Acta Crystallographica Section C 58(12) (2002...

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/2/01/31/2013101.cif $ #-------------------------------------------------------------------...

2,013,102

6.1664

0.001

8.3913

0.0018

8.6842

0.0017

90.062

0.017

110.351

0.015

93.176

0.016

420.56

0.15

293

2

293

2

null

3

P -1

-P 1

2

1-(1-piperidiniomethyl)-1H-tetrazolide

- C7 H13 N5 -

- C14 H26 N10 -

2

1

AV1125

Lyakhov, Alexander S.; Voitekhovich, Sergei V.; Gaponik, Pavel N.; Ivashkevich, Ludmila S.

Zwitterionic 5-(1-piperidiniomethyl)-1H-tetrazolide

Acta Crystallographica Section C

2,003

59

1

o22

o23

10.1107/S0108270102020905

0.71069

MoKα

0.045

0.04

null

0.112

0.118

null

1.06

null

has coordinates,has Fobs

Lyakhov, Alexander S.; Voitekhovich, Sergei V.; Gaponik, Pavel N.; Ivashkevich, Ludmila S. Zwitterionic 5-(1-piperidiniomethyl)-1H-tetrazolide Acta Crystallographica Section C 59(1) (2003) o22-o23

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$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/2/01/31/2013102.cif $ #-------------------------------------------------------------------...

2,013,103

6.004

0.0012

8.358

0.0017

12.27

0.003

90

null

92.72

0.03

90

null

615

0.2

293

2

100

1

null

4

P 1 21/n 1

-P 2yn

14

2,5-Di-2-thienylthiazolo[4,5-d]thiazole

- C12 H6 N2 S4 -

- C24 H12 N4 S8 -

2

0.5

AV1128

Wagner, Paweł; Kubicki, Maciej

2,5-Di-2-thienylthiazolo[4,5-d]thiazole

Acta Crystallographica Section C

2,003

59

2

o91

o92

10.1107/S0108270103001069

0.71073

MoKα

0.0314

0.0283

null

0.0663

0.0681

null

1.095

null

has coordinates

Wagner, Paweł; Kubicki, Maciej 2,5-Di-2-thienylthiazolo[4,5-d]thiazole Acta Crystallographica Section C 59(2) (2003) o91-o92

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$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/2/01/31/2013103.cif $ #-------------------------------------------------------------------...

2,013,104

9.7204

0.0014

23.495

0.002

14.541

0.003

90

null

107.578

0.014

90

null

3,165.8

0.9

293

2

293

2

null

5

P 1 21/c 1

-P 2ybc

14

- C16 H24 Cl6 Cu3 N16 -

- C64 H96 Cl24 Cu12 N64 -

4

1

AV1129

Lyakhov, Alexander S.; Gaponik, Pavel N.; Degtyarik, Michail M.; Matulis, Vadim E.; Matulis, Vitaly E.; Ivashkevich, Ludmila S.

catena-Poly[[tetrakis(2-allyltetrazole-κN^4^)-tetra-μ-chloro-tricopper(II)]-di-μ-chloro]

Acta Crystallographica Section C

2,003

59

3

m90

m92

10.1107/S0108270103002968

0.71073

MoKα

0.0492

0.0358

null

0.0859

0.0928

null

1.002

null

has coordinates,has Fobs

Lyakhov, Alexander S.; Gaponik, Pavel N.; Degtyarik, Michail M.; Matulis, Vadim E.; Matulis, Vitaly E.; Ivashkevich, Ludmila S. catena-Poly[[tetrakis(2-allyltetrazole-κN^4^)-tetra-μ-chloro-tricopper(II)]-di-μ-chloro] Acta Crystallographica Section C 59(3) (2003) m90-m92

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/2/01/31/2013104.cif $ #-------------------------------------------------------------------...

2,013,105

3.3477

0.0008

3.3477

0.0008

12.875

0.004

90

null

90

null

120

null

124.96

0.06

150

2

150

2

null

3

P 63/m m c

-P 6c 2c

194

lithium niobium disulfide

- Li0.63 Nb S2 -

- Li1.26 Nb2 S4 -

2

0.083333

BC1001

Salyer, Pamela A.; Barker, Marten G.; Blake, Alexander J.; Gregory, Duncan H.; Wilson, Claire

Lithium niobium disulfide, Li~0.63~NbS~2~

Acta Crystallographica Section C

2,003

59

1

i4

i6

10.1107/S0108270102021844

0.71073

MoKα

0.019

0.018

null

0.043

0.044

null

1.421

null

has coordinates,has Fobs

Salyer, Pamela A.; Barker, Marten G.; Blake, Alexander J.; Gregory, Duncan H.; Wilson, Claire Lithium niobium disulfide, Li~0.63~NbS~2~ Acta Crystallographica Section C 59(1) (2003) i4-i6

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/2/01/31/2013105.cif $ #-------------------------------------------------------------------...

2,013,106

7.858

0.0011

5.5281

0.0009

31.449

0.005

90

null

97.166

0.016

90

null

1,355.5

0.4

293

2

293

null

3

P 1 21/c 1

-P 2ybc

14

Lanthanum titanate

pentalanthanum pentatitanium heptadecaoxide

- La5 O17 Ti5 -

- La20 O68 Ti20 -

4

1

BC1002

Daniels, Peter; Lichtenberg, Frank; Smaalen, Sander van

Perovskite-related LaTiO~3.41~

Acta Crystallographica Section C

2,003

59

2

i15

i17

10.1107/S0108270102023612

0.71069

MoKα

0.06

0.039

null

0.074

0.082

null

1.127

null

has coordinates,has Fobs

Daniels, Peter; Lichtenberg, Frank; Smaalen, Sander van Perovskite-related LaTiO~3.41~ Acta Crystallographica Section C 59(2) (2003) i15-i17

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/2/01/31/2013106.cif $ #-------------------------------------------------------------------...

2,013,107

6.9219

0.001

6.9219

0.001

8.1465

0.0016

90

null

90

null

120

null

338.03

0.1

293

2

293

2

null

5

P 3 1 2

P 3 2

149

Potassium manganese(II) dicyanoargentate(I)

- C6 Ag3 K Mn N6 -

1

0.166667

BC1004

Geiser, Urs; Schlueter, John A.

KMnAg~3~(CN)~6~, a new triply interpenetrating network solid

Acta Crystallographica Section C

2,003

59

3

i21

i23

10.1107/S0108270103001264

0.71073

MoKα

0.012

null

0.032

null

1.112

null

has coordinates,has Fobs

Geiser, Urs; Schlueter, John A. KMnAg~3~(CN)~6~, a new triply interpenetrating network solid Acta Crystallographica Section C 59(3) (2003) i21-i23

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/2/01/31/2013107.cif $ #-------------------------------------------------------------------...

2,013,108

10.1195

0.0008

11.865

0.001

12.271

0.001

70.563

0.007

70.092

0.008

73.452

0.007

1,281.7

0.2

293

2

293

2

null

4

P -1

-P 1

2

Pyrazolo[3,4-d]pyrimidine

1-{5-[4,6-bis(methylsulfanyl)-2H-pyrazolo[3,4-d]pyrimidin-2-yl]pentyl}- 6-methylsulfanyl-4-(pyrrolidin-1-yl)-1H-pyrazolo[3,4-d]pyrimidine

- C22 H29 N9 S3 -

- C44 H58 N18 S6 -

2

1

BM1510

Avasthi, Kamlakar; Farooq, Sheikh M.; Tewari, Ashish K.; Sharon, Ashoke; Maulik, Prakas R.

Intermolecular stacking in pyrazolo[3,4-d]pyrimidine-based pentamethylene-linked flexible molecules

Acta Crystallographica Section C

2,003

59

1

o42

o45

10.1107/S0108270102020681

0.71073

MoKα

0.057

0.042

null

0.108

0.119

null

1.031

null

has coordinates,has Fobs

Avasthi, Kamlakar; Farooq, Sheikh M.; Tewari, Ashish K.; Sharon, Ashoke; Maulik, Prakas R. Intermolecular stacking in pyrazolo[3,4-d]pyrimidine-based pentamethylene-linked flexible molecules Acta Crystallographica Section C 59(1) (2003) o42-o45

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$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/2/01/31/2013108.cif $ #-------------------------------------------------------------------...

2,013,109

10.006

0.001

15.283

0.001

18.411

0.002

74.164

0.007

89.97

0.009

86.359

0.009

2,702.7

0.4

293

2

293

2

null

4

P -1

-P 1

2

Pyrazolo[3,4-d]pyrimidine

6-methylsulfanyl-1-{5-[6-methylsulfanyl-4-(pyrrolidin-1-yl)-2H- pyrazolo[3,4-d]pyrimidin-2-yl]pentyl}-4-(pyrrolidin-1-yl)-1H- pyrazolo[3,4-d]pyrimidine

- C25 H34 N10 S2 -

- C100 H136 N40 S8 -

4

2

BM1510

Avasthi, Kamlakar; Farooq, Sheikh M.; Tewari, Ashish K.; Sharon, Ashoke; Maulik, Prakas R.

