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

2,013,560

21.203

0.004

7.468

0.002

22.123

0.005

90

null

108.947

0.015

90

null

3,313.2

1.4

293

2

293

2

null

6

C 1 2/c 1

-C 2yc

15

Bis(μ-di-2-pyridylamine 1-oxide)bis[(trifluoroacetato)copper(II)] acetonitrile disolvate

- C28 H22 Cu2 F6 N8 O6 -

- C112 H88 Cu8 F24 N32 O24 -

4

0.5

DE1219

Zeng, Xi-Rui; Fang, Xiao-Niu; Peng, Shie-Ming; Lin, Hsiu-Mei

Bis(μ-di-2-pyridylaminato 1-oxide)bis[(trifluoroacetato)copper(II)] acetonitrile disolvate

Acta Crystallographica Section C

2,003

59

11

m497

m498

10.1107/S010827010302064X

0.71073

MoKα

0.0605

0.0327

null

0.084

0.0951

null

1.022

null

has coordinates

Zeng, Xi-Rui; Fang, Xiao-Niu; Peng, Shie-Ming; Lin, Hsiu-Mei Bis(μ-di-2-pyridylaminato 1-oxide)bis[(trifluoroacetato)copper(II)] acetonitrile disolvate Acta Crystallographica Section C 59(11) (2003) m497-m498

301,798

2025-08-19

6:42:14

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2,013,561

5.909

0.002

9.706

0.003

13.184

0.005

102.02

0.03

94.39

0.03

106.39

0.03

702.1

0.4

293

2

293

2

null

4

P -1

-P 1

2

2,6-Diphenylthiapyran-4-one

- C17 H16 O S -

- C34 H32 O2 S2 -

2

1

DE1222

Narasimhamurthy, T.; Benny, J. C. N.; Pandiarajan, K.; Rathore, Ravindranath S.

Herring-bone π–π interactions in trans-2,6-diphenyl-2,3,5,6-tetrahydrothiapyran-4-one

Acta Crystallographica Section C

2,003

59

11

o620

o621

10.1107/S0108270103019577

1.5418

CuKα

0.059

0.057

null

0.16

null

1.234

null

has coordinates,has Fobs

Narasimhamurthy, T.; Benny, J. C. N.; Pandiarajan, K.; Rathore, Ravindranath S. Herring-bone π–π interactions in trans-2,6-diphenyl-2,3,5,6-tetrahydrothiapyran-4-one Acta Crystallographica Section C 59(11) (2003) o620-o621

301,798

2025-08-19

6:42:14

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2,013,562

22.826

0.007

6.971

0.002

16.593

0.005

90

null

90

null

90

null

2,640.3

1.4

293

2

293

2

null

7

P n m a

-P 2ac 2n

62

Chlorobis[N'-ethoxycarbonyl-N-(4-methylphenyl)thiourea-κS]copper(I)

- C22 H28 Cl Cu N4 O4 S2 -

- C88 H112 Cl4 Cu4 N16 O16 S8 -

4

0.5

DE1224

Zhang, You-Ming; Xian, Liang; Wei, Tai-Bao

Chlorobis[N'-ethoxycarbonyl-N-(4-methylphenyl)thiourea-κS]copper(I)

Acta Crystallographica Section C

2,003

59

11

m473

m474

10.1107/S0108270103022285

0.71073

MoKα

0.116

0.059

null

0.131

0.161

null

1.148

null

has coordinates,has Fobs

Zhang, You-Ming; Xian, Liang; Wei, Tai-Bao Chlorobis[N'-ethoxycarbonyl-N-(4-methylphenyl)thiourea-κS]copper(I) Acta Crystallographica Section C 59(11) (2003) m473-m474

176,760

2020-10-21

18:00:00

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2,013,563

6.6915

0.0017

7.1211

0.0012

18.551

0.004

90

null

90

null

90

null

884

0.3

203

2

203

2

null

6

I 21 21 21

I 2b 2c

24

μ-3,4'-Bi-1,2,4-triazole-di-μ-chloro-cuivre(II) monohydraté

- C4 H6 Cl2 Cu N6 O -

- C16 H24 Cl8 Cu4 N24 O4 -

4

0.5

DN1028

Guédira, Fouzia; Saidi Idrissi, Malika; Krautscheid, Harald; El Ammari, Lahcen

μ-3,4'-Bi-1,2,4-triazole-di-μ-chloro-cuivre(II) monohydraté

Acta Crystallographica Section C

2,003

59

12

m530

m532

10.1107/S0108270103021516

0.71073

MoKα

0.02

0.0184

null

0.0465

0.0472

null

1.094

null

has coordinates

Guédira, Fouzia; Saidi Idrissi, Malika; Krautscheid, Harald; El Ammari, Lahcen μ-3,4'-Bi-1,2,4-triazole-di-μ-chloro-cuivre(II) monohydraté Acta Crystallographica Section C 59(12) (2003) m530-m532

176,760

2020-10-21

18:00:00

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2,013,564

6.5737

0.0001

12.0671

0.0002

21.5206

0.0005

90

null

90.0815

0.0007

90

null

1,707.13

0.06

293

2

293

2

null

6

P 1 21/n 1

-P 2yn

14

aluminium piperazinium sulfate decahydrate

Hexaaquaaluminium hemi(piperidin-1,4-diium) bis(sulfate) tetrahydrate

- C4 H32 Al2 N2 O36 S4 -

- C4 H52 Al2 N2 O36 S4 -

- C8 H104 Al4 N4 O72 S8 -

2

0.5

DN1030

Bataille, Thierry

Hemi(piperazinediium) hexaaquaaluminium(III) bis(sulfate) tetrahydrate: a new double aluminium sulfate salt

Acta Crystallographica Section C

2,003

59

11

m459

m461

10.1107/S0108270103021243

0.71073

MoKα

0.0578

0.0384

null

0.0944

0.1045

null

1.066

null

has coordinates,has Fobs

Bataille, Thierry Hemi(piperazinediium) hexaaquaaluminium(III) bis(sulfate) tetrahydrate: a new double aluminium sulfate salt Acta Crystallographica Section C 59(11) (2003) m459-m461

301,798

2025-08-19

6:42:14

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2,013,565

9.1673

0.0003

9.0698

0.0002

9.8939

0.0003

90

null

93.8823

0.0017

90

null

820.75

0.04

120

2

120

2

null

4

P 1 21 1

P 2yb

4

dichloroneophylphenylstannane

Dichloro(2-methyl-2-phenylpropyl)phenylstannane

- C16 H18 Cl2 Sn -

- C32 H36 Cl4 Sn2 -

2

1

DN1033

Bomfim, Joäo A. S.; Filgueiras, Carlos A. L.; Howie, R. Alan; Skakle, Janet M. S.; Wardell, James L.

Isomorphous dichloro- and dibromo(2-methyl-2-phenylpropyl)phenylstannane, both displaying the same intramolecular π‒π interaction at 120K

Acta Crystallographica Section C

2,003

59

12

m526

m529

10.1107/S0108270103024272

0.71073

MoKα

0.0284

0.026

null

0.0615

0.0627

null

1.049

null

has coordinates,has Fobs

Bomfim, Joäo A. S.; Filgueiras, Carlos A. L.; Howie, R. Alan; Skakle, Janet M. S.; Wardell, James L. Isomorphous dichloro- and dibromo(2-methyl-2-phenylpropyl)phenylstannane, both displaying the same intramolecular π‒π interaction at 120K Acta Crystallographica Section C 59(12) (2003) m526-m529

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/2/01/35/2013565.cif $ #-------------------------------------------------------------------...

2,013,566

9.2966

0.0003

9.3763

0.0003

9.6898

0.0003

90

null

93.01

0.002

90

null

843.47

0.05

120

2

120

2

null

4

P 1 21 1

P 2yb

4

dibromoneophylphenylstannane

Dibromo(2-methyl-2-phenylpropyl)phenylstannane

- C16 H18 Br2 Sn -

- C32 H36 Br4 Sn2 -

2

1

DN1033

Bomfim, Joäo A. S.; Filgueiras, Carlos A. L.; Howie, R. Alan; Skakle, Janet M. S.; Wardell, James L.

Isomorphous dichloro- and dibromo(2-methyl-2-phenylpropyl)phenylstannane, both displaying the same intramolecular π‒π interaction at 120K

Acta Crystallographica Section C

2,003

59

12

m526

m529

10.1107/S0108270103024272

0.71073

MoKα

0.0275

0.0257

null

0.0604

0.0612

null

1.077

null

has coordinates,has Fobs

Bomfim, Joäo A. S.; Filgueiras, Carlos A. L.; Howie, R. Alan; Skakle, Janet M. S.; Wardell, James L. Isomorphous dichloro- and dibromo(2-methyl-2-phenylpropyl)phenylstannane, both displaying the same intramolecular π‒π interaction at 120K Acta Crystallographica Section C 59(12) (2003) m526-m529

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/2/01/35/2013566.cif $ #-------------------------------------------------------------------...

2,013,567

4.1614

0.001

9.391

0.002

21.571

0.003

90

null

95.02

0.01

90

null

839.8

0.3

293

2

293

2

null

5

P 1 21/c 1

-P 2ybc

14

Potassium 3-cyano-4-(dicyanomethylene)-5-oxo-4,5-dihydro-1H-pyrrol-2-olate

- C8 H K N4 O2 -

- C32 H4 K4 N16 O8 -

4

1

FA1025

Tafeenko, Viktor A.; Kaukova, Olga V.; Peschar, Rene; Petrov, Aleksandr V.; Aslanov, Leonid A.

Potassium 3-cyano-4-(dicyanomethylene)-5-oxo-4,5-dihydro-1H-pyrrol-2-olate

Acta Crystallographica Section C

2,003

59

10

m421

m423

10.1107/S0108270103020158

0.71073

MoKα

0.051

0.037

null

0.089

0.095

null

1.043

null

has coordinates,has Fobs

Tafeenko, Viktor A.; Kaukova, Olga V.; Peschar, Rene; Petrov, Aleksandr V.; Aslanov, Leonid A. Potassium 3-cyano-4-(dicyanomethylene)-5-oxo-4,5-dihydro-1H-pyrrol-2-olate Acta Crystallographica Section C 59(10) (2003) m421-m423

176,760

2020-10-21

18:00:00

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2,013,568

5.5322

0.0006

9.1505

0.0013

9.8235

0.0008

90

null

108.189

0.007

90

null

472.44

0.09

293

2

293

2

null

4

P 1 21/c 1

-P 2ybc

14

2,5-dioxopiperazine-1,4-diacetic acid

- C8 H10 N2 O6 -

- C16 H20 N4 O12 -

2

0.5

FA1026

Ramos Silva, Manuela; Matos Beja, Ana; Paixao, Jose Antonio; Sobral, Abilio J. F. N.; Cabral, Lucia M. L.; Rocha Gonsalves, A. M. dA.

R_4^4(30) rectangular rings in 2,5-dioxopiperazine-1,4-diacetic acid

Acta Crystallographica Section C

2,003

59

10

o562

o563

10.1107/S0108270103017803

0.71073

MoKα

0.0729

0.0421

null

0.1034

0.1168

null

1.051

null

has coordinates,has Fobs

Ramos Silva, Manuela; Matos Beja, Ana; Paixao, Jose Antonio; Sobral, Abilio J. F. N.; Cabral, Lucia M. L.; Rocha Gonsalves, A. M. dA. R_4^4(30) rectangular rings in 2,5-dioxopiperazine-1,4-diacetic acid Acta Crystallographica Section C 59(10) (2003) o562-o563

301,798

2025-08-19

6:42:14

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2,013,569

11.627

0.003

14.7157

0.0019

21.081

0.003

90

null

90

null

90

null

3,606.9

1.2

291

0.5

291

0.5

null

3

P 21 21 21

P 2ac 2ab

19

10,13,16,17-tetrahydroxy-9-methyl-15-oxo-20-nor-kauran-18-oic acid-γ-lactone

- C40 H58 O13 -

- C160 H232 O52 -

4

1

FA1027

Mattia, Carlo Andrea; Braca, Alessandra; De Tommasi, Nunziatina; Puliti, Raffaella

A new norkaurane-γ-lactone from Parinari sprucei

Acta Crystallographica Section C

2,003

59

11

o644

o646

10.1107/S0108270103019814

1.54178

CuKα

0.0391

0.0322

null

0.0956

0.0984

null

1.036

null

has coordinates,has disorder,has Fobs

Mattia, Carlo Andrea; Braca, Alessandra; De Tommasi, Nunziatina; Puliti, Raffaella A new norkaurane-γ-lactone from Parinari sprucei Acta Crystallographica Section C 59(11) (2003) o644-o646

301,798

2025-08-19

6:42:14

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2,013,570

26.717

0.004

7.4853

0.001

20.601

0.003

90

null

117.906

0.009

90

null

3,640.8

1

293

2

293

2

null

5

C 1 2/c 1

-C 2yc

15

catena-poly[[[acetato(1,10-phenanthroline-κ^2^N,N')copper(II)]-μ- dicyanamido-κ^2^N^1^:N^5^] trihydrate]

- C16 H17 Cu N5 O5 -

- C128 H136 Cu8 N40 O40 -

8

1

FA1028

Wu, A.-Qing; Cai, Li-Zhen; Chen, Wen-Tong; Guo, Guo-Cong; Huang, Jin-Shun

A one-dimensional copper coordination polymer containing both dicyanamide and 1,10-phenanthroline ligands

Acta Crystallographica Section C

2,003

59

11

m491

m493

10.1107/S0108270103023114

0.71073

MoKα

0.077

0.055

null

0.123

0.138

null

1.068

null

has coordinates,has Fobs

Wu, A.-Qing; Cai, Li-Zhen; Chen, Wen-Tong; Guo, Guo-Cong; Huang, Jin-Shun A one-dimensional copper coordination polymer containing both dicyanamide and 1,10-phenanthroline ligands Acta Crystallographica Section C 59(11) (2003) m491-m493

176,760

2020-10-21

18:00:00

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2,013,571

6.7333

0.0009

12.6195

0.0016

19.827

0.003

90

null

90

null

90

null

1,684.7

0.4

293

2

293

2

null

4

P b c n

-P 2n 2ab

60

2,3-Bi(2-methylphenylimino)-1,4-dithiacyclohexane

- C18 H18 N2 S2 -

- C72 H72 N8 S8 -

4

0.5

FA1032

Li, Yi-Zhi; Liu, Wei-Wei; Li, Yan-Jie; Pan, Guo-Jun; Hu, Hong-Wen

2,3-Bis(2-methylphenylimino)-1,4-dithiacyclohexane

Acta Crystallographica Section C

2,003

59

11

o611

o612

10.1107/S0108270103021000

0.71073

MoKα

0.0839

0.058

null

0.1367

0.1465

null

1.004

null

has coordinates,has Fobs

Li, Yi-Zhi; Liu, Wei-Wei; Li, Yan-Jie; Pan, Guo-Jun; Hu, Hong-Wen 2,3-Bis(2-methylphenylimino)-1,4-dithiacyclohexane Acta Crystallographica Section C 59(11) (2003) o611-o612

301,798

2025-08-19

6:42:14

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2,013,572

4.6572

0.0013

10.9765

0.0014

18.1026

0.0017

90

null

90.147

0.011

90

null

925.4

0.3

293

2

293

2

null

3

P 1 21/c 1

-P 2ybc

14

- C6 H6 S5 -

- C24 H24 S20 -

4

1

FA1033

Xue, Gang; Fang, Qi; Yu, Wentao

4,5-Propylenedithio-1,3-dithiole-2-thione and 4,5-propylenedithio-1,3-dithiol-2-one

Acta Crystallographica Section C

2,003

59

11

o653

o655

10.1107/S0108270103022662

0.71073

MoKα

0.0684

0.0364

null

0.0733

0.0931

null

1.031

null

has coordinates

Xue, Gang; Fang, Qi; Yu, Wentao 4,5-Propylenedithio-1,3-dithiole-2-thione and 4,5-propylenedithio-1,3-dithiol-2-one Acta Crystallographica Section C 59(11) (2003) o653-o655

301,798

2025-08-19

6:42:14

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2,013,573

16.358

0.004

4.5009

0.0011

13.066

0.003

90

null

108.736

0.015

90

null

911

0.4

293

2

293

2

null

4

C 1 c 1

C -2yc

9

- C6 H6 O S4 -

- C24 H24 O4 S16 -

4

1

FA1033

Xue, Gang; Fang, Qi; Yu, Wentao

4,5-Propylenedithio-1,3-dithiole-2-thione and 4,5-propylenedithio-1,3-dithiol-2-one

Acta Crystallographica Section C

2,003

59

11

o653

o655

10.1107/S0108270103022662

0.71073

MoKα

0.0594

0.044

null

0.0985

0.1067

null

1.039

null

has coordinates

Xue, Gang; Fang, Qi; Yu, Wentao 4,5-Propylenedithio-1,3-dithiole-2-thione and 4,5-propylenedithio-1,3-dithiol-2-one Acta Crystallographica Section C 59(11) (2003) o653-o655

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$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/2/01/35/2013573.cif $ #-------------------------------------------------------------------...