Intermolecular stacking in pyrazolo[3,4-d]pyrimidine-based pentamethylene-linked flexible molecules

Acta Crystallographica Section C

2,003

59

1

o42

o45

10.1107/S0108270102020681

0.71073

MoKα

0.109

0.057

null

0.127

0.15

null

1.021

null

has coordinates,has Fobs

Avasthi, Kamlakar; Farooq, Sheikh M.; Tewari, Ashish K.; Sharon, Ashoke; Maulik, Prakas R. Intermolecular stacking in pyrazolo[3,4-d]pyrimidine-based pentamethylene-linked flexible molecules Acta Crystallographica Section C 59(1) (2003) o42-o45

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$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/2/01/31/2013109.cif $ #-------------------------------------------------------------------...

2,013,110

7.0855

0.001

7.0855

0.001

26.99

0.005

90

null

90

null

90

null

1,355

0.4

150

2

150

2

null

4

P 41 21 2

P 4abw 2nw

92

2-amino-6-chloropurine

- C5 H4 Cl N5 -

- C40 H32 Cl8 N40 -

8

1

BM1512

Daniel E. Lynch; Ian McClenaghan

Three 2-aminopurine derivatives

Acta Crystallographica Section C

2,003

59

1

o53

o56

10.1107/S0108270102021960

0.71073

MoKα

0.067

0.0384

null

0.0762

0.0833

null

1.037

null

has coordinates,has Fobs

Daniel E. Lynch; Ian McClenaghan Three 2-aminopurine derivatives Acta Crystallographica Section C 59(1) (2003) o53-o56

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$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/2/01/31/2013110.cif $ #-------------------------------------------------------------------...

2,013,111

13.353

0.003

7.743

0.002

47.6

0.01

90

null

95.85

0.03

90

null

4,896

2

120

2

120

2

null

6

C 1 2/c 1

-C 2yc

15

2-amino-6-(4-chlorophenylthio)purine hemihydrate

- C11 H9 Cl N5 O0.5 S -

- C176 H144 Cl16 N80 O8 S16 -

16

2

BM1512

Daniel E. Lynch; Ian McClenaghan

Three 2-aminopurine derivatives

Acta Crystallographica Section C

2,003

59

1

o53

o56

10.1107/S0108270102021960

0.71073

MoKα

0.0568

0.0396

null

0.0976

0.1048

null

1.105

null

has coordinates,has Fobs

Daniel E. Lynch; Ian McClenaghan Three 2-aminopurine derivatives Acta Crystallographica Section C 59(1) (2003) o53-o56

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$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/2/01/31/2013111.cif $ #-------------------------------------------------------------------...

2,013,112

10.8074

0.0002

11.6355

0.0003

15.3922

0.0003

85.468

0.002

83.265

0.001

79.7992

0.0009

1,888.46

0.07

150

2

150

2

null

5

P -1

-P 1

2

2-amino-6-(4-methylphenylthio)purine 1/3hydrate

- C12 H11.667 N5 O0.333 S -

- C12 H11.6667 N5 O0.333333 S -

- C72 H70 N30 O2 S6 -

6

3

BM1512

Daniel E. Lynch; Ian McClenaghan

Three 2-aminopurine derivatives

Acta Crystallographica Section C

2,003

59

1

o53

o56

10.1107/S0108270102021960

0.71073

MoKα

0.15

0.0548

null

0.102

0.128

null

0.942

null

has coordinates,has Fobs

Daniel E. Lynch; Ian McClenaghan Three 2-aminopurine derivatives Acta Crystallographica Section C 59(1) (2003) o53-o56

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/2/01/31/2013112.cif $ #-------------------------------------------------------------------...

2,013,113

7.126

0.003

12.32

0.004

13.905

0.005

90

null

90

null

90

null

1,220.8

0.8

120

2

120

2

null

4

P 21 21 21

P 2ac 2ab

19

9,12-diiodo-ortho-carborane

9,12-diiodo-1,2-dicarba-closo-dodecaborane(12)

- C2 H10 B10 I2 -

- C8 H40 B40 I8 -

4

1

BM1513

Batsanov, Andrei S.; Fox, Mark A.; Howard, Judith A. K.; Hughes, Andrew K.; Johnson, Andrew L.; Martindale, Steven J.

9,12-Diiodo-1,2-dicarba-closo-dodecaborane(12)

Acta Crystallographica Section C

2,003

59

2

o74

o76

10.1107/S0108270102023582

0.71073

MoKα

0.0204

0.019

null

0.046

0.0465

null

1.046

null

has coordinates,has Fobs

Batsanov, Andrei S.; Fox, Mark A.; Howard, Judith A. K.; Hughes, Andrew K.; Johnson, Andrew L.; Martindale, Steven J. 9,12-Diiodo-1,2-dicarba-closo-dodecaborane(12) Acta Crystallographica Section C 59(2) (2003) o74-o76

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/2/01/31/2013113.cif $ #-------------------------------------------------------------------...

2,013,114

22.335

0.0001

10.9094

0.0002

22.1061

0.0002

90

null

90

null

90

null

5,386.4

0.11

290

2

290

2

null

5

P c a 21

P 2c -2ac

29

Bis{2,6-bis[3-(2,4,6-trimethylphenyl)pyrazol- 1-yl-κN^2^]pyridine-κN}cobalt(II) dinitrate

- C58 H58 Co N12 O6 -

- C232 H232 Co4 N48 O24 -

4

1

BM1518

Halcrow, Malcolm A.; Kilner, Colin A.

Bis{2,6-bis[3-(2,4,6-trimethylphenyl)pyrazol-1-yl-κN^2^]pyridine-κN}cobalt(II) dinitrate at 290 and 150K

Acta Crystallographica Section C

2,003

59

2

m61

m63

10.1107/S0108270102023296

0.71073

MoKα

0.044

0.037

null

0.097

0.104

null

1.037

null

has coordinates,has disorder,has Fobs

Halcrow, Malcolm A.; Kilner, Colin A. Bis{2,6-bis[3-(2,4,6-trimethylphenyl)pyrazol-1-yl-κN^2^]pyridine-κN}cobalt(II) dinitrate at 290 and 150K Acta Crystallographica Section C 59(2) (2003) m61-m63

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/2/01/31/2013114.cif $ #-------------------------------------------------------------------...

2,013,115

22.1974

0.0002

10.7761

0.0001

22.0365

0.0001

90

null

90

null

90

null

5,271.16

0.07

150

2

150

2

null

5

P c a 21

P 2c -2ac

29

Bis{2,6-bis[3-(2,4,6-trimethylphenyl)pyrazol- 1-yl-κN^2^]pyridine-κN}cobalt(II) dinitrate

- C58 H58 Co N12 O6 -

- C232 H232 Co4 N48 O24 -

4

1

BM1518

Halcrow, Malcolm A.; Kilner, Colin A.

Bis{2,6-bis[3-(2,4,6-trimethylphenyl)pyrazol-1-yl-κN^2^]pyridine-κN}cobalt(II) dinitrate at 290 and 150K

Acta Crystallographica Section C

2,003

59

2

m61

m63

10.1107/S0108270102023296

0.71073

MoKα

0.04

0.037

null

0.095

0.099

null

1.055

null

has coordinates,has disorder,has Fobs

Halcrow, Malcolm A.; Kilner, Colin A. Bis{2,6-bis[3-(2,4,6-trimethylphenyl)pyrazol-1-yl-κN^2^]pyridine-κN}cobalt(II) dinitrate at 290 and 150K Acta Crystallographica Section C 59(2) (2003) m61-m63

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/2/01/31/2013115.cif $ #-------------------------------------------------------------------...

2,013,116

12.9265

0.0013

13.6798

0.0014

18.531

0.0019

84.258

0.009

76.394

0.008

65.092

0.008

2,888.7

0.6

128

2

128

2

null

5

P -1

-P 1

2

- C33 H69 Cl8 N11 O37 -

- C66 H138 Cl16 N22 O74 -

2

1

BM1519

McKee, Vickie; Morgan, Grace G.

A perchlorate salt of an octaprotonated cryptand

Acta Crystallographica Section C

2,003

59

3

o150

o152

10.1107/S0108270103002580

0.71073

MoKα

0.0595

0.0435

null

0.104

0.113

null

1.03

null

has coordinates,has Fobs

McKee, Vickie; Morgan, Grace G. A perchlorate salt of an octaprotonated cryptand Acta Crystallographica Section C 59(3) (2003) o150-o152

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$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/2/01/31/2013116.cif $ #-------------------------------------------------------------------...

2,013,117

5.0242

0.0003

14.6263

0.001

12.9024

0.0009

90

null

93.835

0.002

90

null

946.02

0.11

150

2

150

2

null

3

P 1 21/c 1

-P 2ybc

14

Hemimellitic acid methyl ester

Methyl 2,6-dicarboxybenzoate

- C10 H8 O6 -

- C40 H32 O24 -

4

1

BM1520

Dale, Sophie H.; Elsegood, Mark R. J.

Methyl 2,6-dicarboxybenzoate

Acta Crystallographica Section C

2,003

59

3

o165

o166

10.1107/S0108270103002610

0.71073

MoKα

0.044

0.033

null

0.085

0.094

null

1.03

null

has coordinates,has Fobs

Dale, Sophie H.; Elsegood, Mark R. J. Methyl 2,6-dicarboxybenzoate Acta Crystallographica Section C 59(3) (2003) o165-o166

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$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/2/01/31/2013117.cif $ #-------------------------------------------------------------------...

2,013,118

21.6279

0.0002

11.8266

0.0001

20.8023

0.0003

90

null

96.4448

0.0005

90

null

5,287.28

0.1

150

2

150

2

null

6

C 1 2/c 1

-C 2yc

15

Hexa-μ-chloro-μ~4~-oxo-tetrakis{[5-(2,4,6-trimethylphenyl)pyrazole- κN^2^]copper(II)}

- C48 H56 Cl6 Cu4 N8 O -

- C192 H224 Cl24 Cu16 N32 O4 -

4

0.5

BM1524

Liu, Xiao-Ming; Kilner, Colin A.; Halcrow, Malcolm A.

Hexa-μ-chloro-μ~4~-oxo-tetrakis{[5-(2,4,6-trimethylphenyl)pyrazole-κN^2^]copper(II)}

Acta Crystallographica Section C

2,003

59

3

m100

m102

10.1107/S0108270103002853

0.71073

MoKα

0.046

0.036

null

0.094

0.102

null

1.05

null

has coordinates,has Fobs

Liu, Xiao-Ming; Kilner, Colin A.; Halcrow, Malcolm A. Hexa-μ-chloro-μ~4~-oxo-tetrakis{[5-(2,4,6-trimethylphenyl)pyrazole-κN^2^]copper(II)} Acta Crystallographica Section C 59(3) (2003) m100-m102

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/2/01/31/2013118.cif $ #-------------------------------------------------------------------...

2,013,119

9.2

0.003

22.465

0.005

9.708

0.003

90

null

94.06

0.03

90

null

2,001.4

1

293

2

293

2

null

5

P 1 21/c 1

-P 2ybc

14

Ethyl 3-amino-6-phenyl-4-tolylthieno[2,3-b]pyridine-2-carboxylate

- C23 H20 N2 O2 S -

- C92 H80 N8 O8 S4 -

4

1

DE1192

Patel, Urmila H.; Dave, Chaitanya G.; Jotani, Mukesh M.; Shah, Hetal C.

Ethyl 3-amino-6-phenyl-4-tolylthieno[2,3-b]pyridine-2-carboxylate

Acta Crystallographica Section C

2,003

59

1

o30

o32

10.1107/S0108270102020437

0.7093

MoKα1

0.126

0.058

null

0.138

0.156

null

0.975

null

has coordinates,has Fobs

Patel, Urmila H.; Dave, Chaitanya G.; Jotani, Mukesh M.; Shah, Hetal C. Ethyl 3-amino-6-phenyl-4-tolylthieno[2,3-b]pyridine-2-carboxylate Acta Crystallographica Section C 59(1) (2003) o30-o32

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$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/2/01/31/2013119.cif $ #-------------------------------------------------------------------...

2,013,120

9.9351

0.0016

11.149

0.0017

27.977

0.004

90

null

90

null

90

null

3,098.9

0.8

294

2

294

2

null

4

P 21 21 21

P 2ac 2ab

19

(R)-(6,6'-dihydroxybiphenyl-2,2'-diyl)bis(diphenylphosphine oxide)

- C37 H32 O5 P2 -

- C148 H128 O20 P8 -

4

1

DE1193

Qiu, Li Qin; Qi, Jian Ying; Ji, Jian Xin; Zhou, Zhong Yuan; Yeug, Chi Hung; Choi, Michael C. K.; Chan, Albert S. C.

(R)-(6,6'-Dihydroxybiphenyl-2,2'-diyl)bis(diphenylphosphine oxide) methanol solvate

Acta Crystallographica Section C

2,003

59

1

o33

o35

10.1107/S0108270102021042

0.71073

MoKα

0.099

0.042

null

0.062

0.075

null

0.833

null

has coordinates,has Fobs

Qiu, Li Qin; Qi, Jian Ying; Ji, Jian Xin; Zhou, Zhong Yuan; Yeug, Chi Hung; Choi, Michael C. K.; Chan, Albert S. C. (R)-(6,6'-Dihydroxybiphenyl-2,2'-diyl)bis(diphenylphosphine oxide) methanol solvate Acta Crystallographica Section C 59(1) (2003) o33-o35

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$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/2/01/31/2013120.cif $ #-------------------------------------------------------------------...

2,013,121

4.561

0.0008

8.898

0.0017

13.562

0.003

90

null

92.138

0.005

90

null

550.01

0.19

100

2

100

2

null

5

P 1 21 1

P 2yb

4

N^6^-furfuryladenine hydrochloride

N^6^-furfuryladenin-3-ium chloride

- C10 H10 Cl N5 O -

- C20 H20 Cl2 N10 O2 -

2

1

DE1200

Stanley, Nithianantham; Muthiah, Packianathan Thomas; Geib, Steven J.

N^6^-Furfuryladenine (kinetin) hydrochloride

Acta Crystallographica Section C

2,003

59

1

o27

o29

10.1107/S0108270102021030

0.71073

MoKα

0.058

0.048

null

0.119

0.125

null

1.032

null

has coordinates,has Fobs

Stanley, Nithianantham; Muthiah, Packianathan Thomas; Geib, Steven J. N^6^-Furfuryladenine (kinetin) hydrochloride Acta Crystallographica Section C 59(1) (2003) o27-o29

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$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/2/01/31/2013121.cif $ #-------------------------------------------------------------------...

2,013,122

7.995

0.003

26.611

0.005

5.4348

0.0007

90

null

90

null

90

null

1,156.3

0.5

288.2

null

4

P 21 21 21

P 2ac 2ab

19

N-Carboxy-L-aspartic anhydride benzyl ester

Benzyl (1,2,3,4-tetrahydro-2,5-dioxo-1,3-oxazol-4-yl)acetate

- C12 H11 N O5 -

- C48 H44 N4 O20 -

4

1

DE1204

Kanazawa, Hitoshi; Magoshi, Jun

N-Carboxy-L-aspartic anhydride benzyl ester

Acta Crystallographica Section C

2,003

59

3

o159

o161

10.1107/S0108270103002567

0.71073

MoKα

null

0.054

null

0.076

null

1.082

null

has coordinates,has Fobs

Kanazawa, Hitoshi; Magoshi, Jun N-Carboxy-L-aspartic anhydride benzyl ester Acta Crystallographica Section C 59(3) (2003) o159-o161

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$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/2/01/31/2013122.cif $ #-------------------------------------------------------------------...

2,013,123

9.4157

0.0003

9.6893

0.0003

13.9473

0.0004

90

null

92.91

0.01

90

null

1,270.79

0.07

100

2

100

2

null

5

P 1 21 1

P 2yb

4

(1R,1'S)-2',2'-dichloro-N-(1-phenylethyl)cyclopropane-1'-carboxamide

- C12 H13 Cl2 N O -

- C48 H52 Cl8 N4 O4 -

4

2

DE1205

Yufit, Dmitrii S.; Howard, Judith A.K.

Two 2,2-dihalo-N-(1-phenylethyl)cyclopropane-1-carboxamides

Acta Crystallographica Section C

2,003

59

3

o141

o143

10.1107/S0108270103002312

0.71073

MoKα

0.0419

0.0313

null

0.0671

0.0708

null

1.017

null

has coordinates,has Fobs

Yufit, Dmitrii S.; Howard, Judith A.K. Two 2,2-dihalo-N-(1-phenylethyl)cyclopropane-1-carboxamides Acta Crystallographica Section C 59(3) (2003) o141-o143

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$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/2/01/31/2013123.cif $ #-------------------------------------------------------------------...

2,013,124

9.2402

0.0004

14.2669

0.0005

9.3542

0.0004

90

null

109.33

0.01

90

null

1,163.64

0.11

120

2

120

2

null

5

P 1 21 1

P 2yb

4

(1R,1'R)-2',2'-difluoro-N-(1-phenylethyl)cyclopropane-1'-carboxamide

- C12 H13 F2 N O -

- C48 H52 F8 N4 O4 -

4

2

DE1205

Yufit, Dmitrii S.; Howard, Judith A.K.