2,013,574

10.3902

0.0016

16.751

0.003

18.96

0.003

90

null

98.046

0.004

90

null

3,267.4

0.9

110

2

110

2

null

6

P 1 21/n 1

-P 2yn

14

di-μ-trifluoroacetato-μ~3~-oxo-bis[(2,2'-bipyridine- κ^2^N,N')(trifluoroacetato-κO)iron(III)]

- C28 H16 F12 Fe2 N4 O9 -

- C112 H64 F48 Fe8 N16 O36 -

4

1

FA1034

Bacsa, John; Zhao, Hanhua; Kim R. Dunbar

Two new soluble iron–oxo complexes: [Fe~2~(μ-O)(μ-O~2~CCF~3~)~2~(O~2~CCF~3~)~2~(C~10~H~8~N~2~)~2~] and [Fe~4~(μ~3~-O)~2~(μ-O~2~CCF~3~)~6~(O~2~CCF~3~)~2~(C~10~H~8~N~2~)~2~]·CF~3~CO~2~H

Acta Crystallographica Section C

2,003

59

12

m561

m564

10.1107/S0108270103025691

0.71073

MoKα

0.0651

0.0431

null

0.1069

0.1179

null

1.035

null

has coordinates,has disorder

Bacsa, John; Zhao, Hanhua; Kim R. Dunbar Two new soluble iron–oxo complexes: [Fe~2~(μ-O)(μ-O~2~CCF~3~)~2~(O~2~CCF~3~)~2~(C~10~H~8~N~2~)~2~] and [Fe~4~(μ~3~-O)~2~(μ-O~2~CCF~3~)~6~(O~2~CCF~3~)~2~(C~10~H~8~N~2~)~2~]·CF~3~CO~2~H Acta Crystallographica Section C 59(12) (2003) m561-m564

301,798

2025-08-19

6:42:14

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2,013,575

12.733

0.003

19.015

0.004

22.222

0.004

90

null

91.63

0.03

90

null

5,378

2

173

2

173

2

null

6

P 1 21/n 1

-P 2yn

14

bis(2,2'-bipyridine)di-μ~3~-oxo-hexa-μ-trifluoroacetato- bis(trifluoroacetato)tetrairon(III) trifluoroacetic acid solvate

- C38 H17 F27 Fe4 N4 O20 -

- C152 H68 F108 Fe16 N16 O80 -

4

1

FA1034

Bacsa, John; Zhao, Hanhua; Kim R. Dunbar

Two new soluble iron‒oxo complexes: [Fe~2~(μ-O)(μ-O~2~CCF~3~)~2~(O~2~CCF~3~)~2~(C~10~H~8~N~2~)~2~] and [Fe~4~(μ~3~-O)~2~(μ-O~2~CCF~3~)~6~(O~2~CCF~3~)~2~(C~10~H~8~N~2~)~2~]·CF~3~CO~2~H

Acta Crystallographica Section C

2,003

59

12

m561

m564

10.1107/S0108270103025691

0.71073

MoKα

0.0868

0.0603

null

0.1244

0.1356

null

1.069

null

has coordinates,has disorder

Bacsa, John; Zhao, Hanhua; Kim R. Dunbar Two new soluble iron‒oxo complexes: [Fe~2~(μ-O)(μ-O~2~CCF~3~)~2~(O~2~CCF~3~)~2~(C~10~H~8~N~2~)~2~] and [Fe~4~(μ~3~-O)~2~(μ-O~2~CCF~3~)~6~(O~2~CCF~3~)~2~(C~10~H~8~N~2~)~2~]·CF~3~CO~2~H Acta Crystallographica Section C 59(12) (2003) m561-m564

176,760

2020-10-21

18:00:00

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2,013,576

8.2493

0.0007

9.4564

0.0007

9.705

0.0008

93.221

0.005

105.342

0.005

106.191

0.006

694.2

0.1

110

2

110

2

null

3

P -1

-P 1

2

2-Amino-6-(1-imidazolylmethyl)-4-(3,5,5-trimethyl-2-pyrazolin-1-yl)- 1,3,5-triazine

- C13 H18 N8 -

- C26 H36 N16 -

2

1

FA1035

Maria Gdaniec; Franciszek Sączewski; Zdzisław Brzozowski

2-Amino-6-(1-imidazolylmethyl)-4-(3,5,5-trimethyl-2-pyrazolin-1-yl)-1,3,5-triazine and 2-amino-6-(1-benzimidazolylmethyl)-4-(3,5,5-trimethyl-2-pyrazolin-1-yl)-1,3,5-triazine hemihydrate

Acta Crystallographica Section C

2,003

59

12

o696

o699

10.1107/S0108270103025058

0.71073

MoKα

0.0392

0.0365

null

0.093

0.0961

null

1.076

null

has coordinates,has Fobs

Maria Gdaniec; Franciszek Sączewski; Zdzisław Brzozowski 2-Amino-6-(1-imidazolylmethyl)-4-(3,5,5-trimethyl-2-pyrazolin-1-yl)-1,3,5-triazine and 2-amino-6-(1-benzimidazolylmethyl)-4-(3,5,5-trimethyl-2-pyrazolin-1-yl)-1,3,5-triazine hemihydrate Acta Crystallographica Section C 59(12) (2003) o696-o699

301,798

2025-08-19

6:42:14

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2,013,577

22.503

0.0014

8.3217

0.0006

18.4269

0.0012

90

null

94.667

0.005

90

null

3,439.2

0.4

100

2

100

2

null

4

C 1 2/c 1

-C 2yc

15

2-Amino-6-(1-benzimidazolylmethyl)-4-(3,5,5-trimethyl-2-pyrazolin-1-yl)- 1,3,5-triazine hemihydrate

- C17 H21 N8 O0.5 -

- C136 H168 N64 O4 -

8

1

FA1035

Maria Gdaniec; Franciszek Sączewski; Zdzisław Brzozowski

2-Amino-6-(1-imidazolylmethyl)-4-(3,5,5-trimethyl-2-pyrazolin-1-yl)-1,3,5-triazine and 2-amino-6-(1-benzimidazolylmethyl)-4-(3,5,5-trimethyl-2-pyrazolin-1-yl)-1,3,5-triazine hemihydrate

Acta Crystallographica Section C

2,003

59

12

o696

o699

10.1107/S0108270103025058

0.71073

MoKα

0.0968

0.0449

null

0.0777

0.0928

null

0.928

null

has coordinates,has Fobs

Maria Gdaniec; Franciszek Sączewski; Zdzisław Brzozowski 2-Amino-6-(1-imidazolylmethyl)-4-(3,5,5-trimethyl-2-pyrazolin-1-yl)-1,3,5-triazine and 2-amino-6-(1-benzimidazolylmethyl)-4-(3,5,5-trimethyl-2-pyrazolin-1-yl)-1,3,5-triazine hemihydrate Acta Crystallographica Section C 59(12) (2003) o696-o699

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$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/2/01/35/2013577.cif $ #-------------------------------------------------------------------...

2,013,578

6.4917

0.0008

12.327

0.001

15.844

0.001

90

null

90

null

90

null

1,267.9

0.2

293

2

293

2

null

6

P 21 21 21

P 2ac 2ab

19

2-bromo-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

- C11 H15 B Br N O2 -

- C44 H60 B4 Br4 N4 O8 -

4

1

FG1698

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

2-Bromo-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine, a new unexpected bifunctional building block for combinatorial chemistry

Acta Crystallographica Section C

2,003

59

10

o596

o597

10.1107/S0108270103016767

0.71069

MoKα

0.154

0.062

null

0.133

0.166

null

0.966

null

has coordinates,has Fobs

Sopková-de Oliveira Santos, Jana; Bouillon, Alexandre; Lancelot, Jean-Charles; Rault, Sylvain 2-Bromo-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine, a new unexpected bifunctional building block for combinatorial chemistry Acta Crystallographica Section C 59(10) (2003) o596-o597

301,798

2025-08-19

6:42:14

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2,013,579

37.6488

0.0015

37.6488

0.0015

9.6613

0.0008

90

null

90

null

120

null

11,859.6

1.2

105

2

105

2

null

5

P 61

169

L-Methionyl-L-alanine

- C8 H16 N2 O3 S -

- C7.99157 H15.9759 N2 O3 S0.999714 -

- C335.646 H670.986 N84 O126 S41.988 -

42

7

FG1702

Görbitz, Carl Henrik

L-Methionyl-L-alanine: a dipeptide with hexagonal symmetry and Z' = 7

Acta Crystallographica Section C

2,003

59

10

o589

o592

10.1107/S0108270103019280

0.71073

MoKα

0.154

0.058

null

0.108

0.145

null

1.027

null

has coordinates,has disorder,has Fobs

Görbitz, Carl Henrik L-Methionyl-L-alanine: a dipeptide with hexagonal symmetry and Z' = 7 Acta Crystallographica Section C 59(10) (2003) o589-o592

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/2/01/35/2013579.cif $ #-------------------------------------------------------------------...

2,013,580

9.36

0.002

9.109

0.002

21.242

0.004

90

null

98.78

0.03

90

null

1,789.9

0.7

293

2

293

2

null

5

P 1 c 1

P -2yc

7

- C19 H16 N2 O4 S -

- C76 H64 N8 O16 S4 -

4

2

FG1703

Itzia I. Padilla-Martínez; Efrén V. García-Báez; Herbert Höpfl; Francisco J. I. Martínez-Martínez

2-Amino-1,3-benzothiazole–ethyl coumarin-3-carboxylate (1/1)

Acta Crystallographica Section C

2,003

59

10

o544

o546

10.1107/S0108270103017207

0.71073

MoKα

0.0763

0.0497

null

0.1174

0.1311

null

0.999

null

has coordinates,has Fobs

Itzia I. Padilla-Martínez; Efrén V. García-Báez; Herbert Höpfl; Francisco J. I. Martínez-Martínez 2-Amino-1,3-benzothiazole–ethyl coumarin-3-carboxylate (1/1) Acta Crystallographica Section C 59(10) (2003) o544-o546

301,798

2025-08-19

6:42:14

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2,013,581

15.469

0.003

20.644

0.004

7.997

0.004

90

null

90

null

90

null

2,553.8

1.5

120

2

null

3

P c c n

-P 2ab 2ac

56

N,N'-bis(pyrrol-2-ylmethylene)propane-1,2-diamine

- C13 H16 N4 -

- C104 H128 N32 -

8

1

FG1708

Munro, Orde Q.; Camp, Greville L.

Self-recognition in a flexible bis(pyrrole) Schiff base derivative: formation of a one-dimensional hydrogen-bonded polymer

Acta Crystallographica Section C

2,003

59

12

o672

o675

10.1107/S0108270103023230

0.71073

MoKα

null

0.046

null

0.123

null

1.101

null

has coordinates

Munro, Orde Q.; Camp, Greville L. Self-recognition in a flexible bis(pyrrole) Schiff base derivative: formation of a one-dimensional hydrogen-bonded polymer Acta Crystallographica Section C 59(12) (2003) o672-o675

301,798

2025-08-19

6:42:14

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2,013,582

5.055

0.0003

22.9305

0.0007

6.5918

0.0004

90

null

111.596

0.002

90

null

710.44

0.06

293

2

293

2

null

5

P 1 21/n 1

-P 2yn

14

trans-Diaquabis(imidazole-4,5-dicarboxylate-κ^2^N^3^,O)manganese(II)

- C10 H10 Mn N4 O10 -

- C20 H20 Mn2 N8 O20 -

2

0.5

FG1711

Ma, Chengbing; Chen, Feng; Chen,Changneng; Liu, Qiutian

trans-Diaquabis(1H-imidazole-4,5-dicarboxylate-κ^2^N^3^,O^4^)manganese(II)

Acta Crystallographica Section C

2,003

59

12

m516

m518

10.1107/S0108270103024338

0.71073

MoKα

null

0.0599

null

0.1403

0.1556

null

1.011

null

has coordinates,has Fobs

Ma, Chengbing; Chen, Feng; Chen,Changneng; Liu, Qiutian trans-Diaquabis(1H-imidazole-4,5-dicarboxylate-κ^2^N^3^,O^4^)manganese(II) Acta Crystallographica Section C 59(12) (2003) m516-m518

301,798

2025-08-19

6:42:14

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2,013,583

7.991

0.003

14.211

0.003

13.3274

0.0019

90

null

105.501

0.017

90

null

1,458.4

0.7

296

null

296

null

3

P 1 21/c 1

-P 2ybc

14

ap-9-(o-Methylphenyl)-9-fluorenol

- C20 H16 O -

- C80 H64 O4 -

4

1

FG1712

Meyers, Cal Y.; Robinson, Paul D.; McLean, Aaron W.

ap-9-(o-Methylphenyl)-9-fluorenol, a structure exhibiting several aryl-H···π(arene) intermolecular interactions

Acta Crystallographica Section C

2,003

59

12

o712

o714

10.1107/S0108270103023503

0.71069

MoKα

0.077

0.035

null

0.088

0.104

null

0.999

null

has coordinates,has Fobs

Meyers, Cal Y.; Robinson, Paul D.; McLean, Aaron W. ap-9-(o-Methylphenyl)-9-fluorenol, a structure exhibiting several aryl-H···π(arene) intermolecular interactions Acta Crystallographica Section C 59(12) (2003) o712-o714

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$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/2/01/35/2013583.cif $ #-------------------------------------------------------------------...

2,013,584

6.7093

0.0009

15.336

0.003

20.21

0.003

90

null

90

null

90

null

2,079.5

0.6

293

2

293

2

null

5

P 21 21 21

P 2ac 2ab

19

catena-Poly[[[(1,10-phenanthroline-κ^2^N,N')manganese(II)]-μ-L-tartrato- κ^2^O^1^:O^4^] hexahydrate]

- C16 H24 Mn N2 O12 -

- C64 H96 Mn4 N8 O48 -

4

1

FR1417

Zhang, Xiaofeng; Huang Deguang; Chen Feng; Chen,Changneng; Liu, Qiutian; Sun, Licheng

catena-Poly[[[(1,10-phenanthroline-κ^2^N,N')manganese(II)]-μ-L-tartrato-κ^4^O^1^,O^2^:O^3^,O^4^] hexahydrate]

Acta Crystallographica Section C

2,003

59

10

m402

m404

10.1107/S010827010301761X

0.71073

MoKα

0.032

0.0282

null

0.0699

0.0737

null

1.021

null

has coordinates,has Fobs

Zhang, Xiaofeng; Huang Deguang; Chen Feng; Chen,Changneng; Liu, Qiutian; Sun, Licheng catena-Poly[[[(1,10-phenanthroline-κ^2^N,N')manganese(II)]-μ-L-tartrato-κ^4^O^1^,O^2^:O^3^,O^4^] hexahydrate] Acta Crystallographica Section C 59(10) (2003) m402-m404

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/2/01/35/2013584.cif $ #-------------------------------------------------------------------...

2,013,585

10.136

0.003

14.867

0.004

10.238

0.003

90

null

111.36

0.02

90

null

1,436.8

0.7

296

2

296

2

null

3

P 1 21 1

P 2yb

4

(-)-2-(1,2,3,4,4a,5,6,7,8,8aα-decahydro-4aβ,8α-dimethyl- 7-oxo-2β-naphthyl)propionic acid

- C15 H24 O3 -

- C60 H96 O12 -

4

2

FR1424

Thompson, Hugh W.; Lalancette, Roger A.

(–)-2-(1,2,3,4,4a,5,6,7,8,8aα-Decahydro-4aβ,8α-dimethyl-7-oxo-2β-naphthyl)propionic acid: catemeric hydrogen bonding in a bicyclic sesquiterpenoid ζ-keto acid

Acta Crystallographica Section C

2,003

59

10

o580

o582

10.1107/S0108270103018997

0.71073

MoKα

0.117

0.055

null

0.097

0.12

null

1.05

null

has coordinates,has Fobs

Thompson, Hugh W.; Lalancette, Roger A. (–)-2-(1,2,3,4,4a,5,6,7,8,8aα-Decahydro-4aβ,8α-dimethyl-7-oxo-2β-naphthyl)propionic acid: catemeric hydrogen bonding in a bicyclic sesquiterpenoid ζ-keto acid Acta Crystallographica Section C 59(10) (2003) o580-o582

301,798

2025-08-19

6:42:14

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2,013,586

6.1191

0.0018

7.168

0.002

33.449

0.01

90

null

91.408

0.009

90

null

1,466.7

0.7

110

2

110

2

null

4

P 1 21/n 1

-P 2yn

14

- C17 H17 N3 O2 -

- C68 H68 N12 O8 -

4

1

FR1427

Nesterov, Volodymyr V.; Suina, Andrea; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.; Barlow, Stephen; Marder, Seth R.

N,N-Dimethyl-N'-[(1E,2E)-3-(4-nitrophenyl)prop-2-enylidene]benzene-1,4-diamine and N,N-dimethyl-4-[(1E,3E)-4-(4-nitrophenyl)buta-1,3-dienyl]-1-naphthylamine

Acta Crystallographica Section C

2,003

59

11

o625

o628

10.1107/S0108270103020985

0.71073

MoKα

0.081

0.0585

null

0.1332

0.1452

null

1.017

null

has coordinates,has Fobs

Nesterov, Volodymyr V.; Suina, Andrea; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.; Barlow, Stephen; Marder, Seth R. N,N-Dimethyl-N'-[(1E,2E)-3-(4-nitrophenyl)prop-2-enylidene]benzene-1,4-diamine and N,N-dimethyl-4-[(1E,3E)-4-(4-nitrophenyl)buta-1,3-dienyl]...

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$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/2/01/35/2013586.cif $ #-------------------------------------------------------------------...

2,013,587

6.7383

0.001

10.3948

0.0016

12.8735

0.0019

79.933

0.008

81.754

0.008

84.103

0.008

875.8

0.2

110

2

110

2

null

4

P -1

-P 1

2

- C22 H20 N2 O2 -

- C44 H40 N4 O4 -

2

1

FR1427

Nesterov, Volodymyr V.; Suina, Andrea; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.; Barlow, Stephen; Marder, Seth R.

N,N-Dimethyl-N'-[(1E,2E)-3-(4-nitrophenyl)prop-2-enylidene]benzene-1,4-diamine and N,N-dimethyl-4-[(1E,3E)-4-(4-nitrophenyl)buta-1,3-dienyl]-1-naphthylamine

Acta Crystallographica Section C

2,003

59

11

o625

o628

10.1107/S0108270103020985

0.71073

MoKα

0.0874

0.0685

null

0.1706

0.187

null

1.031

null

has coordinates,has Fobs

Nesterov, Volodymyr V.; Suina, Andrea; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.; Barlow, Stephen; Marder, Seth R. N,N-Dimethyl-N'-[(1E,2E)-3-(4-nitrophenyl)prop-2-enylidene]benzene-1,4-diamine and N,N-dimethyl-4-[(1E,3E)-4-(4-nitrophenyl)buta-1,3-dienyl]...

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$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/2/01/35/2013587.cif $ #-------------------------------------------------------------------...

2,013,588

11.9528

0.0013

8.091

0.0005

12.4205

0.0014

90

null

108.268

0.009

90

null

1,140.6

0.2

293

2

293

2

null

4

P 1 21/c 1

-P 2ybc

14

2-[(2-Hydroxy-4-Nitrophenyl)aminomethylene]cyclohexa-3,5-dien-1(2H)-one

- C13 H10 N2 O4 -

- C52 H40 N8 O16 -

4

1

FR1431

Ersanlı, Cem Cüneyt; Albayrak, Çiǧdem; Odabas̨oǧlu, Mustafa; Erdönmez, Ahmet

2-[(2-Hydroxy-4-nitrophenyl)aminomethylene]cyclohexa-3,5-dien-1(2H)-one

Acta Crystallographica Section C

2,003

59

10

o601

o602

10.1107/S0108270103018456

0.71073

MoKα

0.0472

0.0383

null

0.1048

0.1083

null

1.037

null

has coordinates,has Fobs

Ersanlı, Cem Cüneyt; Albayrak, Çiǧdem; Odabas̨oǧlu, Mustafa; Erdönmez, Ahmet 2-[(2-Hydroxy-4-nitrophenyl)aminomethylene]cyclohexa-3,5-dien-1(2H)-one Acta Crystallographica Section C 59(10) (2003) o601-o602

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$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/2/01/35/2013588.cif $ #-------------------------------------------------------------------...

2,013,589

9.6807

0.0017

11.793

0.002

9.8373

0.0018

90

null

106.11

0.003

90

null

1,079

0.3

223

2

223

2

null

4

P 1 21/c 1

-P 2ybc

14

6-hydroxy-2-{[tris(hydroxymethyl)methyl]aminomethylene}cyclohexa-3,5-dien- 1(2H)-one

- C11 H15 N O5 -

- C44 H60 N4 O20 -

4

1

FR1432

Odabas̨oǧlu, Mustafa; Albayrak, Çiǧdem; Büyükgüngör, Orhan; Lönnecke, Peter

2-{[Tris(hydroxymethyl)methyl]aminomethylene}cyclohexa-3,5-dien-1(2H)-one and its 6-hydroxy and 6-methoxy derivatives

Acta Crystallographica Section C

2,003

59

11

o616

o619

10.1107/S0108270103020997

0.71073

MoKα

0.047

0.04

null

0.098

0.103

null

1.091

null

has coordinates,has Fobs

Odabas̨oǧlu, Mustafa; Albayrak, Çiǧdem; Büyükgüngör, Orhan; Lönnecke, Peter 2-{[Tris(hydroxymethyl)methyl]aminomethylene}cyclohexa-3,5-dien-1(2H)-one and its 6-hydroxy and 6-methoxy derivatives Acta Crystallographica Section C 59(11) (2003) o616-o619

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$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/2/01/35/2013589.cif $ #-------------------------------------------------------------------...

2,013,590

10.6464

0.0007

10.7749

0.0007

20.854

0.0013

90

null

90

null

90

null

2,392.2

0.3

213

2

213

2

null

4

P b c a

-P 2ac 2ab

61

6-methoxy-2-{[tris(hydroxymethyl)methyl]aminomethylene}cyclohexa-3,5-dien- 1(2H)-one

- C12 H17 N O5 -

- C96 H136 N8 O40 -

8

1

FR1432

Odabas̨oǧlu, Mustafa; Albayrak, Çiǧdem; Büyükgüngör, Orhan; Lönnecke, Peter

2-{[Tris(hydroxymethyl)methyl]aminomethylene}cyclohexa-3,5-dien-1(2H)-one and its 6-hydroxy and 6-methoxy derivatives

Acta Crystallographica Section C

2,003

59

11

o616

o619

10.1107/S0108270103020997

0.71073

MoKα

0.06

0.046

null

0.099

0.105

null

1.065

null

has coordinates,has Fobs

Odabas̨oǧlu, Mustafa; Albayrak, Çiǧdem; Büyükgüngör, Orhan; Lönnecke, Peter 2-{[Tris(hydroxymethyl)methyl]aminomethylene}cyclohexa-3,5-dien-1(2H)-one and its 6-hydroxy and 6-methoxy derivatives Acta Crystallographica Section C 59(11) (2003) o616-o619

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$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/2/01/35/2013590.cif $ #-------------------------------------------------------------------...

2,013,591

10.4437

0.0009

8.7029

0.0007

12.6147

0.0011

90

null

101.801

0.002

90

null

1,122.32

0.16

208

2

208

2

null

4

P 1 21/c 1

-P 2ybc

14

2-{[tris(hydroxymethyl)methyl]aminomethylene}cyclohexa-3,5-dien-1(2H)-one

- C11 H15 N O4 -

- C44 H60 N4 O16 -

4

1

FR1432

Odabas̨oǧlu, Mustafa; Albayrak, Çiǧdem; Büyükgüngör, Orhan; Lönnecke, Peter

2-{[Tris(hydroxymethyl)methyl]aminomethylene}cyclohexa-3,5-dien-1(2H)-one and its 6-hydroxy and 6-methoxy derivatives

Acta Crystallographica Section C

2,003

59

11

o616

o619

10.1107/S0108270103020997

0.71073

MoKα

0.057

0.044

null

0.104

0.111

null

1.095

null

has coordinates,has Fobs

Odabas̨oǧlu, Mustafa; Albayrak, Çiǧdem; Büyükgüngör, Orhan; Lönnecke, Peter 2-{[Tris(hydroxymethyl)methyl]aminomethylene}cyclohexa-3,5-dien-1(2H)-one and its 6-hydroxy and 6-methoxy derivatives Acta Crystallographica Section C 59(11) (2003) o616-o619

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$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/2/01/35/2013591.cif $ #-------------------------------------------------------------------...

2,013,592

9.2667

0.0017

12.1242

0.0015

21.099

0.019

90

null

90

null

90

null

2,371

2

298

2

298

2

null

5

P 21 21 21

P 2ac 2ab

19

catena-Poly[[tris(1H-benzimidazole-κN^3^)cobalt(II)]-μ-maleato-κ^3^O,O':O'']

- C25 H20 Co N6 O4 -

- C100 H80 Co4 N24 O16 -

4

1

FR1433

Xue, Yu-Hong; Xu, Duan-Jun; Gu, Jian-Ming

Helical catena-poly[[tris(1H-benzimidazole-κN^3^)cobalt(II)]-μ-maleato-κ^3^O,O':O'']

Acta Crystallographica Section C

2,003

59

10

m387

m389

10.1107/S0108270103017785

0.71069

MoKα

0.057

0.041

null

0.099

0.114

null

1.087

null

has coordinates,has Fobs

Xue, Yu-Hong; Xu, Duan-Jun; Gu, Jian-Ming Helical catena-poly[[tris(1H-benzimidazole-κN^3^)cobalt(II)]-μ-maleato-κ^3^O,O':O''] Acta Crystallographica Section C 59(10) (2003) m387-m389

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/2/01/35/2013592.cif $ #-------------------------------------------------------------------...

2,013,593

10.859

0.001

9.523

0.001

13.91

0.001

90

null

93.18

0.01

90

null

1,436.2

0.2

100

2

100

2

null

5

P 1 21/n 1

-P 2yn

14

bis(μ-1,2-benzenethiolato)-1:2κ^3^S,S':S';2:1κ^3^S,S':S'- bis[(2,2'-bipyridine-κ^2^N,N')zinc(II)]

- C32 H24 N4 S4 Zn2 -

- C64 H48 N8 S8 Zn4 -

2

0.5

FR1434

Hatch, Dana M.; Wacholtz, William F.; Mague, Joel T.

A dimeric heteroleptic five-coordinate zinc(II) complex containing a non-motionally restricted N,N'-heterocyclic ligand

Acta Crystallographica Section C

2,003

59

11

m452

m453

10.1107/S0108270103017633

0.71073

MoKα

0.027

0.0253

null

0.0641

0.0651

null

1.055

null

has coordinates,has Fobs

Hatch, Dana M.; Wacholtz, William F.; Mague, Joel T. A dimeric heteroleptic five-coordinate zinc(II) complex containing a non-motionally restricted N,N'-heterocyclic ligand Acta Crystallographica Section C 59(11) (2003) m452-m453

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/2/01/35/2013593.cif $ #-------------------------------------------------------------------...

2,013,594

10.069

0.003

14.981

0.003

11.714

0.003

90

null

100.17

0.02

90

null

1,739.2

0.8

296

null

296

null

2

P 1 21/n 1

-P 2yn

14

ap-9-(meta-tert-Butylphenyl)fluorene

- C23 H22 -

- C92 H88 -

4

1

FR1435

Robinson, Paul D.; McLean, Aaron W.; Meyers, Cal Y.

ap-9-(meta-tert-Butylphenyl)fluorene

Acta Crystallographica Section C

2,003

59

10

o539

o540

10.1107/S0108270103017797

0.71069

MoKα

0.071

0.037

null

0.095

0.109

null

1.04

null

has coordinates,has Fobs

Robinson, Paul D.; McLean, Aaron W.; Meyers, Cal Y. ap-9-(meta-tert-Butylphenyl)fluorene Acta Crystallographica Section C 59(10) (2003) o539-o540

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$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/2/01/35/2013594.cif $ #-------------------------------------------------------------------...

2,013,595

6.754

0.001

5.725

0.001

21.078

0.004

90

null

97.46

0.02

90

null

808.1

0.2

296

2

296

2

null

3

P 1 21/n 1

-P 2yn

14

(±)-cis-2-Methyl-4-oxocyclohexanecarboxylic acid

- C8 H12 O3 -

- C32 H48 O12 -

4

1

FR1436

Lalancette, Roger A.; Thompson, Hugh W.

(±)-cis-2-Methyl-4-oxocyclohexanecarboxylic acid: catemeric hydrogen bonding in a δ-keto acid derived from Hagemann's ester

Acta Crystallographica Section C

2,003

59

12

o679

o681

10.1107/S0108270103024545

0.71073

MoKα

0.105

0.064

null

0.148

0.172

null

1.05

null

has coordinates,has Fobs

Lalancette, Roger A.; Thompson, Hugh W. (±)-cis-2-Methyl-4-oxocyclohexanecarboxylic acid: catemeric hydrogen bonding in a δ-keto acid derived from Hagemann's ester Acta Crystallographica Section C 59(12) (2003) o679-o681

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$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/2/01/35/2013595.cif $ #-------------------------------------------------------------------...