Two 2,2-dihalo-N-(1-phenylethyl)cyclopropane-1-carboxamides

Acta Crystallographica Section C

2,003

59

3

o141

o143

10.1107/S0108270103002312

0.71073

MoKα

0.0918

0.0454

null

0.0729

0.0844

null

0.986

null

has coordinates,has Fobs

Yufit, Dmitrii S.; Howard, Judith A.K. Two 2,2-dihalo-N-(1-phenylethyl)cyclopropane-1-carboxamides Acta Crystallographica Section C 59(3) (2003) o141-o143

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$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/2/01/31/2013124.cif $ #-------------------------------------------------------------------...

2,013,125

5.977

0.003

5.224

0.003

11.972

0.006

90

null

104.383

0.01

90

null

362.1

0.3

213

2

213

2

null

5

P 1 21 1

P 2yb

4

3-Iodonitrobenzene

3-iodo-1-nitrobenzene

- C6 H4 I N O2 -

- C12 H8 I2 N2 O4 -

2

1

DN1017

Merz, Klaus

Secondary interactions in 1-iodo-3-nitrobenzene and 1-iodo-3,5-dinitrobenzene

Acta Crystallographica Section C

2,003

59

2

o65

o67

10.1107/S0108270102023041

0.71073

MoKα

0.056

0.046

null

0.108

0.112

null

1.025

null

has coordinates,has Fobs

Merz, Klaus Secondary interactions in 1-iodo-3-nitrobenzene and 1-iodo-3,5-dinitrobenzene Acta Crystallographica Section C 59(2) (2003) o65-o67

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$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/2/01/31/2013125.cif $ #-------------------------------------------------------------------...

2,013,126

13.842

0.009

8.164

0.005

15.288

0.009

90

null

101.766

0.012

90

null

1,691.3

1.8

213

2

213

2

null

5

C 1 2/c 1

-C 2yc

15

3-Iodo-5-dinitro-benzene

3-iodo-1,5-dinitro-benzene

- C6 H3 I N2 O4 -

- C48 H24 I8 N16 O32 -

8

1

DN1017

Merz, Klaus

Secondary interactions in 1-iodo-3-nitrobenzene and 1-iodo-3,5-dinitrobenzene

Acta Crystallographica Section C

2,003

59

2

o65

o67

10.1107/S0108270102023041

0.71073

MoKα

0.052

0.037

null

0.08

0.084

null

1.068

null

has coordinates,has Fobs

Merz, Klaus Secondary interactions in 1-iodo-3-nitrobenzene and 1-iodo-3,5-dinitrobenzene Acta Crystallographica Section C 59(2) (2003) o65-o67

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$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/2/01/31/2013126.cif $ #-------------------------------------------------------------------...

2,013,127

10.4878

0.0002

12.2591

0.0002

11.975

0.0003

90

null

95.029

0.001

90

null

1,533.71

0.05

298

2

298

2

null

6

P 1 21 1

P 2yb

4

[7,13-bis(2-aminobenzyl)-1,4,10-trioxa- 7,13-diazacyclopentadecane]diisothiocyanatobarium(II)

- C26 H36 Ba N6 O3 S2 -

- C52 H72 Ba2 N12 O6 S4 -

2

1

FA1001

Avecilla, Fernando; Esteban, David; Platas-Iglesias, Carlos; De Blas, Andres; Rodríguez-Blas, Teresa

[7,13-Bis(2-aminobenzyl)-1,4,10-trioxa-7,13-diazacyclopentadecane]diisothiocyanatobarium(II)

Acta Crystallographica Section C

2,003

59

1

m16

m17

10.1107/S0108270102021571

0.7107

MoKα

0.111

0.054

null

0.08

0.099

null

1.049

null

has coordinates,has disorder,has Fobs

Avecilla, Fernando; Esteban, David; Platas-Iglesias, Carlos; De Blas, Andres; Rodríguez-Blas, Teresa [7,13-Bis(2-aminobenzyl)-1,4,10-trioxa-7,13-diazacyclopentadecane]diisothiocyanatobarium(II) Acta Crystallographica Section C 59(1) (2003) m16-m17

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$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/2/01/31/2013127.cif $ #-------------------------------------------------------------------...

2,013,128

7.71

0.002

32.35

0.005

5.4838

0.0006

90

null

90

null

96.82

0.013

1,358.1

0.4

293

2

null

4

P 1 1 21/b

-P 2bc

14

- Ca4 Na Nb5 O17 -

- Ca16 Na4 Nb20 O68 -

4

1

FA1002

Zúñiga, F. J.; Darriet, J.

NaCa~4~Nb~5~O~17~: a layered perovskite A~n~B~n~O~3n~+2 compound

Acta Crystallographica Section C

2,003

59

2

i18

i20

10.1107/S0108270102022746

0.71069

MoKα

null

0.028

null

0.071

null

1.063

null

has coordinates,has disorder,has Fobs

Zúñiga, F. J.; Darriet, J. NaCa~4~Nb~5~O~17~: a layered perovskite A~n~B~n~O~3n~+2 compound Acta Crystallographica Section C 59(2) (2003) i18-i20

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/2/01/31/2013128.cif $ #-------------------------------------------------------------------...

2,013,129

13.021

0.003

5.516

0.002

7.358

0.002

90

null

106.5

0.03

90

null

506.7

0.3

85

2

85

2

null

5

P 1 2/c 1

-P 2yc

13

calcium bis(2-phosphonoacetate)

poly[calcium(II)-di-μ-carboxymethylphosphonato]

- C4 H8 Ca O10 P2 -

- C8 H16 Ca2 O20 P4 -

2

0.5

FA1003

Ślepokura, Katarzyna; Lis, Tadeusz

Polymeric bis(phosphonomethylcarboxylato)calcium(II) at 85K

Acta Crystallographica Section C

2,003

59

3

m76

m78

10.1107/S0108270102023302

0.71073

MoKα

0.023

0.02

null

0.05

0.051

null

1.127

null

has coordinates,has Fobs

Ślepokura, Katarzyna; Lis, Tadeusz Polymeric bis(phosphonomethylcarboxylato)calcium(II) at 85K Acta Crystallographica Section C 59(3) (2003) m76-m78

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/2/01/31/2013129.cif $ #-------------------------------------------------------------------...

2,013,130

6.4672

0.0004

12.4977

0.001

16.1074

0.0008

90

null

95.024

0.006

90

null

1,296.88

0.15

293

2

293

2

null

6

P 1 21/c 1

-P 2ybc

14

2-(6-bromopyridin-3-yl)-4,4,5,5-tetramethyl-1,3-dioxaborolane

- C11 H15 B Br N O2 -

- C44 H60 B4 Br4 N4 O8 -

4

1

FA1004

Sopková-de Oliveira Santos, Jana; Lancelot, Jean-Charles; Bouillon, Alexandre; Rault, Sylvain

2-(6-Bromopyridin-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane and (6-bromopyridin-3-yl)boronic acid, new bifunctional building blocks for combinatorial chemistry

Acta Crystallographica Section C

2,003

59

3

o111

o113

10.1107/S0108270103000908

0.71069

MoKα

0.141

0.068

null

0.176

0.217

null

1.018

null

has coordinates,has Fobs

Sopková-de Oliveira Santos, Jana; Lancelot, Jean-Charles; Bouillon, Alexandre; Rault, Sylvain 2-(6-Bromopyridin-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane and (6-bromopyridin-3-yl)boronic acid, new bifunctional building blocks for combinatorial chemistry Acta Crystallographica Section C 59(3) (2003) o111-o113

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$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/2/01/31/2013130.cif $ #-------------------------------------------------------------------...

2,013,131

7.4991

0.0009

6.9178

0.0005

13.8251

0.0015

90

null

96.574

0.012

90

null

712.49

0.13

293

2

293

2

null

6

P 1 21/c 1

-P 2ybc

14

(6-bromopyridin-3-yl)boronic acid

- C5 H5 B Br N O2 -

- C20 H20 B4 Br4 N4 O8 -

4

1

FA1004

Sopková-de Oliveira Santos, Jana; Lancelot, Jean-Charles; Bouillon, Alexandre; Rault, Sylvain

2-(6-Bromopyridin-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane and (6-bromopyridin-3-yl)boronic acid, new bifunctional building blocks for combinatorial chemistry

Acta Crystallographica Section C

2,003

59

3

o111

o113

10.1107/S0108270103000908

0.71069

MoKα

0.099

0.049

null

0.111

0.129

null

1.027

null

has coordinates,has Fobs

Sopková-de Oliveira Santos, Jana; Lancelot, Jean-Charles; Bouillon, Alexandre; Rault, Sylvain 2-(6-Bromopyridin-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane and (6-bromopyridin-3-yl)boronic acid, new bifunctional building blocks for combinatorial chemistry Acta Crystallographica Section C 59(3) (2003) o111-o113

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$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/2/01/31/2013131.cif $ #-------------------------------------------------------------------...