2,013,596

5.4302

0.0009

13.37

0.002

14.075

0.002

63.198

0.011

86.956

0.012

85.297

0.014

908.9

0.3

296

2

296

2

null

3

P -1

-P 1

2

(±)-2-Oxocyclohexanepropionic acid

- C9 H14 O3 -

- C36 H56 O12 -

4

2

FR1439

Lalancette, Roger A.; Thompson, Hugh W.

(±)-2-Oxocyclohexanepropionic acid: dual conformational selection and hydrogen bonding in a δ-keto acid, and a two-phase technique for crystallizing acids by contact with aqueous solutions of their salts

Acta Crystallographica Section C

2,003

59

11

o638

o640

10.1107/S0108270103020638

0.71073

MoKα

0.089

0.052

null

0.126

0.145

null

1.02

null

has coordinates,has Fobs

Lalancette, Roger A.; Thompson, Hugh W. (±)-2-Oxocyclohexanepropionic acid: dual conformational selection and hydrogen bonding in a δ-keto acid, and a two-phase technique for crystallizing acids by contact with aqueous solutions of their salts Acta Crystallographica Section C 59(11) (2003) o638-o640

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$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/2/01/35/2013596.cif $ #-------------------------------------------------------------------...

2,013,597

16.6252

0.001

10.6287

0.0005

23.831

0.002

90

null

95.484

0.005

90

null

4,191.8

0.5

173

2

173

2

null

4

P 1 21/c 1

-P 2ybc

14

bis[N,N'-bis(2-isopropylphenyl)pentane-2,4-diiminato]magnesium(II)

- C46 H58 Mg N4 -

- C184 H232 Mg4 N16 -

4

1

FR1440

Kennedy, Alan R.; Mair, Francis S.

A magnesium‒bis(diaryldiketiminate) complex

Acta Crystallographica Section C

2,003

59

12

m549

m551

10.1107/S010827010302376X

0.71073

MoKα

0.1124

0.0478

null

0.1018

0.1191

null

1.031

null

has coordinates,has Fobs

Kennedy, Alan R.; Mair, Francis S. A magnesium‒bis(diaryldiketiminate) complex Acta Crystallographica Section C 59(12) (2003) m549-m551

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/2/01/35/2013597.cif $ #-------------------------------------------------------------------...

2,013,598

12.174

0.002

12.174

0.002

6.885

0.002

90

null

90

null

90

null

1,020.4

0.4

294

null

4

I -4

82

tetraphenylarsonium iodide

- C24 H20 As I -

- C48 H40 As2 I2 -

2

0.25

GA1032

Dean, Philip A. W.; Craig, Donald C.; Scudder, Marcia L.; Dance, Ian G.

Tetraphenylarsonium iodide, a new determination

Acta Crystallographica Section C

2,003

59

11

m484

m486

10.1107/S0108270103022650

0.71073

MoKα

null

0.022

null

0.03

null

1.13

null

has coordinates,has Fobs

Dean, Philip A. W.; Craig, Donald C.; Scudder, Marcia L.; Dance, Ian G. Tetraphenylarsonium iodide, a new determination Acta Crystallographica Section C 59(11) (2003) m484-m486

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$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/2/01/35/2013598.cif $ #-------------------------------------------------------------------...

2,013,599

10.5565

0.0014

10.9994

0.0015

11.4194

0.0015

78.966

0.002

71.685

0.002

77.256

0.003

1,217.1

0.3

293

2

293

2

null

5

P -1

-P 1

2

tetrakis(μ-crotonato-1:2κ^2^O:O')bis[(crotonato-κ^2^O,O')(1,10- phenanthroline-κ^2^N,N')yttrium(III)] dihydrate

- C48 H50 N4 O14 Y2 -

- C48 H46 N4 O14 Y2 -

1

0.5

GA1033

Atria, Ana María; Muñoz, Juan Carlos; Soto, Andrés; Garland, María Teresa; Baggio, Ricardo

Three yttrium crotonate complexes with diimines

Acta Crystallographica Section C

2,003

59

10

m416

m420

10.1107/S0108270103019073

0.71073

MoKα

0.16

0.057

null

0.104

0.115

null

0.864

null

has coordinates,has disorder,has Fobs

Atria, Ana María; Muñoz, Juan Carlos; Soto, Andrés; Garland, María Teresa; Baggio, Ricardo Three yttrium crotonate complexes with diimines Acta Crystallographica Section C 59(10) (2003) m416-m420

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/2/01/35/2013599.cif $ #-------------------------------------------------------------------...

2,013,600

10.6924

0.0014

10.906

0.0015

11.8528

0.0016

77.832

0.002

72.329

0.002

77.81

0.002

1,271.2

0.3

293

2

293

2

null

5

P -1

-P 1

2

tetrakis(μ-crotonato-1:2κ^2^O:O')bis[(crotonato-κ^2^O,O')(4-methyl-1,10- phenanthroline-κ^2^N,N')yttrium(III)] dihydrate

- C50 H54 N4 O14 Y2 -

- C50 H50 N4 O14 Y2 -

1

0.5

GA1033

Atria, Ana María; Muñoz, Juan Carlos; Soto, Andrés; Garland, María Teresa; Baggio, Ricardo

Three yttrium crotonate complexes with diimines

Acta Crystallographica Section C

2,003

59

10

m416

m420

10.1107/S0108270103019073

0.71073

MoKα

0.132

0.047

null

0.077

0.084

null

0.83

null

has coordinates,has disorder,has Fobs

Atria, Ana María; Muñoz, Juan Carlos; Soto, Andrés; Garland, María Teresa; Baggio, Ricardo Three yttrium crotonate complexes with diimines Acta Crystallographica Section C 59(10) (2003) m416-m420

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/2/01/36/2013600.cif $ #-------------------------------------------------------------------...

2,013,601

38.108

0.004

8.851

0.001

25.539

0.003

90

null

126.26

0.01

90

null

6,945.9

1.6

293

2

293

2

null

5

C 1 2/c 1

-C 2yc

15

tetrakis(μ-crotonato-1:2κ^2^O:O')bis[bis(aqua-κO)(crotonato- κ^2^O,O')(yttrium(III)] 2,2'-bipyridylamine tetrasolvate

- C64 H74 N12 O16 Y2 -

- C256 H296 N48 O64 Y8 -

4

0.5

GA1033

Atria, Ana María; Muñoz, Juan Carlos; Soto, Andrés; Garland, María Teresa; Baggio, Ricardo

Three yttrium crotonate complexes with diimines

Acta Crystallographica Section C

2,003

59

10

m416

m420

10.1107/S0108270103019073

0.71073

MoKα

0.076

0.042

null

0.088

0.094

null

0.878

null

has coordinates,has Fobs

Atria, Ana María; Muñoz, Juan Carlos; Soto, Andrés; Garland, María Teresa; Baggio, Ricardo Three yttrium crotonate complexes with diimines Acta Crystallographica Section C 59(10) (2003) m416-m420

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$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/2/01/36/2013601.cif $ #-------------------------------------------------------------------...

2,013,602

9.5032

0.0005

21.4599

0.001

11.7601

0.0007

90

null

113.791

0.001

90

null

2,194.5

0.2

291

2

291

2

null

6

P 1 21/c 1

-P 2ybc

14

O-(2-tert-butyl-6-dimethylcarbonothioyl-4-methyl-phenyl) dimethylthiocarbamoate dichloromethane solvate.

- C18 H28 Cl2 N2 O S2 -

- C72 H112 Cl8 N8 O4 S8 -

4

1

GD1269

Castillo, Ivan; Flores-Figueroa, Aarón; Hernández-Ortega, Simón

O-(2-tert-Butyl-6-dimethylthiocarbamoyl-4-methylphenyl) N,N-dimethylthiocarbamate dichloromethane solvate

Acta Crystallographica Section C

2,003

59

10

o577

o579

10.1107/S010827010301905X

0.71073

MoKα

0.0873

0.0607

null

0.1533

0.1667

null

0.985

null

has coordinates,has disorder,has Fobs

Castillo, Ivan; Flores-Figueroa, Aarón; Hernández-Ortega, Simón O-(2-tert-Butyl-6-dimethylthiocarbamoyl-4-methylphenyl) N,N-dimethylthiocarbamate dichloromethane solvate Acta Crystallographica Section C 59(10) (2003) o577-o579

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/2/01/36/2013602.cif $ #-------------------------------------------------------------------...

2,013,603

12.814

0.001

10.4199

0.0008

20.072

0.002

90

null

106.937

0.001

90

null

2,563.8

0.4

150

2

150

2

null

5

P 1 21/n 1

-P 2yn

14

4-Piperidinylpyridinium hexafluorophosphate

- C10 H15 F6 N2 P -

- C80 H120 F48 N16 P8 -

8

2

GD1273

James, Bruce D.; Mutrofin, Siti; Skelton, Brian W.; White, Allan H.

4-(Piperidin-1-yl)pyridinium hexafluorophosphate at 150K

Acta Crystallographica Section C

2,003

59

11

o622

o624

10.1107/S0108270103019358

0.71073

MoKα

0.059

0.042

null

0.052

null

0.048

null

0.982

null

1.047

null

has coordinates,has Fobs

James, Bruce D.; Mutrofin, Siti; Skelton, Brian W.; White, Allan H. 4-(Piperidin-1-yl)pyridinium hexafluorophosphate at 150K Acta Crystallographica Section C 59(11) (2003) o622-o624

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$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/2/01/36/2013603.cif $ #-------------------------------------------------------------------...

2,013,604

9.359

0.002

9.406

0.002

9.509

0.002

68.05

0.02

64.17

0.02

62.58

0.01

652.9

0.3

293

2

293

2

null

4

P -1

-P 1

2

- C15 H8 O7 S -

- C30 H16 O14 S2 -

2

1

GD1278

Skelton, Brian W.; White, Allan H.

7-Methoxyanthra[1,9-de]-1,3,2-dioxathiine-8,11-dione 2,2-dioxide

Acta Crystallographica Section C

2,003

59

11

o609

o610

10.1107/S0108270103020420

0.71073

MoKα

0.059

0.046

null

0.063

null

0.058

null

1.007

null

1.083

null

has coordinates,has Fobs

Skelton, Brian W.; White, Allan H. 7-Methoxyanthra[1,9-de]-1,3,2-dioxathiine-8,11-dione 2,2-dioxide Acta Crystallographica Section C 59(11) (2003) o609-o610

301,798

2025-08-19

6:42:14

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2,013,605

12.5103

0.0007

8.4276

0.0006

24.401

0.002

90

null

90

null

90

null

2,572.6

0.3

120

2

120

2

null

7

P b c a

-P 2ac 2ab

61

catena-poly[dipotassium [bis[μ-N-salicylidene-β-alaninato(2-)]-κ^4^O,N,O':O'';κ^4^O'':O,N,O'- dicopper(II)]-di-μ-isothiocyanato-k^2^N:S;κ^2^S:N]

- C11 H9 Cu K N2 O3 S -

- C88 H72 Cu8 K8 N16 O24 S8 -

8

1

GD1279

Marek, Jaromír; Vančo, Ján; Švajlenová, Oľga

catena-Poly[potassium [copper(II)-μ-isothiocyanato-μ-N-salicylidene-β-alaninato(2–)]]

Acta Crystallographica Section C

2,003

59

12

m509

m511

10.1107/S0108270103023151

0.71073

MoKα

0.04

0.033

null

0.077

0.08

null

1.033

null

has coordinates,has Fobs

Marek, Jaromír; Vančo, Ján; Švajlenová, Oľga catena-Poly[potassium [copper(II)-μ-isothiocyanato-μ-N-salicylidene-β-alaninato(2–)]] Acta Crystallographica Section C 59(12) (2003) m509-m511

301,798

2025-08-19

6:42:14

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2,013,606

9.0791

0.0014

11.0455

0.0015

11.358

0.0011

93.592

0.01

102.316

0.011

112.167

0.014

1,017.6

0.3

120

2

120

2

null

6

P -1

-P 1

2

[N,N'-bis(3-aminopropyl)ethylenediamine-κ^4^N,N',N'',N'''][1,3,5-triazine- 2,4,6(1H,3H,5H)-trithioneκ^2^N,S]zinc(II) ethanol solvate

- C13 H29 N7 O S3 Zn -

- C26 H58 N14 O2 S6 Zn2 -

2

1

GD1284

Marek, Jaromír; Kopel, Pavel; Trávníček, Zdeněk

[N,N'-Bis(3-aminopropyl)ethylenediamine-κ^4^N,N',N'',N'''](trithiocyanurato-κ^2^N,S)zinc(II) ethanol solvate

Acta Crystallographica Section C

2,003

59

12

m558

m560

10.1107/S0108270103025836

0.71073

MoKα

0.037

0.036

null

0.097

null

1.008

null

has coordinates,has Fobs

Marek, Jaromír; Kopel, Pavel; Trávníček, Zdeněk [N,N'-Bis(3-aminopropyl)ethylenediamine-κ^4^N,N',N'',N'''](trithiocyanurato-κ^2^N,S)zinc(II) ethanol solvate Acta Crystallographica Section C 59(12) (2003) m558-m560

176,760

2020-10-21

18:00:00

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2,013,607

9.5904

0.0003

13.4903

0.0005

15.8568

0.0005

90

null

106.603

0.002

90

null

1,965.98

0.12

294

1

150

1

null

5

P 1 21/a 1

-P 2yab

14

N-(ferrocenylmethyl)anthracene-9-carboxamide

- C26 H21 Fe N O -

- C104 H84 Fe4 N4 O4 -

4

1

GD1288

Gallagher, John F.; Kelly, Paula N.; Kenny, Peter T. M.; Lough, Alan J.

Intermolecular interactions in N-(ferrocenylmethyl)anthracene-9-carboxamide

Acta Crystallographica Section C

2,003

59

12

m552

m554

10.1107/S010827010302585X

0.71073

MoKα

0.0674

0.0395

null

0.0854

0.0974

null

1.03

null

has coordinates,has Fobs

Gallagher, John F.; Kelly, Paula N.; Kenny, Peter T. M.; Lough, Alan J. Intermolecular interactions in N-(ferrocenylmethyl)anthracene-9-carboxamide Acta Crystallographica Section C 59(12) (2003) m552-m554

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/2/01/36/2013607.cif $ #-------------------------------------------------------------------...

2,013,608

12.133

0.005

12.658

0.005

19.104

0.005

76.39

0.005

73.26

0.005

76.62

0.005

2,688.2

1.7

160

null

293

2

null

4

P -1

-P 1

2

1,2-Dicarboxy-1,2-dicarba-closo-dodecaborane(12)

- C5 H15 B10 O4.5 -

- C40 H120 B80 O36 -

8

4

GG1173

Ulaganathan Venkatasubramanian; David Ellis; Georgina M. Rosair; Alan J. Welch

Crystal engineering with heteroboranes. II. 1,2-Dicarboxy-1,2-dicarba-closo-dodecaborane(12) ethanol hemisolvate

Acta Crystallographica Section C

2,003

59

10

o559

o561

10.1107/S0108270103017608

0.71069

MoKα

0.0638

0.0523

null

0.1343

0.1437

null

1.027

null

has coordinates,has disorder,has Fobs

Ulaganathan Venkatasubramanian; David Ellis; Georgina M. Rosair; Alan J. Welch Crystal engineering with heteroboranes. II. 1,2-Dicarboxy-1,2-dicarba-closo-dodecaborane(12) ethanol hemisolvate Acta Crystallographica Section C 59(10) (2003) o559-o561

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/2/01/36/2013608.cif $ #-------------------------------------------------------------------...

2,013,609

22.4411

0.0004

22.4411

0.0004

13.3749

0.0002

90

null

90

null

90

null

6,735.6

0.2

293

2

293

2

null

4

P 42 b c

P 4c -2ab

106

Benzyltripropylammonium bromide

- C16 H28 Br N -

- C256 H448 Br16 N16 -

16

2

GG1174

Hodorowicz, Maciej A.; Czapkiewicz, Jan; Stadnicka, Katarzyna

Benzyltripropylammonium bromide: a structure in polar space group P4~2~bc

Acta Crystallographica Section C

2,003

59

10

o547

o549

10.1107/S0108270103018651

0.71073

MoKα

0.062

0.038

null

0.069

0.076

null

1.048

null

has coordinates,has Fobs

Hodorowicz, Maciej A.; Czapkiewicz, Jan; Stadnicka, Katarzyna Benzyltripropylammonium bromide: a structure in polar space group P4~2~bc Acta Crystallographica Section C 59(10) (2003) o547-o549

301,798

2025-08-19

6:42:14

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2,013,610

11.1273

0.0009

23.8687

0.0015

12.9417

0.0007

90

null

94.584

0.006

90

null

3,426.2

0.4

293

2

293

2

null

5

P 1 21/n 1

-P 2yn

14

Tris(1,10-phenanthroline)sodium 2,4,6-trimercapto-1,3,5-triazin-1-ide

- C39 H26 N9 Na S3 -

- C156 H104 N36 Na4 S12 -

4

1

GG1175

Marek, Jaromír; Kopel, Pavel; Trávníček, Zdeněk

Tris(1,10-phenanthroline)sodium 2,4,6-trimercapto-1,3,5-triazin-1-ide

Acta Crystallographica Section C

2,003

59

10

m399

m401

10.1107/S0108270103017773

0.71073

MoKα

0.057

0.049

null

0.127

0.13

null

0.993

null

has coordinates,has Fobs

Marek, Jaromír; Kopel, Pavel; Trávníček, Zdeněk Tris(1,10-phenanthroline)sodium 2,4,6-trimercapto-1,3,5-triazin-1-ide Acta Crystallographica Section C 59(10) (2003) m399-m401

301,798

2025-08-19

6:42:14

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2,013,611

7.9973

0.0008

12.4449

0.0009

12.6115

0.0012

63.753

0.008

81.41

0.008

84.866

0.007

1,112.74

0.19

100

2

100

2

null

4

P -1

-P 1

2

Berberine formate-succinic acid clathrate

9,10-dimethoxy-2,3-methylendioxy-5,6-dihydrodibenzo[a,g]quinolizinium formate-succinic acid (1/1)

- C25 H25 N O10 -

- C50 H50 N2 O20 -

2

1

GG1177

Marek, Jaromír; Hulová, Dagmar; Dostál, Jiří; Marek, Radek

Berberine formate–succinic acid (1/1)

Acta Crystallographica Section C

2,003

59

10

o583

o585

10.1107/S010827010301789X

0.71073

MoKα

0.039

0.034

null

0.1

0.115

null

1.029

null

has coordinates,has Fobs

Marek, Jaromír; Hulová, Dagmar; Dostál, Jiří; Marek, Radek Berberine formate–succinic acid (1/1) Acta Crystallographica Section C 59(10) (2003) o583-o585

301,798

2025-08-19

6:42:14

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2,013,612

7.8033

0.0005

10.6424

0.0007

13.2432

0.0009

108.491

0.001

96.081

0.001

110.165

0.001

950.03

0.11

100

2

293

2

null

4

P -1

-P 1

2

Ethyl N-phenyloxamate

- C10 H11 N O3 -

- C40 H44 N4 O12 -

4

2

GG1178

Efrén V. García-Báez; Carlos Z. Gómez-Castro; Herbert Höpfl; Francisco J. Martínez-Martínez; Itzia I. Padilla-Martínez

Ethyl N-phenyloxamate

Acta Crystallographica Section C

2,003

59

10

o541

o543

10.1107/S0108270103017554

0.71073

MoKα

0.0499

0.0439

null

0.1095

0.1137

null

1.05

null

has coordinates,has Fobs

Efrén V. García-Báez; Carlos Z. Gómez-Castro; Herbert Höpfl; Francisco J. Martínez-Martínez; Itzia I. Padilla-Martínez Ethyl N-phenyloxamate Acta Crystallographica Section C 59(10) (2003) o541-o543

301,798

2025-08-19

6:42:14

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2,013,613

26.608

0.008

7.0551

0.0006

18.918

0.005

90

null

129.71

0.01

90

null

2,732

1.2

296

2

296

2

null

5

C 1 2/c 1

-C 2yc

15

1-[(4-ethylthiosemicarbazono)methyl]-2-naphthol

- C14 H15 N3 O S -

- C112 H120 N24 O8 S8 -

8

1

GG1180

Bernhardt, Paul V.; Caldwell, Lorraine M.; Lovejoy, David B.; Richardson, Des R.

Four cytotoxic N4-substituted thiosemicarbazones derived from 2-hydroxynaphthalene-1-carboxaldehyde

Acta Crystallographica Section C

2,003

59

11

o629

o633

10.1107/S0108270103021401

0.71073

MoKα

0.058

0.04

null

0.109

0.122

null

1.042

null

has coordinates,has Fobs

Bernhardt, Paul V.; Caldwell, Lorraine M.; Lovejoy, David B.; Richardson, Des R. Four cytotoxic N4-substituted thiosemicarbazones derived from 2-hydroxynaphthalene-1-carboxaldehyde Acta Crystallographica Section C 59(11) (2003) o629-o633

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$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/2/01/36/2013613.cif $ #-------------------------------------------------------------------...

2,013,614

19.243

0.004

6.7948

0.0006

24.471

0.006

90

null

95.48

0.01

90

null

3,185

1.1

296

2

296

2

null

5

C 1 2/c 1

-C 2yc

15

1-[(4-phenylthiosemicarbazono)methyl]-2-naphthol

- C18 H15 N3 O S -

- C144 H120 N24 O8 S8 -

8

1

GG1180

Bernhardt, Paul V.; Caldwell, Lorraine M.; Lovejoy, David B.; Richardson, Des R.

Four cytotoxic N4-substituted thiosemicarbazones derived from 2-hydroxynaphthalene-1-carboxaldehyde

Acta Crystallographica Section C

2,003

59

11

o629

o633

10.1107/S0108270103021401

0.71073

MoKα

0.108

0.04

null

0.099

0.126

null

0.999

null

has coordinates,has Fobs

Bernhardt, Paul V.; Caldwell, Lorraine M.; Lovejoy, David B.; Richardson, Des R. Four cytotoxic N4-substituted thiosemicarbazones derived from 2-hydroxynaphthalene-1-carboxaldehyde Acta Crystallographica Section C 59(11) (2003) o629-o633

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$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/2/01/36/2013614.cif $ #-------------------------------------------------------------------...

2,013,615

12.012

0.002

7.8776

0.0009

18.631

0.003

90

null

95.78

0.01

90

null

1,754

0.5

296

2

296

2

null

5

P 1 21/n 1

-P 2yn

14

1-[(4,4-dimethylthiosemicarbazono)methyl]-2-naphthol dimethyl sulfoxide solvate

- C16 H21 N3 O2 S2 -

- C64 H84 N12 O8 S8 -

4

1

GG1180

Bernhardt, Paul V.; Caldwell, Lorraine M.; Lovejoy, David B.; Richardson, Des R.

Four cytotoxic N4-substituted thiosemicarbazones derived from 2-hydroxynaphthalene-1-carboxaldehyde

Acta Crystallographica Section C

2,003

59

11

o629

o633

10.1107/S0108270103021401

0.71073

MoKα

0.087

0.04

null

0.099

0.12

null

1.017

null

has coordinates,has disorder,has Fobs

Bernhardt, Paul V.; Caldwell, Lorraine M.; Lovejoy, David B.; Richardson, Des R. Four cytotoxic N4-substituted thiosemicarbazones derived from 2-hydroxynaphthalene-1-carboxaldehyde Acta Crystallographica Section C 59(11) (2003) o629-o633

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$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/2/01/36/2013615.cif $ #-------------------------------------------------------------------...

2,013,616

9.293

0.001

5.1612

0.0003

12.563

0.001

90

null

91.31

0.02

90

null

602.4

0.09

296

2

296

2

null

5

P 1 21 1

P 2yb

4

1-[(4-methylthiosemicarbazono)methyl]-2-naphthol

- C13 H13 N3 O S -

- C26 H26 N6 O2 S2 -

2

1

GG1180

Bernhardt, Paul V.; Caldwell, Lorraine M.; Lovejoy, David B.; Richardson, Des R.

Four cytotoxic N4-substituted thiosemicarbazones derived from 2-hydroxynaphthalene-1-carboxaldehyde

Acta Crystallographica Section C

2,003

59

11

o629

o633

10.1107/S0108270103021401

0.71073

MoKα

0.048

0.03

null

0.073

0.08

null

1.056

null

has coordinates,has Fobs

Bernhardt, Paul V.; Caldwell, Lorraine M.; Lovejoy, David B.; Richardson, Des R. Four cytotoxic N4-substituted thiosemicarbazones derived from 2-hydroxynaphthalene-1-carboxaldehyde Acta Crystallographica Section C 59(11) (2003) o629-o633

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$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/2/01/36/2013616.cif $ #-------------------------------------------------------------------...

2,013,617

6.8439

0.0006

8.5266

0.0009

9.4154

0.0008

78.634

0.008

74.531

0.007

73.96

0.009

504.38

0.09

193

2

193

2

null

5

P -1

-P 1

2

1-allyl-2-aminopyridinium di-μ-chloro-bis[chlorocopper(II)]

- C16 H22 Cl4 Cu2 N4 -

1

0.5

GG1181

Goreshnik, Evgeny; Schollmeier, Dieter; Mys'kiv, Marian

Influence of Cl/Br substitution on the stereochemical peculiarities of copper(I) π-complexes with the 1-allyl-2-aminopyridinium cation

Acta Crystallographica Section C

2,003

59

11

m478

m481

10.1107/S0108270103021978

1.54178

CuKα

0.0436

0.0434

null

0.1247

0.1248

null

1.14

null

has coordinates,has Fobs

Goreshnik, Evgeny; Schollmeier, Dieter; Mys'kiv, Marian Influence of Cl/Br substitution on the stereochemical peculiarities of copper(I) π-complexes with the 1-allyl-2-aminopyridinium cation Acta Crystallographica Section C 59(11) (2003) m478-m481

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/2/01/36/2013617.cif $ #-------------------------------------------------------------------...

2,013,618

6.8847

0.0005

8.6835

0.0012

9.6042

0.0014

78.096

0.012

74.172

0.009

73.642

0.009

524.8

0.12

295

2

295

2

null

6

P -1

-P 1

2

1-allyl-2-aminopyridinium di-μ-(chloro/bromo)-bis[(chloro/bromo)copper(II)]

- C16 H22 Br2.2 Cl1.8 Cu2 N4 -

- C16 H22 Br2.202 Cl1.798 Cu2 N4 -

1

0.5

GG1181

Goreshnik, Evgeny; Schollmeier, Dieter; Mys'kiv, Marian

Influence of Cl/Br substitution on the stereochemical peculiarities of copper(I) π-complexes with the 1-allyl-2-aminopyridinium cation

Acta Crystallographica Section C

2,003

59

11

m478

m481

10.1107/S0108270103021978

1.54178

CuKα

0.0362

0.0359

null

0.0971

0.0973

null

1.178

null

has coordinates,has disorder,has Fobs

Goreshnik, Evgeny; Schollmeier, Dieter; Mys'kiv, Marian Influence of Cl/Br substitution on the stereochemical peculiarities of copper(I) π-complexes with the 1-allyl-2-aminopyridinium cation Acta Crystallographica Section C 59(11) (2003) m478-m481

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/2/01/36/2013618.cif $ #-------------------------------------------------------------------...

2,013,619

15.0347

0.0007

15.987

0.0007

16.4562

0.0008

83.501

0.004

66.004

0.005

61.981

0.005

3,175.1

0.3

120

2

120

2

null

6

P -1

-P 1

2

Diaqua-bis(1,10-phenanthroline-N,N')manganese(II)] [bis(1,10-phenanthroline-N,N')(thiodiglycolato-O,O')manganese(II)] thiodiglycolate tridecahydrate

- C56 H66 Mn2 N8 O23 S2 -

- C112 H132 Mn4 N16 O46 S4 -

2

1

GG1182

Marek, Jaromír; Trávníček, Zdeněk; Kopel, Pavel

Diaquabis(1,10-phenanthroline-κ^2^N,N')manganese(II) thiodiglycolate bis(1,10-phenanthroline-κ^2^N,N')(thiodiglycolato-κ^2^O,O')manganese(II) tridecahydrate

Acta Crystallographica Section C

2,003

59

11

m429

m431

10.1107/S0108270103020249

0.71073

MoKα

0.0431

0.0391

null

0.0962

0.0986

null

1.047

null

has coordinates,has disorder

Marek, Jaromír; Trávníček, Zdeněk; Kopel, Pavel Diaquabis(1,10-phenanthroline-κ^2^N,N')manganese(II) thiodiglycolate bis(1,10-phenanthroline-κ^2^N,N')(thiodiglycolato-κ^2^O,O')manganese(II) tridecahydrate Acta Crystallographica Section C 59(11) (2003) m429-m431

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$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/2/01/36/2013619.cif $ #-------------------------------------------------------------------...

2,013,620

7.656

0.002

8.613

0.002

9.671

0.002

78.893

0.003

71.433

0.003

77.984

0.003

585.8

0.2

293

2

293

2

null

5

P -1

-P 1

2

Di-μ-cyanato-bis[(cyanato-κN)(tetramethylethylenediamine- κ^2^N,N')copper(II)]

- C16 H32 Cu2 N8 O4 -

1

0.5

GG1183

Luo, Jun; Zhou, Xi-Geng; Weng, Lin-Hong; Hou, Xiu-Feng

Di-μ-cyanato-bis[(cyanato-κN)(tetramethylethylenediamine-κ^2^N,N')copper(II)] and catena-poly[[μ~3~-cyanato-κ^3^O:N:N-bis[(cyanato-κN)(1,3-diaminopropane-κ^2^N,N')copper(II)]]-μ~3~-cyanato-κ^3^N:N:O]

Acta Crystallographica Section C

2,003

59

12

m519

m522

10.1107/S010827010302403X

0.71073

MoKα

0.032

0.03

null

0.081

0.082

null

1.064

null

has coordinates,has Fobs

Luo, Jun; Zhou, Xi-Geng; Weng, Lin-Hong; Hou, Xiu-Feng Di-μ-cyanato-bis[(cyanato-κN)(tetramethylethylenediamine-κ^2^N,N')copper(II)] and catena-poly[[μ~3~-cyanato-κ^3^O:N:N-bis[(cyanato-κN)(1,3-diaminopropane-κ^2^N,N')copper(II)]]-μ~3~-cyanato-κ^3^<i...