2,013,132

9.5691

0.0008

14.8261

0.0013

15.711

0.0013

101.726

0.002

101.994

0.002

91.566

0.002

2,129.2

0.3

293

2

293

2

null

6

P -1

-P 1

2

- C36 H44.5 Ba Cl2 N5.5 O12 -

- C72 H89 Ba2 Cl4 N11 O24 -

2

1

FA1006

Avecilla, Fernando; Esteban, David; Platas–Iglesias, Carlos; De Blas, Andres; Rodríguez–Blas, Teresa

A barium perchlorate complex with a lateral macrobicycle derived from 1,10-diaza-15-crown-5 containing a phenol Schiff base spacer

Acta Crystallographica Section C

2,003

59

3

m93

m94

10.1107/S0108270103002798

0.71073

MoKα

0.0584

0.0447

null

0.1173

0.1258

null

1.024

null

has coordinates,has disorder,has Fobs

Avecilla, Fernando; Esteban, David; Platas–Iglesias, Carlos; De Blas, Andres; Rodríguez–Blas, Teresa A barium perchlorate complex with a lateral macrobicycle derived from 1,10-diaza-15-crown-5 containing a phenol Schiff base spacer Acta Crystallographica Section C 59(3) (2003) m93-m94

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$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/2/01/31/2013132.cif $ #-------------------------------------------------------------------...

2,013,133

9.597

0.0019

10.073

0.002

12.755

0.003

95.04

0.03

111.77

0.03

113.46

0.03

1,009.5

0.6

210

2

210

0.1

null

5

P -1

-P 1

2

Isopropylimidoisopropyamido-bis(isopropylamine)dichlorotantalum(V)

- C12 H33 Cl2 N4 Ta -

- C24 H66 Cl4 N8 Ta2 -

2

1

FG1670

Matthew C. Burland; Tara Y. Meyer; Steven J. Geib

Dichloro(isopropylamido)bis(isopropylamine)(isopropylimido)tantalum(V), a monomeric Ta^V^ compound with imido, amido and amino moieties

Acta Crystallographica Section C

2,003

59

2

m46

m48

10.1107/S0108270102022072

0.71073

MoKα

0.05

0.0398

null

0.1048

0.1091

null

1.09

null

has coordinates,has disorder,has Fobs

Matthew C. Burland; Tara Y. Meyer; Steven J. Geib Dichloro(isopropylamido)bis(isopropylamine)(isopropylimido)tantalum(V), a monomeric Ta^V^ compound with imido, amido and amino moieties Acta Crystallographica Section C 59(2) (2003) m46-m48

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/2/01/31/2013133.cif $ #-------------------------------------------------------------------...

2,013,134

9.5234

0.0004

7.4343

0.0004

12.1939

0.0006

90

null

108.777

0.002

90

null

817.38

0.07

298

2

298

2

null

5

P 1 21/n 1

-P 2yn

14

Tetraaquabis(carbamoyldicyanomethanido-κN)manganese(II) dihydrate

- C8 H16 Mn N6 O8 -

- C16 H32 Mn2 N12 O16 -

2

0.5

FG1671

Schlueter, John A.; Geiser, Urs; Manson, Jamie L.

Tetraaquabis(carbamoyldicyanomethanido-κN)manganese(II) dihydrate

Acta Crystallographica Section C

2,003

59

1

m1

m3

10.1107/S0108270102020334

0.71073

MoKα

0.023

0.021

null

0.058

0.059

null

1.071

null

has coordinates,has Fobs

Schlueter, John A.; Geiser, Urs; Manson, Jamie L. Tetraaquabis(carbamoyldicyanomethanido-κN)manganese(II) dihydrate Acta Crystallographica Section C 59(1) (2003) m1-m3

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/2/01/31/2013134.cif $ #-------------------------------------------------------------------...

2,013,135

10.2172

0.0002

10.374

0.0003

10.8197

0.0003

84.2355

0.0012

68.9131

0.0012

76.9692

0.001

1,042.23

0.05

150

2

150

2

null

6

P -1

-P 1

2

Bis[μ-P,P'-methylenebis(diisopropyl phosphonate)-κ^3^O,O':O]bis[chlorolithium(I)]

- C26 H60 Cl2 Li2 O12 P4 -

1

0.5

FG1675

Henderson, Kenneth W.; Kennedy, Alan R.; MacDougall, Dugald J.; Strachan, Diane

Bis[μ-P,P'-methylenebis(diisopropyl phosphonate)-κ^3^O,O':O]bis[chlorolithium(I)]: a centrosymmetric dimer of lithium chloride with terminal chloride anions

Acta Crystallographica Section C

2,003

59

2

m49

m51

10.1107/S0108270102022795

0.71073

MoKα

0.053

0.042

null

0.107

0.116

null

1.057

null

has coordinates,has disorder,has Fobs

Henderson, Kenneth W.; Kennedy, Alan R.; MacDougall, Dugald J.; Strachan, Diane Bis[μ-P,P'-methylenebis(diisopropyl phosphonate)-κ^3^O,O':O]bis[chlorolithium(I)]: a centrosymmetric dimer of lithium chloride with terminal chloride anions Acta Crystallographica Section C 59(2) (2003) m4...

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$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/2/01/31/2013135.cif $ #-------------------------------------------------------------------...

2,013,136

8.287

0.0009

14.061

0.003

14.9685

0.0015

90

null

90

null

90

null

1,744.2

0.5

296

2

296

2

null

4

P 21 21 21

P 2ac 2ab

19

(-)-sparteine copper(II) diazide

(diazido-N)[(-)-sparteine-N,N']copper(II)

- C15 H26 Cu N8 -

- C60 H104 Cu4 N32 -

4

1

FG1677

Kim, Yong-Kyu; Kim, Bun-Joo; Kang, Sung Kwon; Choi, Sung-Nak; Lee, Yong-Min

Bis(azido-κN)[(6R,7S,8S,14S)-(–)-sparteine-κ^2^N,N']copper(II)

Acta Crystallographica Section C

2,003

59

2

m64

m66

10.1107/S0108270103000684

0.71073

MoKα

0.1211

0.0587

null

0.123

0.171

null

1.064

null

has coordinates,has Fobs

Kim, Yong-Kyu; Kim, Bun-Joo; Kang, Sung Kwon; Choi, Sung-Nak; Lee, Yong-Min Bis(azido-κN)[(6R,7S,8S,14S)-(–)-sparteine-κ^2^N,N']copper(II) Acta Crystallographica Section C 59(2) (2003) m64-m66

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$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/2/01/31/2013136.cif $ #-------------------------------------------------------------------...

2,013,137

8.609

0.0008

13.0658

0.0012

7.2047

0.0007

90

null

115.418

0.002

90

null

731.96

0.12

292

2

292

2

null

4

C 1 2/m 1

-C 2y

12

celsian

Barium aluminium silicate

- Al1.6 Ba0.8 O8 Si2.4 -

- Al1.5952 Ba0.7976 O8 Si2.4048 -

- Al6.3808 Ba3.1904 O32 Si9.6192 -

4

0.5

FG1678

Skellern, Matthew G.; Howie, R. Alan; Lachowski, Eric E.; Skakle, Janet M. S.

Barium-deficient celsian, Ba~1{-~x}Al~2{-~2x}Si~2+2x~O~8~ (x = 0.20 or 0.06)

Acta Crystallographica Section C

2,003

59

2

i11

i14

10.1107/S0108270102023053

0.71073

MoKα

0.026

0.022

null

0.055

0.056

null

1.073

null

has coordinates,has Fobs

Skellern, Matthew G.; Howie, R. Alan; Lachowski, Eric E.; Skakle, Janet M. S. Barium-deficient celsian, Ba~1{-~x}Al~2{-~2x}Si~2+2x~O~8~ (x = 0.20 or 0.06) Acta Crystallographica Section C 59(2) (2003) i11-i14

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/2/01/31/2013137.cif $ #-------------------------------------------------------------------...

2,013,138

8.633

0.006

13.063

0.008

7.214

0.005

90

null

115.17

0.05

90

null

736.3

0.9

298

2

298

2

null

4

C 1 2/m 1

-C 2y

12

celsian

Barium aluminium silicate

- Al1.88 Ba0.94 O8 Si2.12 -

- Al1.876 Ba0.938 O8 Si2.124 -

- Al7.504 Ba3.752 O32 Si8.496 -

4

0.5

FG1678

Skellern, Matthew G.; Howie, R. Alan; Lachowski, Eric E.; Skakle, Janet M. S.