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$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/2/01/36/2013620.cif $ #-------------------------------------------------------------------...

2,013,621

6.711

0.002

6.636

0.002

19.23

0.006

90

null

100.049

0.003

90

null

843.3

0.4

298

2

298

2

null

5

P 1 21/n 1

-P 2yn

14

catena-poly[[[μ~2~-cyanato-κ^2^N:N-bis[(cyanato-κN)(1,3-diaminopropane- κ^2^N,N')copper(II)]]-μ~3~-cyanato-κ^3^N:N:O]

- C5 H10 Cu N4 O2 -

- C20 H40 Cu4 N16 O8 -

4

1

GG1183

Luo, Jun; Zhou, Xi-Geng; Weng, Lin-Hong; Hou, Xiu-Feng

Di-μ-cyanato-bis[(cyanato-κN)(tetramethylethylenediamine-κ^2^N,N')copper(II)] and catena-poly[[μ~3~-cyanato-κ^3^O:N:N-bis[(cyanato-κN)(1,3-diaminopropane-κ^2^N,N')copper(II)]]-μ~3~-cyanato-κ^3^N:N:O]

Acta Crystallographica Section C

2,003

59

12

m519

m522

10.1107/S010827010302403X

0.71073

MoKα

0.045

0.035

null

0.087

0.09

null

1.044

null

has coordinates,has Fobs

Luo, Jun; Zhou, Xi-Geng; Weng, Lin-Hong; Hou, Xiu-Feng Di-μ-cyanato-bis[(cyanato-κN)(tetramethylethylenediamine-κ^2^N,N')copper(II)] and catena-poly[[μ~3~-cyanato-κ^3^O:N:N-bis[(cyanato-κN)(1,3-diaminopropane-κ^2^N,N')copper(II)]]-μ~3~-cyanato-κ^3^<i...

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$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/2/01/36/2013621.cif $ #-------------------------------------------------------------------...

2,013,622

6.1652

0.0003

10.2718

0.0005

26.1962

0.0017

90

null

90

null

90

null

1,658.95

0.16

120

2

120

2

null

4

P 21 21 21

P 2ac 2ab

19

2-phenylmalonpiperadide

2-phenyl-1,3-bis(piperidin-1-yl)propane-1,3-dione

- C19 H26 N2 O2 -

- C76 H104 N8 O8 -

4

1

GG1184

Lynch, Daniel E.; Spicer, Gillian E.; McClenaghan, Ian

2-Phenylmalonpiperadide and 2-phenylmalonmorpholide

Acta Crystallographica Section C

2,003

59

12

o715

o718

10.1107/S0108270103021310

0.71073

MoKα

0.2065

0.0689

null

0.125

0.1774

null

0.936

null

has coordinates

Lynch, Daniel E.; Spicer, Gillian E.; McClenaghan, Ian 2-Phenylmalonpiperadide and 2-phenylmalonmorpholide Acta Crystallographica Section C 59(12) (2003) o715-o718

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$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/2/01/36/2013622.cif $ #-------------------------------------------------------------------...

2,013,623

8.39

0.0001

10.8464

0.0002

17.0838

0.0004

90

null

90

null

90

null

1,554.65

0.05

120

2

120

2

null

4

P 21 21 21

P 2ac 2ab

19

2-phenylmalonmorpholide

1,3-dimorpholino-2-phenylpropane-1,3-dione

- C17 H22 N2 O4 -

- C68 H88 N8 O16 -

4

1

GG1184

Lynch, Daniel E.; Spicer, Gillian E.; McClenaghan, Ian

2-Phenylmalonpiperadide and 2-phenylmalonmorpholide

Acta Crystallographica Section C

2,003

59

12

o715

o718

10.1107/S0108270103021310

0.71073

MoKα

0.0438

0.0391

null

0.1012

0.1034

null

1.118

null

has coordinates

Lynch, Daniel E.; Spicer, Gillian E.; McClenaghan, Ian 2-Phenylmalonpiperadide and 2-phenylmalonmorpholide Acta Crystallographica Section C 59(12) (2003) o715-o718

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$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/2/01/36/2013623.cif $ #-------------------------------------------------------------------...

2,013,624

7.802

0.001

8.622

0.001

9.441

0.001

113.84

0.01

91.18

0.01

109.04

0.01

540.52

0.13

300

2

300

2

null

5

P -1

-P 1

2

methyl 2-(4-methyl-2-thioxo-2,3-dihydrothiazol-3-yloxy)propanoate

- C8 H11 N O3 S2 -

- C16 H22 N2 O6 S4 -

2

1

GG1186

Hartung, Jens; Schwarz, Michaela; Svoboda, Ingrid; Fuess, Hartmut

Uncovering stereochemical relations in a compound with a stereogenic N—O axis: methyl 2-(4-methyl-2-thioxo-2,3-dihydrothiazol-3-yloxy)propanoate

Acta Crystallographica Section C

2,003

59

12

o682

o684

10.1107/S0108270103024077

0.71073

MoKα

0.0407

0.0373

null

0.0987

0.1026

null

1.097

null

has coordinates,has Fobs

Hartung, Jens; Schwarz, Michaela; Svoboda, Ingrid; Fuess, Hartmut Uncovering stereochemical relations in a compound with a stereogenic N—O axis: methyl 2-(4-methyl-2-thioxo-2,3-dihydrothiazol-3-yloxy)propanoate Acta Crystallographica Section C 59(12) (2003) o682-o684

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$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/2/01/36/2013624.cif $ #-------------------------------------------------------------------...

2,013,625

7.1953

0.0014

8.4763

0.0017

11.811

0.002

84.35

0.03

88.05

0.03

70.06

0.03

673.9

0.3

150

2

150

2

null

7

P -1

-P 1

2

1-(4-chlorophenylsulfanyl)-2-nitro-4-(trifluoromethyl)benzene

- C13 H7 Cl F3 N O2 S -

- C26 H14 Cl2 F6 N2 O4 S2 -

2

1

GG1187

Daniel E. Lynch; Ian M^c^Clenaghan

1-(4-Chlorophenylsulfanyl)-2-nitro-4-(trifluoromethyl)benzene and 1-(4-chlorophenylsulfanyl)-4-nitro-2-(trifluoromethyl)benzene

Acta Crystallographica Section C

2,003

59

11

o641

o643

10.1107/S0108270103021309

0.71073

MoKα

0.094

0.0588

null

0.171

0.2023

null

1.027

null

has coordinates,has Fobs

Daniel E. Lynch; Ian M^c^Clenaghan 1-(4-Chlorophenylsulfanyl)-2-nitro-4-(trifluoromethyl)benzene and 1-(4-chlorophenylsulfanyl)-4-nitro-2-(trifluoromethyl)benzene Acta Crystallographica Section C 59(11) (2003) o641-o643

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$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/2/01/36/2013625.cif $ #-------------------------------------------------------------------...

2,013,626

12.335

0.003

9.2477

0.0018

12.929

0.003

90

null

108.32

0.03

90

null

1,400.1

0.6

568

2

295

2

null

7

P 1 21/n 1

-P 2yn

14

1-(4-chlorophenylsulfanyl)-4-nitro-2-(trifluoromethyl)benzene

- C13 H7 Cl F3 N O2 S -

- C52 H28 Cl4 F12 N4 O8 S4 -

4

1

GG1187

Daniel E. Lynch; Ian M^c^Clenaghan

1-(4-Chlorophenylsulfanyl)-2-nitro-4-(trifluoromethyl)benzene and 1-(4-chlorophenylsulfanyl)-4-nitro-2-(trifluoromethyl)benzene

Acta Crystallographica Section C

2,003

59

11

o641

o643

10.1107/S0108270103021309

0.71073

MoKα

0.1971

0.0833

null

0.1996

0.2576

null

0.987

null

has coordinates,has Fobs

Daniel E. Lynch; Ian M^c^Clenaghan 1-(4-Chlorophenylsulfanyl)-2-nitro-4-(trifluoromethyl)benzene and 1-(4-chlorophenylsulfanyl)-4-nitro-2-(trifluoromethyl)benzene Acta Crystallographica Section C 59(11) (2003) o641-o643

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$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/2/01/36/2013626.cif $ #-------------------------------------------------------------------...

2,013,627

6.18

0.001

7.545

0.002

12.425

0.002

91.23

0.03

102.27

0.03

108.8

0.03

533.4

0.2

293

2

293

2

null

4

P -1

-P 1

2

Anilinium malate

anilinium monohydrogen (DL)-malate

- C10 H13 N O5 -

- C20 H26 N2 O10 -

2

1

GG1192

Genivaldo Julio Perpétuo; Jan Janczak

Anilinium monohydrogen DL-malate

Acta Crystallographica Section C

2,003

59

12

o709

o711

10.1107/S0108270103023837

0.71073

MoKα

0.0702

0.039

null

0.0939

0.1074

null

1.092

null

has coordinates,has Fobs

Genivaldo Julio Perpétuo; Jan Janczak Anilinium monohydrogen DL-malate Acta Crystallographica Section C 59(12) (2003) o709-o711

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$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/2/01/36/2013627.cif $ #-------------------------------------------------------------------...

2,013,628

23.282

0.005

7.728

0.0015

9.674

0.0019

90

null

100.1

0.03

90

null

1,713.6

0.6

295

2

295

2

null

3

C 1 2/c 1

-C 2yc

15

Bis(2,5-dimethoxy-4-methylphenyl)methane

- C19 H24 O4 -

- C76 H96 O16 -

4

0.5

GG1194

Wiedenfeld, David J.; Nesterov, Vladimir N.; Minton, Mark A.; Glass, David R.

Bis(2,5-dimethoxy-4-methylphenyl)methane and bis(2,5-dimethoxy-3,4,6-trimethylphenyl)methane

Acta Crystallographica Section C

2,003

59

12

o700

o702

10.1107/S0108270103024673

0.71073

MoKα

0.088

0.048

null

0.137

0.16

null

1.089

null

has coordinates,has Fobs

Wiedenfeld, David J.; Nesterov, Vladimir N.; Minton, Mark A.; Glass, David R. Bis(2,5-dimethoxy-4-methylphenyl)methane and bis(2,5-dimethoxy-3,4,6-trimethylphenyl)methane Acta Crystallographica Section C 59(12) (2003) o700-o702

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$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/2/01/36/2013628.cif $ #-------------------------------------------------------------------...

2,013,629

24.321

0.005

6.141

0.0012

15.042

0.003

90

null

112.21

0.03

90

null

2,079.9

0.8

298

2

298

2

null

3

C 1 2/c 1

-C 2yc

15

Bis(2,5-dimethoxy-3,4,6-trimethylphenyl)methane

- C23 H32 O4 -

- C92 H128 O16 -

4

0.5

GG1194

Wiedenfeld, David J.; Nesterov, Vladimir N.; Minton, Mark A.; Glass, David R.

Bis(2,5-dimethoxy-4-methylphenyl)methane and bis(2,5-dimethoxy-3,4,6-trimethylphenyl)methane

Acta Crystallographica Section C

2,003

59

12

o700

o702

10.1107/S0108270103024673

0.71073

MoKα

0.058

0.047

null

0.136

0.148

null

1.089

null

has coordinates,has Fobs

Wiedenfeld, David J.; Nesterov, Vladimir N.; Minton, Mark A.; Glass, David R. Bis(2,5-dimethoxy-4-methylphenyl)methane and bis(2,5-dimethoxy-3,4,6-trimethylphenyl)methane Acta Crystallographica Section C 59(12) (2003) o700-o702

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$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/2/01/36/2013629.cif $ #-------------------------------------------------------------------...

2,013,630

13.2377

0.0015

5.3623

0.0004

11.5142

0.0016

90

null

109.822

0.01

90

null

768.9

0.16

293

2

293

2

null

4

P 1 21/c 1

-P 2ybc

14

Dinicotinamidium squarate

- C16 H14 N4 O6 -

- C32 H28 N8 O12 -

2

0.5

GG1196

Bulut, Ahmet; Yesilel, Okan Zafer; Dege, Necmi; Icbudak, Hasan; Olmez, Halis; Buyukgungor, Orhan

Dinicotinamidium squarate

Acta Crystallographica Section C

2,003

59

12

o727

o729

10.1107/S0108270103025903

0.71073

MoKα

0.054

0.04

null

0.104

0.109

null

0.901

null

has coordinates,has Fobs

Bulut, Ahmet; Yesilel, Okan Zafer; Dege, Necmi; Icbudak, Hasan; Olmez, Halis; Buyukgungor, Orhan Dinicotinamidium squarate Acta Crystallographica Section C 59(12) (2003) o727-o729

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/2/01/36/2013630.cif $ #-------------------------------------------------------------------...

2,013,631

4.9163

0.0009

10.34

0.002

14.136

0.003

90

null

90

null

90

null

718.6

0.2

293

2

null

4

P 21 21 21

P 2ac 2ab

19

- Cs H O7 Si3 -

- Cs O7 Si3 -

- Cs4 O28 Si12 -

4

1

IZ1030

Bull, Ivor; Parise, John B.

Cs[Si~3~O~6~(OH)] and Rb[Si~2~O~4~(OH)]: two novel phyllosilicates

Acta Crystallographica Section C

2,003

59

10

i100

i102

10.1107/S0108270103014586

0.71073

MoKα

null

0.0326

null

0.0816

null

0.925

null

has coordinates,has Fobs

Bull, Ivor; Parise, John B. Cs[Si~3~O~6~(OH)] and Rb[Si~2~O~4~(OH)]: two novel phyllosilicates Acta Crystallographica Section C 59(10) (2003) i100-i102

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/2/01/36/2013631.cif $ #-------------------------------------------------------------------...

2,013,632

4.8147

0.0013

8.267

0.002

12.814

0.003

90

null

90

null

90

null

510

0.2

293

2

null

4

P c m n

-P 2n 2ac

62

- H O5 Rb Si2 -

- O5 Rb Si2 -

- O20 Rb4 Si8 -

4

0.5

IZ1030

Bull, Ivor; Parise, John B.

Cs[Si~3~O~6~(OH)] and Rb[Si~2~O~4~(OH)]: two novel phyllosilicates

Acta Crystallographica Section C

2,003

59

10

i100

i102

10.1107/S0108270103014586

0.71073

MoKα

null

0.0274

null

0.0795

null

1.092

null

has coordinates,has Fobs

Bull, Ivor; Parise, John B. Cs[Si~3~O~6~(OH)] and Rb[Si~2~O~4~(OH)]: two novel phyllosilicates Acta Crystallographica Section C 59(10) (2003) i100-i102

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/2/01/36/2013632.cif $ #-------------------------------------------------------------------...

2,013,633

10.825

0.006

18.351

0.01

6.435

0.003

90

null

90

null

90

null

1,278.3

1.2

293

2

293

2

null

Synthetic

3

C m c 21

C 2c -2

36

potassium nitrate

Niter

- K N O3 -

- K16 N16 O48 -

16

2

Adiwidjaja, Gunadi; Pohl, Dieter

Superstructure of α-phase potassium nitrate

Acta Crystallographica, Section C

2,003

59

i139

i140

10.1107/S0108270103025277

null

has coordinates

Adiwidjaja, Gunadi; Pohl, Dieter Superstructure of α-phase potassium nitrate Acta Crystallographica, Section C 59 (2003) i139-i140

282,068

2023-03-26

10:12:03

#------------------------------------------------------------------------------ #$Date: 2023-03-26 11:09:57 +0300 (Sun, 26 Mar 2023) $ #$Revision: 282068 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/36/2013633.cif $ #-------------------------------------------------------------------...

2,013,634

7.6207

0.0015

9.2328

0.0018

11.926

0.002

99.46

0.03

105.89

0.03

91.54

0.03

793.8

0.3

293

2

293

2

null

4

P -1

-P 1

2

diammonium tetrahydroxodecaborate monohydrate

- B10 H14 N2 O19 -

- B20 H28 N4 O38 -

2

1

IZ1036

Lin-Yan Li; Guo-Bao Li; Ming Xiong; Ying-Xia Wang; Jian-Hua Lin

A new hydrated ammonium hydroxyborate, (NH~4~)~2~[B~10~O~14~(OH)~4~]·H~2~O

Acta Crystallographica Section C

2,003

59

11

i115

i116

10.1107/S0108270103021152

0.71073

MoKα

0.0525

0.0442

null

0.113

0.1182

null

1.005

null

has coordinates,has Fobs

Lin-Yan Li; Guo-Bao Li; Ming Xiong; Ying-Xia Wang; Jian-Hua Lin A new hydrated ammonium hydroxyborate, (NH~4~)~2~[B~10~O~14~(OH)~4~]·H~2~O Acta Crystallographica Section C 59(11) (2003) i115-i116

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/2/01/36/2013634.cif $ #-------------------------------------------------------------------...

2,013,635

11.034

0.004

11.582

0.009

24.149

0.007

90

null

90

null

90

null

3,086

3

100

1

null

7

P 21 21 21

P 2ac 2ab

19

- C31 H39 B K N O6 S -

- C124 H156 B4 K4 N4 O24 S4 -

4

1

JZ1569

Munro, Orde Q.; Pearson, Nicole

The isothiocyanate complex of triphenylborane forms an unusual coordination polymer with [K(18-crown-6)]^+^, both in the solid state and in solution

Acta Crystallographica Section C

2,003

59

10

m407

m412

10.1107/S0108270103018262

0.71073

MoKα

null

0.0466

null

0.0953

null

1.076

null

has coordinates,has Fobs

Munro, Orde Q.; Pearson, Nicole The isothiocyanate complex of triphenylborane forms an unusual coordination polymer with [K(18-crown-6)]^+^, both in the solid state and in solution Acta Crystallographica Section C 59(10) (2003) m407-m412

301,798

2025-08-19

6:42:14

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2,013,636

11.0652

0.0015

11.7696

0.0019

24.424

0.004

90

null

90

null

90

null

3,180.8

0.8

293

2

null

7

P 21 21 21

P 2ac 2ab

19

- C31 H39 B K N O6 S -

- C124 H156 B4 K4 N4 O24 S4 -

4

1

JZ1569

Munro, Orde Q.; Pearson, Nicole

The isothiocyanate complex of triphenylborane forms an unusual coordination polymer with [K(18-crown-6)]^+^, both in the solid state and in solution

Acta Crystallographica Section C

2,003

59

10

m407

m412

10.1107/S0108270103018262

0.71073

MoKα

null

0.0321

null

0.0941

null

1.067

null

has coordinates

Munro, Orde Q.; Pearson, Nicole The isothiocyanate complex of triphenylborane forms an unusual coordination polymer with [K(18-crown-6)]^+^, both in the solid state and in solution Acta Crystallographica Section C 59(10) (2003) m407-m412

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$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/2/01/36/2013636.cif $ #-------------------------------------------------------------------...

2,013,637

17.6868

0.0007

20.6923

0.0008

20.7567

0.0008

90

null

90

null

90

null

7,596.5

0.5

293

2

293

2

null

6

P b c a

-P 2ac 2ab

61

(perchlorato-κ^2^O,O')[28,31,36,39-tetraoxa-1,9,17,25,42- pentaazahexacyclo[23.8.5.1^11,15^.0^3,8^.0^18,23^]nonatriaconta- 3,5,7,9,11,13,15,16,18,20,22-undecane- κ^8^N^1^,N^9^,N^17^,N^42^,O^28^,O^31^,O^36^,O^39^]barium(II) perchlorate

- C33 H41 Ba Cl2 N5 O12 -

- C264 H328 Ba8 Cl16 N40 O96 -

8

1

JZ1570

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

A barium perchlorate complex with a lateral macrobicycle derived from 4,13-diaza-18-crown-6 containing a pyridine Schiff base spacer

Acta Crystallographica Section C

2,003

59

11

m450

m451

10.1107/S0108270103016901

0.71073

MoKα

0.093

0.048

null

0.078

0.092

null

1.073

null

has coordinates,has disorder,has Fobs

Avecilla, Fernando; Esteban, David; Platas-Iglesias, Carlos; Fernández-Martínez, Susana; De Blas, Andres; Rodríguez-Blas, Teresa A barium perchlorate complex with a lateral macrobicycle derived from 4,13-diaza-18-crown-6 containing a pyridine Schiff base spacer Acta Crystallographica Section C 59(11) (2003) m450-m451

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/2/01/36/2013637.cif $ #-------------------------------------------------------------------...

2,013,638

7.631

0.003

10.153

0.004

12.682

0.004

90

null

90

null

90

null

982.6

0.6

96

0.1

96

0.1

null

5

P 21 21 21

P 2ac 2ab

19

3-methanesulfonyl-N-methyl-2-nitroaniline

- C8 H10 N2 O4 S -

- C32 H40 N8 O16 S4 -

4

1

JZ1571

Zarychta, Bartosz; Daszkiewicz, Zdzisław; Kyzioł, Janusz B.; Zaleski, Jacek

Rearrangement products of 3-methanesulfonyl-N-methyl-N-nitroaniline

Acta Crystallographica Section C

2,003

59

10

o564

o566

10.1107/S0108270103017888

0.71073

MoKα

0.0276

0.0234

null

0.0542

0.0563

null

1.014

null

has coordinates,has Fobs

Zarychta, Bartosz; Daszkiewicz, Zdzisław; Kyzioł, Janusz B.; Zaleski, Jacek Rearrangement products of 3-methanesulfonyl-N-methyl-N-nitroaniline Acta Crystallographica Section C 59(10) (2003) o564-o566

301,798

2025-08-19

6:42:14

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2,013,639

8.567

0.002

12.33

0.003

18.343

0.004

90

null

90

null

90

null

1,937.6

0.8

96

0.1

96

0.1

null

5

P b c a

-P 2ac 2ab

61

5-methanesulfonyl-N-methyl-2-nitroaniline

- C8 H10 N2 O4 S -

- C64 H80 N16 O32 S8 -

8

1

JZ1571

Zarychta, Bartosz; Daszkiewicz, Zdzisław; Kyzioł, Janusz B.; Zaleski, Jacek

Rearrangement products of 3-methanesulfonyl-N-methyl-N-nitroaniline

Acta Crystallographica Section C

2,003

59

10

o564

o566

10.1107/S0108270103017888

0.71073

MoKα

0.0459

0.0311

null

0.0857

0.1141

null

1.164

null

has coordinates,has Fobs

Zarychta, Bartosz; Daszkiewicz, Zdzisław; Kyzioł, Janusz B.; Zaleski, Jacek Rearrangement products of 3-methanesulfonyl-N-methyl-N-nitroaniline Acta Crystallographica Section C 59(10) (2003) o564-o566

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$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/2/01/36/2013639.cif $ #-------------------------------------------------------------------...

2,013,640

4.8653

0.001

8.873

0.002

18.739

0.003

90

null

90

null

90

null

809

0.3

100

null

100

null

3

P 21 21 21

P 2ac 2ab

19

D-mannitol

- C6 H14 O6 -

- C24 H56 O24 -

4

1

JZ1573

Fronczek, Frank R.; Kamel, Haidy Nasr; Slattery, Marc

Three polymorphs (α, β, and δ) of D-mannitol at 100K

Acta Crystallographica Section C

2,003

59

10

o567

o570

10.1107/S0108270103018961

0.71073

MoKα

0.084

0.054

null

0.116

0.128

null

1.066

null

has coordinates,has Fobs

Fronczek, Frank R.; Kamel, Haidy Nasr; Slattery, Marc Three polymorphs (α, β, and δ) of D-mannitol at 100K Acta Crystallographica Section C 59(10) (2003) o567-o570

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$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/2/01/36/2013640.cif $ #-------------------------------------------------------------------...

2,013,641

5.5381

0.001

8.58

0.002

16.795

0.005

90

null

90

null

90

null

798

0.3

100

null

100

null

3

P 21 21 21

P 2ac 2ab

19

D-mannitol

- C6 H14 O6 -

- C24 H56 O24 -

4

1

JZ1573

Fronczek, Frank R.; Kamel, Haidy Nasr; Slattery, Marc

Three polymorphs (α, β, and δ) of D-mannitol at 100K

Acta Crystallographica Section C

2,003

59

10

o567

o570

10.1107/S0108270103018961

0.71073

MoKα

0.046

0.036

null

0.092

0.095

null

1.08

null

has coordinates,has Fobs

Fronczek, Frank R.; Kamel, Haidy Nasr; Slattery, Marc Three polymorphs (α, β, and δ) of D-mannitol at 100K Acta Crystallographica Section C 59(10) (2003) o567-o570

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$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/2/01/36/2013641.cif $ #-------------------------------------------------------------------...

2,013,642

4.899

0.002

18.268

0.006

5.043

0.002

90

null

118.39

0.02

90

null

397

0.3

100

null

100

null

3

P 1 21 1

P 2yb

4

D-mannitol

- C6 H14 O6 -

- C12 H28 O12 -

2

1

JZ1573

Fronczek, Frank R.; Kamel, Haidy Nasr; Slattery, Marc

Three polymorphs (α, β, and δ) of D-mannitol at 100K

Acta Crystallographica Section C

2,003

59

10

o567

o570

10.1107/S0108270103018961

0.71073

MoKα

0.033

0.031

null

0.078

0.079

null

1.073

null

has coordinates,has Fobs

Fronczek, Frank R.; Kamel, Haidy Nasr; Slattery, Marc Three polymorphs (α, β, and δ) of D-mannitol at 100K Acta Crystallographica Section C 59(10) (2003) o567-o570

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$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/2/01/36/2013642.cif $ #-------------------------------------------------------------------...

2,013,643

9.1894

0.001

7.9653

0.0009

15.6683

0.0017

90

null

90

null

90

null

1,146.9

0.2

293

2

293

2

null

6

P b c a

-P 2ac 2ab

61

aquadichlorobis(1H-imidazole)cobalt(II)

- C6 H12 Cl2 Co N4 O2 -

- C24 H48 Cl8 Co4 N16 O8 -

4

0.5

JZ1575

Ana María Atria; Piedad Cortés; María Teresa Garland; Ricardo Baggio

Two isomorphous imidazole (Him) complexes: [MCl~2~(Him)~2~(H~2~O)~2~] (M=Co and Ni)

Acta Crystallographica Section C

2,003

59

10

m396

m398

10.1107/S0108270103018080

0.71073

MoKα

0.0368

0.0246

null

0.0562

0.0606

null

0.941

null

has coordinates

Ana María Atria; Piedad Cortés; María Teresa Garland; Ricardo Baggio Two isomorphous imidazole (Him) complexes: [MCl~2~(Him)~2~(H~2~O)~2~] (M=Co and Ni) Acta Crystallographica Section C 59(10) (2003) m396-m398

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/2/01/36/2013643.cif $ #-------------------------------------------------------------------...

2,013,644

9.1185

0.0007

7.9344

0.0006

15.5636

0.0012

90

null

90

null

90

null

1,126.02

0.15

293

2

293

2

null

6

P b c a

-P 2ac 2ab

61

aquadichlorobis(1H-imidazole)nickel(II)

- C6 H12 Cl2 N4 Ni O2 -

- C24 H48 Cl8 N16 Ni4 O8 -

4

0.5

JZ1575

Ana María Atria; Piedad Cortés; María Teresa Garland; Ricardo Baggio

Two isomorphous imidazole (Him) complexes: [MCl~2~(Him)~2~(H~2~O)~2~] (M=Co and Ni)

Acta Crystallographica Section C

2,003

59

10

m396

m398

10.1107/S0108270103018080

0.71073

MoKα

0.0368

0.0283

null

0.0594

0.0616

null

1.27

null

has coordinates

Ana María Atria; Piedad Cortés; María Teresa Garland; Ricardo Baggio Two isomorphous imidazole (Him) complexes: [MCl~2~(Him)~2~(H~2~O)~2~] (M=Co and Ni) Acta Crystallographica Section C 59(10) (2003) m396-m398

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/2/01/36/2013644.cif $ #-------------------------------------------------------------------...

2,013,645

6.71

0.003

6.767

0.004

8.059

0.005

71.51

0.04

84.68

0.05

70.16

0.03

326.4

0.3

293

2

293

2

null

5

P 1

1

Dicyano{[(1S)-(1-phenylethyl)aziridin-2-yl]methanolato-κ^2^N,O}boron

- C13 H14 B N3 O -

1

JZ1576

Yongkwan Dong; Hoseop Yun; Chan Sun Park; Won Koo Lee; Hyun-Joon Ha

Dicyano{[(1S)-(1-phenylethyl)aziridin-2-yl]methanolato-κ^2^N,O}boron

Acta Crystallographica Section C

2,003

59

12

o659

o660

10.1107/S0108270103022698

0.71073

MoKα

0.0339

0.0326

null

0.0888

0.0902

null

1.079

null

has coordinates,has Fobs

Yongkwan Dong; Hoseop Yun; Chan Sun Park; Won Koo Lee; Hyun-Joon Ha Dicyano{[(1S)-(1-phenylethyl)aziridin-2-yl]methanolato-κ^2^N,O}boron Acta Crystallographica Section C 59(12) (2003) o659-o660

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$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/2/01/36/2013645.cif $ #-------------------------------------------------------------------...

2,013,646

19.9194

0.0017

8.6554

0.0007

14.6049

0.0014

90

null

91.208

0.007

90

null

2,517.5

0.4

170

2

170

2

null

5

C 1 2/c 1

-C 2yc

15

(18-crown-6)potassium pentaiodide

(1,4,7,10,13,16-Hexaoxacyclooctadecane)potassium pentaiodide

- C12 H24 I5 K O6 -

- C48 H96 I20 K4 O24 -

4

0.5

JZ1580

Pantenburg, Ingo; Müller, Ingrid

Isolated pentaiodide anions in [K(18-crown-6)]I~5~

Acta Crystallographica Section C

2,003

59

10

m427

m428

10.1107/S010827010301953X

0.71073

MoKα

0.034

0.024

null

0.054

0.057

null

1.016

null

has coordinates,has Fobs

Pantenburg, Ingo; Müller, Ingrid Isolated pentaiodide anions in [K(18-crown-6)]I~5~ Acta Crystallographica Section C 59(10) (2003) m427-m428

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$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/2/01/36/2013646.cif $ #-------------------------------------------------------------------...