Barium-deficient celsian, Ba~1{-~x}Al~2{-~2x}Si~2+2x~O~8~ (x = 0.20 or 0.06)

Acta Crystallographica Section C

2,003

59

2

i11

i14

10.1107/S0108270102023053

0.71073

MoKα

0.032

null

0.095

null

1.364

null

has coordinates,has Fobs

Skellern, Matthew G.; Howie, R. Alan; Lachowski, Eric E.; Skakle, Janet M. S. Barium-deficient celsian, Ba~1{-~x}Al~2{-~2x}Si~2+2x~O~8~ (x = 0.20 or 0.06) Acta Crystallographica Section C 59(2) (2003) i11-i14

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/2/01/31/2013138.cif $ #-------------------------------------------------------------------...

2,013,139

16.9558

0.0003

18.1603

0.0002

22.2255

0.0001

90

null

90

null

90

null

6,843.73

0.15

293

2

293

2

null

5

P b c a

-P 2ac 2ab

61

[μ-o-Phenylenebis(diphenylphosphine)-κ^2^P:P']bis[chlorogold(I)]

- C30 H24 Au2 Cl2 P2 -

- C240 H192 Au16 Cl16 P16 -

8

1

FG1679

Mohamed, Ahmed A.; Krause Bauer, Jeanette A.; Bruce, Alice E.; Bruce, Mitchell R. M.

[μ-o-Phenylenebis(diphenylphosphine)-κ^2^P:P']bis[chlorogold(I)], dppbz(AuCl)~2~

Acta Crystallographica Section C

2,003

59

3

m84

m86

10.1107/S0108270103002154

0.71073

MoKα

0.089

0.043

null

0.066

0.076

null

1.048

null

has coordinates,has Fobs

Mohamed, Ahmed A.; Krause Bauer, Jeanette A.; Bruce, Alice E.; Bruce, Mitchell R. M. [μ-o-Phenylenebis(diphenylphosphine)-κ^2^P:P']bis[chlorogold(I)], dppbz(AuCl)~2~ Acta Crystallographica Section C 59(3) (2003) m84-m86

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/2/01/31/2013139.cif $ #-------------------------------------------------------------------...

2,013,140

13.4882

0.0015

12.2569

0.0013

19.6281

0.0018

90

null

94.113

0.012

90

null

3,236.6

0.6

293

2

293

2

null

7

P 1 21/c 1

-P 2ybc

14

μ~3~-oxo-oxopenta-μ-phosphato-diboron vanadium bis(1,4-diazonia[2.2.2]octane) monohydrate phosphoric acid solvate

- C12 H38 B2 N4 O27 P6 V -

- C48 H152 B8 N16 O108 P24 V4 -

4

1

FG1684

Wikstad, Emma; Kritikos, Mikael

(C~6~H~14~N~2~)~2~[VO(HPO~4~)~5~B~2~O]·H~2~O·H~3~PO~4~, a novel borophosphate cluster containing a single vanadium centre and linked by hydrogen bonds into a three-dimensional framework

Acta Crystallographica Section C

2,003

59

3

m87

m89

10.1107/S0108270103002683

0.71073

MoKα

0.051

0.037

null

0.098

0.113

null

1.102

null

has coordinates,has Fobs

Wikstad, Emma; Kritikos, Mikael (C~6~H~14~N~2~)~2~[VO(HPO~4~)~5~B~2~O]·H~2~O·H~3~PO~4~, a novel borophosphate cluster containing a single vanadium centre and linked by hydrogen bonds into a three-dimensional framework Acta Crystallographica Section C 59(3) (2003) m87-m89

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$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/2/01/31/2013140.cif $ #-------------------------------------------------------------------...

2,013,141

6.323

0.003

14.575

0.004

19.776

0.004

69.53

0.03

81.2

0.04

79.14

0.04

1,669.3

1

173

2

173

2

null

2

P -1

-P 1

2

- C47 H32 -

- C94 H64 -

2

1

FR1389

Perera, K. Prasanna U.; Abboud, Khalil A.; Smith Jr, Dennis W.; Krawiec, Mariusz

Three bis-ortho-diynylarenes (BODA)

Acta Crystallographica Section C

2,003

59

3

o107

o110

10.1107/S0108270102023594

0.71073

MoKα

0.1326

0.0642

null

0.1231

0.1498

null

1.02

null

has coordinates

Perera, K. Prasanna U.; Abboud, Khalil A.; Smith Jr, Dennis W.; Krawiec, Mariusz Three bis-ortho-diynylarenes (BODA) Acta Crystallographica Section C 59(3) (2003) o107-o110

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$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/2/01/31/2013141.cif $ #-------------------------------------------------------------------...

2,013,142

13.299

0.007

5.229

0.003

21.196

0.011

90

null

92.54

0.015

90

null

1,472.5

1.4

300

2

300

2

null

2

P 1 21/c 1

-P 2ybc

14

- C44 H26 -

- C88 H52 -

2

0.5

FR1389

Perera, K. Prasanna U.; Abboud, Khalil A.; Smith Jr, Dennis W.; Krawiec, Mariusz

Three bis-ortho-diynylarenes (BODA)

Acta Crystallographica Section C

2,003

59

3

o107

o110

10.1107/S0108270102023594

0.71069

MoKα

0.178

0.0788

null

0.1353

0.1821

null

1.149

null

has coordinates

Perera, K. Prasanna U.; Abboud, Khalil A.; Smith Jr, Dennis W.; Krawiec, Mariusz Three bis-ortho-diynylarenes (BODA) Acta Crystallographica Section C 59(3) (2003) o107-o110

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$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/2/01/31/2013142.cif $ #-------------------------------------------------------------------...

2,013,143

35.483

0.01

5.8875

0.0015

15.919

0.005

90

null

109.932

0.006

90

null

3,126.4

1.5

300

2

300

2

null

3

C 1 2/c 1

-C 2yc

15

- C44 H26 O -

- C176 H104 O4 -

4

0.5

FR1389

Perera, K. Prasanna U.; Abboud, Khalil A.; Smith Jr, Dennis W.; Krawiec, Mariusz

Three bis-ortho-diynylarenes (BODA)

Acta Crystallographica Section C

2,003

59

3

o107

o110

10.1107/S0108270102023594

0.71069

MoKα

0.1277

0.0648

null

0.145

0.184

null

1.153

null

has coordinates

Perera, K. Prasanna U.; Abboud, Khalil A.; Smith Jr, Dennis W.; Krawiec, Mariusz Three bis-ortho-diynylarenes (BODA) Acta Crystallographica Section C 59(3) (2003) o107-o110

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$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/2/01/31/2013143.cif $ #-------------------------------------------------------------------...

2,013,144

12.697

0.003

12.24

0.005

11.509

0.004

90

null

106.79

0.02

90

null

1,712.4

1

296

2

296

2

null

3

P 1 21/c 1

-P 2ybc

14

2,8-Dioxatricyclo[3.3.3.0^1,5^]undecane-3,7-dione

- C9 H10 O4 -

- C72 H80 O32 -

8

2

FR1401

Tsao, Jonglin F.; Faruqi, Sana R.; Thompson, Hugh W.; Lalancette, Roger A.

Two new heterocyclic [3.3.3.0^1,5^]-propellanoid compounds: 2,8-dioxatricyclo[3.3.3.0^1,5^]undecane-3,7-dione and a related dimer

Acta Crystallographica Section C

2,003

59

2

o57

o59

10.1107/S0108270102022369

0.71073

MoKα

0.091

0.055

null

0.137

0.158

null

1.04

null

has coordinates,has disorder,has Fobs

Tsao, Jonglin F.; Faruqi, Sana R.; Thompson, Hugh W.; Lalancette, Roger A. Two new heterocyclic [3.3.3.0^1,5^]-propellanoid compounds: 2,8-dioxatricyclo[3.3.3.0^1,5^]undecane-3,7-dione and a related dimer Acta Crystallographica Section C 59(2) (2003) o57-o59

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$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/2/01/31/2013144.cif $ #-------------------------------------------------------------------...

2,013,145

11.571

0.005

27.069

0.01

10.754

0.005

90

null

90

null

90

null

3,368

2

296

2

296

2

null

3

F d d 2

F 2 -2d

43

7,7'-Oxybis(2,8-dioxatricyclo[3.3.3.0^1,5^]undecan-3-one)

- C18 H22 O7 -

- C144 H176 O56 -

8

0.5

FR1401

Tsao, Jonglin F.; Faruqi, Sana R.; Thompson, Hugh W.; Lalancette, Roger A.

Two new heterocyclic [3.3.3.0^1,5^]-propellanoid compounds: 2,8-dioxatricyclo[3.3.3.0^1,5^]undecane-3,7-dione and a related dimer

Acta Crystallographica Section C

2,003

59

2

o57

o59

10.1107/S0108270102022369

0.71073

MoKα

0.105

0.05

null

0.07

0.082

null

1

null

has coordinates,has Fobs

Tsao, Jonglin F.; Faruqi, Sana R.; Thompson, Hugh W.; Lalancette, Roger A. Two new heterocyclic [3.3.3.0^1,5^]-propellanoid compounds: 2,8-dioxatricyclo[3.3.3.0^1,5^]undecane-3,7-dione and a related dimer Acta Crystallographica Section C 59(2) (2003) o57-o59

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$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/2/01/31/2013145.cif $ #-------------------------------------------------------------------...

2,013,146

12.334

0.002

12.765

0.002

12.832

0.002

84.32

0.02

66.41

0.02

71.1

0.02

1,750.6

0.6

293

1

293

1

null

7

P -1

-P 1

2

Dichloro[2,2'-(5,9-dithia-2,12-diazoniatrideca-1,12-diene-1,13- diyl)dinaphthalenolato-κ^2^O,O']dimethyltin(IV) acetonitrile solvate

- C33 H39 Cl2 N3 O2 S2 Sn -

- C33 H38.412 Cl2 N3 O2 S2 Sn -

- C66 H76.824 Cl4 N6 O4 S4 Sn2 -

2

1

FR1402

Bajue, Stanley A.; Gumbs, Shellie; Jones, Lauren; Bramwell, Fitzgerald B.; Patrick, Brian O.; Selegue, John P.; Brock, Carolyn Pratt

Dichloro[1,1'-(5,9-dithia-2,12-diazoniatrideca-1,12-diene-1,13-diyl)dinaphthalen-2-olato-κ^2^O,O']dimethyltin(IV) acetonitrile solvate

Acta Crystallographica Section C

2,003

59

1

m10

m12

10.1107/S0108270102021091

0.7107

MoKα

0.037

0.03

null

0.073

0.077

null

1.06

null

has coordinates,has disorder,has Fobs

Bajue, Stanley A.; Gumbs, Shellie; Jones, Lauren; Bramwell, Fitzgerald B.; Patrick, Brian O.; Selegue, John P.; Brock, Carolyn Pratt Dichloro[1,1'-(5,9-dithia-2,12-diazoniatrideca-1,12-diene-1,13-diyl)dinaphthalen-2-olato-κ^2^O,O']dimethyltin(IV) acetonitrile solvate Acta Crystallographica Section C 59(1)...

176,435

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/31/2013146.cif $ #-------------------------------------------------------------------...

2,013,147

12.2129

0.0017

11.5137

0.0016

15.456

0.002

90

null

90

null

90

null

2,173.4

0.5

208

2

208

2

null

4

P b c a

-P 2ac 2ab

61

2-aminopyridinium benzoate

- C12 H12 N2 O2 -

- C96 H96 N16 O16 -

8

1

FR1405

Odabas̨oǧlu, Mustafa; Büyükgüngör, Orhan; Lönnecke, Peter

2-Aminopyridinium benzoate

Acta Crystallographica Section C

2,003

59

1

o51

o52

10.1107/S0108270102022333

0.71073

MoKα

0.065

0.036

null

0.083

0.088

null

0.892

null

has coordinates,has Fobs

Odabas̨oǧlu, Mustafa; Büyükgüngör, Orhan; Lönnecke, Peter 2-Aminopyridinium benzoate Acta Crystallographica Section C 59(1) (2003) o51-o52

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$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/2/01/31/2013147.cif $ #-------------------------------------------------------------------...

2,013,148

6.617

0.001

7.316

0.001

10.421

0.002

71.47

0.01

73.44

0.02

77.29

0.01

453.81

0.14

296

2

296

2

null

3

P -1

-P 1

2

9-oxobicyclo[3.3.1]nonane-3α-carboxylic acid

- C10 H14 O3 -

- C20 H28 O6 -

2

1

FR1406

Papadakis, Markos M.; Pavon, Jorge A.; Lalancette, Roger A.; Thompson, Hugh W.

The epimeric 9-oxobicyclo[3.3.1]nonane-3-carboxylic acids: hydrogen-bonding patterns of the endo acid and the lactol of the exo acid

Acta Crystallographica Section C

2,003

59

3

o167

o170

10.1107/S0108270103001495

0.71073

MoKα

0.067

0.042

null

0.095

0.108

null

1.04

null

has coordinates,has Fobs

Papadakis, Markos M.; Pavon, Jorge A.; Lalancette, Roger A.; Thompson, Hugh W. The epimeric 9-oxobicyclo[3.3.1]nonane-3-carboxylic acids: hydrogen-bonding patterns of the endo acid and the lactol of the exo acid Acta Crystallographica Section C 59(3) (2003) o167-o170

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$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/2/01/31/2013148.cif $ #-------------------------------------------------------------------...

2,013,149

7.331

0.004

9.288

0.007

12.669

0.007

90

null

92.64

0.02

90

null

861.7

0.9

296

2

296

2

null

3

P 1 21/c 1

-P 2ybc

14

9-oxobicyclo[3.3.1]nonane-3β-carboxylic acid lactol

8-hydroxy-9-oxatricyclo[5.3.1.0^3,8^]undecan-10-one'

- C10 H14 O3 -

- C40 H56 O12 -

4

1

FR1406

Papadakis, Markos M.; Pavon, Jorge A.; Lalancette, Roger A.; Thompson, Hugh W.

The epimeric 9-oxobicyclo[3.3.1]nonane-3-carboxylic acids: hydrogen-bonding patterns of the endo acid and the lactol of the exo acid

Acta Crystallographica Section C

2,003

59

3

o167

o170

10.1107/S0108270103001495

0.71073

MoKα

0.043

0.033

null

0.079

0.084

null

1.03

null

has coordinates,has Fobs

Papadakis, Markos M.; Pavon, Jorge A.; Lalancette, Roger A.; Thompson, Hugh W. The epimeric 9-oxobicyclo[3.3.1]nonane-3-carboxylic acids: hydrogen-bonding patterns of the endo acid and the lactol of the exo acid Acta Crystallographica Section C 59(3) (2003) o167-o170

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$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/2/01/31/2013149.cif $ #-------------------------------------------------------------------...

2,013,150

13.29

0.003

6.825

0.003

14.3316

0.0018

90

null

92.596

0.015

90

null

1,298.6

0.7

298

2

298

2

null

4

P 1 21/c 1

-P 2ybc

14

- C13 H10 N4 O4 -

- C52 H40 N16 O16 -

4

1

FR1407

Shang Shan; Duan-Jun Xu; Chen-Hsiung Hung; Jing-Yun Wu; Michael Y. Chiang

Benzaldehyde 2,4-dinitrophenylhydrazone

Acta Crystallographica Section C

2,003

59

3

o135

o136

10.1107/S0108270103002464

0.71069

MoKα

0.112

0.04

null

0.111

0.141

null

1.002

null

has coordinates,has Fobs

Shang Shan; Duan-Jun Xu; Chen-Hsiung Hung; Jing-Yun Wu; Michael Y. Chiang Benzaldehyde 2,4-dinitrophenylhydrazone Acta Crystallographica Section C 59(3) (2003) o135-o136

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$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/2/01/31/2013150.cif $ #-------------------------------------------------------------------...

2,013,151

21.756

0.005

23.531

0.005

5.628

0.0011

90

null

90

null

90

null

2,881.2

1.1

153

2

153

2

null

4

F d d 2

F 2 -2d

43

Bis(2-aminopyridinium) maleate

- C14 H16 N4 O4 -

- C112 H128 N32 O32 -

8

0.5

FR1408

Büyükgüngör, Orhan; Odabas̨oǧlu, Mustafa

Bis(2-aminopyridinium) maleate

Acta Crystallographica Section C

2,003

59

3

o105

o106

10.1107/S0108270103001586

0.71073

MoKα

0.029

0.026

null

0.069

0.072

null

1.046

null

has coordinates,has Fobs

Büyükgüngör, Orhan; Odabas̨oǧlu, Mustafa Bis(2-aminopyridinium) maleate Acta Crystallographica Section C 59(3) (2003) o105-o106

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$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/2/01/31/2013151.cif $ #-------------------------------------------------------------------...

2,013,152

8.928

0.002

18.596

0.004

10.015

0.002

90

null

99.822

0.006

90

null

1,638.4

0.6

298

2

293

2

null

4

P 1 21/c 1

-P 2ybc

14

1,2,4,5-tetrakis(2'-vinylpyridyl)benzene-dichloromethane (1:2)

- C36 H30 Cl4 N4 -

- C72 H60 Cl8 N8 -

2

0.5

GA1001

Holmes, Brian T.; Padgett, Clifford W.; Pennington, William T.