2,013,647

7.0429

0.0008

4.8135

0.0006

10.9047

0.0012

90

null

96.885

0.003

90

null

367.01

0.07

133

2

133

2

null

5

P 1 n 1

P -2yac

7

Ammonium [(carboxymethyl)thio]acetate

- C4 H9 N O4 S -

- C8 H18 N2 O8 S2 -

2

1

JZ1581

Maurin, Jan K.; Pawłowski, Michał; Czarnocki, Zbigniew

Pseudosymmetry in ammonium [(carboxymethyl)sulfanyl]acetate

Acta Crystallographica Section C

2,003

59

11

o656

o658

10.1107/S010827010302287X

0.71073

MoKα

0.026

null

0.073

0.074

null

1.066

null

has coordinates,has Fobs

Maurin, Jan K.; Pawłowski, Michał; Czarnocki, Zbigniew Pseudosymmetry in ammonium [(carboxymethyl)sulfanyl]acetate Acta Crystallographica Section C 59(11) (2003) o656-o658

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$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/2/01/36/2013647.cif $ #-------------------------------------------------------------------...

2,013,648

8.2384

0.0007

10.0582

0.0009

8.9323

0.0008

90

null

94.477

0.007

90

null

737.9

0.11

100

0.2

100

0.2

null

4

P 1 21/c 1

-P 2ybc

14

Bis(glycylglycinium) oxalate

- C10 H18 N4 O10 -

- C20 H36 N8 O20 -

2

0.5

LN1172

Ejsmont, Krzysztof; Zaleski, Jacek; Joe, Isaac H.; Jayakumar, Victor S.

Bis(glycylglycinium) oxalate at 100K

Acta Crystallographica Section C

2,003

59

10

o553

o555

10.1107/S0108270103018031

0.71073

MoKα

0.034

0.029

null

0.075

0.078

null

1.083

null

has coordinates,has Fobs

Ejsmont, Krzysztof; Zaleski, Jacek; Joe, Isaac H.; Jayakumar, Victor S. Bis(glycylglycinium) oxalate at 100K Acta Crystallographica Section C 59(10) (2003) o553-o555

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$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/2/01/36/2013648.cif $ #-------------------------------------------------------------------...

2,013,649

11.001

0.002

8.307

0.002

13.332

0.003

90

null

90.39

0.03

90

null

1,218.3

0.5

296

1

296

1

null

3

P 1 21 1

P 2yb

4

dibothrioclinin I

(+)-(11R,12S,25R,27S)-3,3,7,17,21-pentamethyl-4,12,18,26- tetraoxaheptacyclo[15.11.1.0^2,15^.0^5,14^.0^6,11^.0^19,28^.0^20,25^] nonacosa-5(14),6,8,10,19(28),20,22,24-octaene-13,27-dione

- C30 H28 O6 -

- C60 H56 O12 -

2

1

LN1173

Wang, Cheng; Zheng, Qitai; Lu, Yang; Xiao, Ying; Li, Jianbei; Ding, Yi

Dibothrioclinin I and II, epimers from Gerbera piloselloides (L.) Cass

Acta Crystallographica Section C

2,003

59

10

o593

o595

10.1107/S010827010301864X

0.71073

MoKα

0.054

null

0.138

null

1.228

null

has coordinates,has Fobs

Wang, Cheng; Zheng, Qitai; Lu, Yang; Xiao, Ying; Li, Jianbei; Ding, Yi Dibothrioclinin I and II, epimers from Gerbera piloselloides (L.) Cass Acta Crystallographica Section C 59(10) (2003) o593-o595

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$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/2/01/36/2013649.cif $ #-------------------------------------------------------------------...

2,013,650

15.517

0.003

19.411

0.004

7.963

0.002

90

null

102.9

0.03

90

null

2,337.9

0.9

296

2

296

1

null

3

P 1 21/c 1

-P 2ybc

14

dibothrioclinin II

(±)-(11RS,12RS,25RS,27SR)-3,3,7,17,21-pentamethyl-4,12,18,26- tetraoxaheptacyclo[15.11.1.0^2,15^.0^5,14^.0^6,11^.0^19,28^.0^20,25^] nonacosa-5(14),6,8,10,19(28),20,22,24-octaene-13,27-dione

- C30 H28 O6 -

- C120 H112 O24 -

4

1

LN1173

Wang, Cheng; Zheng, Qitai; Lu, Yang; Xiao, Ying; Li, Jianbei; Ding, Yi

Dibothrioclinin I and II, epimers from Gerbera piloselloides (L.) Cass

Acta Crystallographica Section C

2,003

59

10

o593

o595

10.1107/S010827010301864X

0.71073

MoKα

0.124

0.057

null

0.134

0.161

null

0.839

null

has coordinates,has Fobs

Wang, Cheng; Zheng, Qitai; Lu, Yang; Xiao, Ying; Li, Jianbei; Ding, Yi Dibothrioclinin I and II, epimers from Gerbera piloselloides (L.) Cass Acta Crystallographica Section C 59(10) (2003) o593-o595

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$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/2/01/36/2013650.cif $ #-------------------------------------------------------------------...

2,013,651

7.254

0.001

24.115

0.003

11.565

0.002

90

null

94.22

0.01

90

null

2,017.6

0.5

160

2

160

2

null

4

P 1 21/n 1

-P 2yn

14

C.I. Pigment Red 266

4-{[4-(aminocarbonyl)phenyl]hydrazono}-N-(2-methoxyphenyl)-3-oxo- 3,4-dihydronaphthalene-2-carboxamide

- C25 H20 N4 O4 -

- C100 H80 N16 O16 -

4

1

LN1174

Chang, Chia-Hsien; Christie, Robert M.; Rosair, Georgina M.

C.I. Pigment Red 266

Acta Crystallographica Section C

2,003

59

10

o556

o558

10.1107/S0108270103017906

0.71073

MoKα

0.0581

0.0418

null

0.101

0.1103

null

1.01

null

has coordinates,has Fobs

Chang, Chia-Hsien; Christie, Robert M.; Rosair, Georgina M. C.I. Pigment Red 266 Acta Crystallographica Section C 59(10) (2003) o556-o558

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$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/2/01/36/2013651.cif $ #-------------------------------------------------------------------...

2,013,652

22.746

0.002

9.699

0.001

23.439

0.003

90

null

102.296

0.01

90

null

5,052.3

1

160

2

160

2

null

4

C 1 2/c 1

-C 2yc

15

2-carboxy-1,2-dicarba-1-methoxymethyl-closo-dodecaborane(12)

- C5 H16 B10 O3 -

- C80 H256 B160 O48 -

16

2

LN1176

Venkatasubramanian, Ulaganathan; Ellis, David; Rosair, Georgina M.; Welch, Alan J.

Crystal engineering with heteroboranes. III. 2-Carboxy-1-methoxymethyl-1,2-dicarba-closo-dodecaborane(12)

Acta Crystallographica Section C

2,003

59

10

o586

o588

10.1107/S0108270103019048

0.71073

MoKα

0.057

0.047

null

0.121

0.129

null

1.026

null

has coordinates,has Fobs

Venkatasubramanian, Ulaganathan; Ellis, David; Rosair, Georgina M.; Welch, Alan J. Crystal engineering with heteroboranes. III. 2-Carboxy-1-methoxymethyl-1,2-dicarba-closo-dodecaborane(12) Acta Crystallographica Section C 59(10) (2003) o586-o588

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/2/01/36/2013652.cif $ #-------------------------------------------------------------------...

2,013,653

10.6193

0.0002

12.7441

0.001

20.7526

0.0003

72.922

0.009

76.449

0.009

77.159

0.01

2,574.1

0.3

193.15

null

193.15

null

8

P -1

-P 1

2

Bis(tetraphenylphosphonium) (μ-tetrathiotungstenio-κ^4^S,S':S'':S''')bis[(cyano-κC)cuprate](2-) acetonitrile solvate monohydrate

- C52 H45 Cu2 N3 O P2 S4 W -

- C104 H90 Cu4 N6 O2 P4 S8 W2 -

2

1

LN1179

Qiao, Shan-Bao; Jiao, Chang-Mei; Xu, Qing-Feng; Zhang, Yong; Li, Bao-Long; Lang, Jian-Ping

Bis(tetraphenylphosphonium) (μ-tetrathiotungstenio-κ^4^S,S':S'':S''')bis[(cyano-κC)cuprate](2‒) acetonitrile solvate monohydrate

Acta Crystallographica Section C

2,003

59

11

m465

m466

10.1107/S0108270103022078

0.71073

MoKα

0.0465

0.0388

null

0.0854

0.089

null

1.017

null

has coordinates,has Fobs

Qiao, Shan-Bao; Jiao, Chang-Mei; Xu, Qing-Feng; Zhang, Yong; Li, Bao-Long; Lang, Jian-Ping Bis(tetraphenylphosphonium) (μ-tetrathiotungstenio-κ^4^S,S':S'':S''')bis[(cyano-κC)cuprate](2‒) acetonitrile solvate monohydrate Acta Crystallographica Section C 59(11) (2003) m465-m466

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/2/01/36/2013653.cif $ #-------------------------------------------------------------------...

2,013,654

7.8352

0.0009

10.73

0.0013

13.1342

0.0015

94.222

0.002

99.965

0.002

108.593

0.002

1,020.9

0.2

293

2

273

2

null

5

P -1

-P 1

2

2-{[(1Z)-(4-dimethylaminophenyl)methylene]amino}-4,5-dimethyl- N-(2-methylphenyl)thiophene-3-carboxamide

- C23 H25 N3 O S -

- C46 H50 N6 O2 S2 -

2

1

LN1181

Vasu; K. A. Nirmala; A. R. Choudhury; S. Mohan; J. Saravanan; T. Narasimhamurthy

Two biologically active thiophene-3-carboxamide derivatives

Acta Crystallographica Section C

2,003

59

12

o676

o678

10.1107/S0108270103023205

0.71073

MoKα

0.1735

0.0657

null

0.1005

0.1277

null

0.943

null

has coordinates,has Fobs

Vasu; K. A. Nirmala; A. R. Choudhury; S. Mohan; J. Saravanan; T. Narasimhamurthy Two biologically active thiophene-3-carboxamide derivatives Acta Crystallographica Section C 59(12) (2003) o676-o678

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$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/2/01/36/2013654.cif $ #-------------------------------------------------------------------...

2,013,655

8.016

0.002

21.255

0.006

25.651

0.007

90

null

98.378

0.005

90

null

4,324

2

293

2

293

2

null

5

P 1 21/n 1

-P 2yn

14

2-({(1E)-[4-(dimethylamino)phenyl]methylene}amino)- N-(4-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

- C25 H27 N3 O S -

- C200 H216 N24 O8 S8 -

8

2

LN1181

Vasu; K. A. Nirmala; A. R. Choudhury; S. Mohan; J. Saravanan; T. Narasimhamurthy

Two biologically active thiophene-3-carboxamide derivatives

Acta Crystallographica Section C

2,003

59

12

o676

o678

10.1107/S0108270103023205

0.71073

MoKα

0.0866

0.059

null

0.15

0.1646

null

1.062

null

has coordinates,has Fobs

Vasu; K. A. Nirmala; A. R. Choudhury; S. Mohan; J. Saravanan; T. Narasimhamurthy Two biologically active thiophene-3-carboxamide derivatives Acta Crystallographica Section C 59(12) (2003) o676-o678

301,798

2025-08-19

6:42:14

#------------------------------------------------------------------------------ #$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/2/01/36/2013655.cif $ #-------------------------------------------------------------------...

2,013,656

9.3376

0.0014

9.3376

0.0014

6.7321

0.001

90

null

90

null

120

null

508.34

0.13

295

1

295

1

null

4

P 63/m

-P 6c

176

- Li O26 Si6 Y9 -

1

0.083333

LN1182

Redhammer, Günther R.; Roth, G.

Lithium and sodium yttrium orthosilicate oxyapatite, LiY~9~(SiO~4~)~6~O~2~ and NaY~9~(SiO~4~)~6~O~2~, at both 100K and near room temperature

Acta Crystallographica Section C

2,003

59

12

i120

i124

10.1107/S0108270103023321

0.71073

MoKα

null

0.0312

null

0.0542

null

1.067

null

has coordinates,has Fobs

Redhammer, Günther R.; Roth, G. Lithium and sodium yttrium orthosilicate oxyapatite, LiY~9~(SiO~4~)~6~O~2~ and NaY~9~(SiO~4~)~6~O~2~, at both 100K and near room temperature Acta Crystallographica Section C 59(12) (2003) i120-i124

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/2/01/36/2013656.cif $ #-------------------------------------------------------------------...

2,013,657

9.3108

0.0014

9.3108

0.0014

6.7088

0.001

90

null

90

null

120

null

503.67

0.13

100

1

100

1

null

4

P 63/m

-P 6c

176

- Li O26 Si6 Y9 -

1

0.083333

LN1182

Redhammer, Günther R.; Roth, G.

Lithium and sodium yttrium orthosilicate oxyapatite, LiY~9~(SiO~4~)~6~O~2~ and NaY~9~(SiO~4~)~6~O~2~, at both 100K and near room temperature

Acta Crystallographica Section C

2,003

59

12

i120

i124

10.1107/S0108270103023321

0.71073

MoKα

null

0.0242

null

0.0412

null

1.158

null

has coordinates,has Fobs

Redhammer, Günther R.; Roth, G. Lithium and sodium yttrium orthosilicate oxyapatite, LiY~9~(SiO~4~)~6~O~2~ and NaY~9~(SiO~4~)~6~O~2~, at both 100K and near room temperature Acta Crystallographica Section C 59(12) (2003) i120-i124

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/2/01/36/2013657.cif $ #-------------------------------------------------------------------...

2,013,658

9.3386

0.001

9.3386

0.001

6.7589

0.0008

90

null

90

null

120

null

510.47

0.1

270

1

270

1

null

4

P 63/m

-P 6c

176

- Na O26 Si6 Y9 -

1

0.083333

LN1182

Redhammer, Günther R.; Roth, G.

Lithium and sodium yttrium orthosilicate oxyapatite, LiY~9~(SiO~4~)~6~O~2~ and NaY~9~(SiO~4~)~6~O~2~, at both 100K and near room temperature

Acta Crystallographica Section C

2,003

59

12

i120

i124

10.1107/S0108270103023321

0.71073

MoKα

null

0.0352

null

0.0532

null

1.203

null

has coordinates,has Fobs

Redhammer, Günther R.; Roth, G. Lithium and sodium yttrium orthosilicate oxyapatite, LiY~9~(SiO~4~)~6~O~2~ and NaY~9~(SiO~4~)~6~O~2~, at both 100K and near room temperature Acta Crystallographica Section C 59(12) (2003) i120-i124

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/2/01/36/2013658.cif $ #-------------------------------------------------------------------...

2,013,659

9.3274

0.001

9.3274

0.001

6.7554

0.0007

90

null

90

null

120

null

508.98

0.09

100

1

100

1

null

4

P 63/m

-P 6c

176

- Na O26 Si6 Y9 -

1

0.083333

LN1182

Redhammer, Günther R.; Roth, G.

Lithium and sodium yttrium orthosilicate oxyapatite, LiY~9~(SiO~4~)~6~O~2~ and NaY~9~(SiO~4~)~6~O~2~, at both 100K and near room temperature

Acta Crystallographica Section C

2,003

59

12

i120

i124

10.1107/S0108270103023321

0.71073

MoKα

null

0.0356

null

0.0566

null

1.204

null

has coordinates,has Fobs

Redhammer, Günther R.; Roth, G. Lithium and sodium yttrium orthosilicate oxyapatite, LiY~9~(SiO~4~)~6~O~2~ and NaY~9~(SiO~4~)~6~O~2~, at both 100K and near room temperature Acta Crystallographica Section C 59(12) (2003) i120-i124

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/2/01/36/2013659.cif $ #-------------------------------------------------------------------...