1,2,4,5-Tetrakis(2-vinylpyridyl)benzene–dichloromethane (1/2)

Acta Crystallographica Section C

2,003

59

3

o114

o116

10.1107/S0108270103001276

0.71073

MoKα

0.1096

0.0653

null

0.1187

0.1369

null

0.987

null

has coordinates,has Fobs

Holmes, Brian T.; Padgett, Clifford W.; Pennington, William T. 1,2,4,5-Tetrakis(2-vinylpyridyl)benzene–dichloromethane (1/2) Acta Crystallographica Section C 59(3) (2003) o114-o116

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$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/2/01/31/2013152.cif $ #-------------------------------------------------------------------...

2,013,153

7.132

0.001

10.375

0.001

11.1

0.001

90

null

91.35

0.01

90

null

821.11

0.16

296

2

296

2

null

4

P 1 21/n 1

-P 2yn

14

catena-poly[[[diaquazinc(II)]-μ-oxydiacetato]hydrate]

- C4 H10 O8 Zn -

- C16 H40 O32 Zn4 -

4

1

GA1002

Baggio, Ricardo; Garland, María Teresa; Perec, Mireille

A new polymeric phase of zinc(II) oxydiacetate

Acta Crystallographica Section C

2,003

59

1

m30

m32

10.1107/S0108270102021959

0.71073

MoKα

0.029

0.025

null

0.062

0.064

null

1.093

null

has coordinates,has Fobs

Baggio, Ricardo; Garland, María Teresa; Perec, Mireille A new polymeric phase of zinc(II) oxydiacetate Acta Crystallographica Section C 59(1) (2003) m30-m32

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/2/01/31/2013153.cif $ #-------------------------------------------------------------------...

2,013,154

5.858

0.002

8.232

0.002

19.241

0.006

90

null

91.315

0.01

90

null

927.6

0.5

100

null

100

null

3

P 1 21 1

P 2yb

4

sarcophine 13

2(R)-[(1E,3E,7S,8S,11E,13R)-13-hydroxy-4,8,12-trimethyl- 7,8-epoxycyclotetradeca-1,3,11-trien-1-yl]propane-1,2-diol

- C20 H32 O4 -

- C40 H64 O8 -

2

1

GA1004

Fahmy, Hesham; Zjawiony, Jordan K.; Khalifa, Sherief; Fronczek, Frank R.

A semi-synthetic analog of the cembranoid sarcophine

Acta Crystallographica Section C

2,003

59

2

o85

o87

10.1107/S0108270103001288

0.71073

MoKα

0.042

0.036

null

0.085

0.089

null

1.043

null

has coordinates,has Fobs

Fahmy, Hesham; Zjawiony, Jordan K.; Khalifa, Sherief; Fronczek, Frank R. A semi-synthetic analog of the cembranoid sarcophine Acta Crystallographica Section C 59(2) (2003) o85-o87

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$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/2/01/31/2013154.cif $ #-------------------------------------------------------------------...

2,013,155

5.0733

0.001

18.465

0.004

10.029

0.002

90

null

115.12

0.03

90

null

850.6

0.4

185

2

null

6

P 1 21/c 1

-P 2ybc

14

- C5 H6 Br N O4 S -

- C20 H24 Br4 N4 O16 S4 -

4

1

GA1005

Strauss, Laura H.; Abzianidze, Victoria V.; Berestovitskaya, Valentina M.; Efremova, Irina E.

5-Bromo-2,3-dihydro-4-methyl-3-nitrothiophene 1,1-dioxide

Acta Crystallographica Section C

2,003

59

3

o177

o178

10.1107/S0108270103000842

0.71073

MoKα

0.044

0.031

null

0.068

0.073

null

1.067

null

has coordinates,has Fobs

Strauss, Laura H.; Abzianidze, Victoria V.; Berestovitskaya, Valentina M.; Efremova, Irina E. 5-Bromo-2,3-dihydro-4-methyl-3-nitrothiophene 1,1-dioxide Acta Crystallographica Section C 59(3) (2003) o177-o178

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$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/2/01/31/2013155.cif $ #-------------------------------------------------------------------...

2,013,156

12.081

0.002

12.6

0.002

13.95

0.003

82.32

0.03

71.63

0.03

83.05

0.03

1,990.2

0.7

293

2

293

2

null

5

P -1

-P 1

2

Arsenic phthalocyanine‒arsenic iodide'

Bis{[phthalocyaninato(2-)]arsenic(III)} tetradecaiodotetraarsenic(III)

- C64 H32 As6 I14 N16 -

1

0.5

GD1232

Janczak, Jan; Kubiak, Ryszard

Bis{[phthalocyaninato(2‒)]arsenic(III)} tetradecaiodotetraarsenic(III)

Acta Crystallographica Section C

2,003

59

2

m70

m72

10.1107/S0108270102020759

0.71073

MoKα

0.04

0.027

null

0.053

0.057

null

1.001

null

has coordinates,has Fobs

Janczak, Jan; Kubiak, Ryszard Bis{[phthalocyaninato(2‒)]arsenic(III)} tetradecaiodotetraarsenic(III) Acta Crystallographica Section C 59(2) (2003) m70-m72

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/2/01/31/2013156.cif $ #-------------------------------------------------------------------...

2,013,157

9.3867

0.0003

16.5328

0.0005

11.3189

0.0003

90

null

118.118

0.002

90

null

1,549.25

0.08

120

1

120

1

null

5

P 1 21/c 1

-P 2ybc

14

2-Amino-4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro- 4H-chromene-3-carbonitrile

- C18 H17 Cl N2 O2 -

- C72 H68 Cl4 N8 O8 -

4

1

GD1236

Low, John N.; Cobo, Justo; Nogueras, Manuel; Sánchez, Adolfo; Quiroga, Jairo; Cisneros, Carlos

2-Amino-4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile

Acta Crystallographica Section C

2,003

59

1

o38

o39

10.1107/S0108270102021881

0.71073

MoKα

0.091

0.047

null

0.103

0.13

null

1.019

null

has coordinates,has Fobs

Low, John N.; Cobo, Justo; Nogueras, Manuel; Sánchez, Adolfo; Quiroga, Jairo; Cisneros, Carlos 2-Amino-4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile Acta Crystallographica Section C 59(1) (2003) o38-o39

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$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/2/01/31/2013157.cif $ #-------------------------------------------------------------------...

2,013,158

15.6382

0.0012

8.8403

0.0007

29.595

0.002

90

null

103.672

0.002

90

null

3,975.5

0.5

150

2

150

2

null

7

P 1 21/c 1

-P 2ybc

14

- C24 H58 Cl3 Li N10 O15 Zn2 -

- C96 H232 Cl12 Li4 N40 O60 Zn8 -

4

1

GD1237

Blake, Alexander J.; Tei, Lorenzo; Schröder, Martin; Wilson, Claire

A zinc‒lithium complex of 4,7-bis(2-aminoethyl)-1,4,7-triazacyclononane-1-acetate

Acta Crystallographica Section C

2,003

59

2

m43

m45

10.1107/S0108270102021947

0.71073

MoKα

0.1215

0.0575

null

0.117

0.1389

null

1.003

null

has coordinates,has disorder,has Fobs

Blake, Alexander J.; Tei, Lorenzo; Schröder, Martin; Wilson, Claire A zinc‒lithium complex of 4,7-bis(2-aminoethyl)-1,4,7-triazacyclononane-1-acetate Acta Crystallographica Section C 59(2) (2003) m43-m45

194,538

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-03-27 08:13:23 +0300 (Mon, 27 Mar 2017) $ #$Revision: 194538 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/31/2013158.cif $ #-------------------------------------------------------------------...

2,013,159

7.9563

0.0005

16.3464

0.0011

12.0088

0.001

90

null

94.128

0.005

90

null

1,557.78

0.19

294

1

294

1

null

4

P 1 21/c 1

-P 2ybc

14

Ethyl 4-ferrocenylbenzoate

- C19 H18 Fe O2 -

- C76 H72 Fe4 O8 -

4

1

GD1238

Anderson, Frankie P.; Gallagher, John F.; Kenny, Peter T. M.; Ryan, Clodagh; Savage, David

Ethyl and isopropyl 4-ferrocenylbenzoate

Acta Crystallographica Section C

2,003

59

1

m13

m15

10.1107/S0108270102021819

0.71073

MoKα

0.034

0.028

null

0.075

0.079

null

1.047

null

has coordinates,has Fobs

Anderson, Frankie P.; Gallagher, John F.; Kenny, Peter T. M.; Ryan, Clodagh; Savage, David Ethyl and isopropyl 4-ferrocenylbenzoate Acta Crystallographica Section C 59(1) (2003) m13-m15

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/2/01/31/2013159.cif $ #-------------------------------------------------------------------...