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

2,011,161

8.9944

0.0009

16.257

0.002

10.519

0.001

90

0.009

103.08

0.01

90

0.009

1,498.2

0.3

293

null

293

null

2

P 1 21/c 1

-P 2ybc

14

2,2'-bi(9,9-dipropylfluorene)

- C38 H42 -

- C76 H84 -

2

0.5

QA0308

Suchod, Bernadette; Stéphan, Olivier; Kervella, Yann

2,2'-Bi(9,9-di-n-propylfluorene)

Acta Crystallographica Section C

2,000

56

7

e297

10.1107/S010827010000768X

0.71073

MoKα

0.087

0.076

null

0.047

null

0.045

null

1.127

null

1.183

null

has coordinates,has Fobs

Suchod, Bernadette; Stéphan, Olivier; Kervella, Yann 2,2'-Bi(9,9-di-n-propylfluorene) Acta Crystallographica Section C 56(7) (2000) e297-e297

301,798

2025-08-19

6:41:47

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2,011,162

7.582

0.001

19.19

0.003

8.143

0.001

90

null

109.95

0.01

90

null

1,113.7

0.3

293

2

293

2

null

5

P 1 21/c 1

-P 2ybc

14

Phthalimido-3-iodo propane

- C11 H10 I N O2 -

- C44 H40 I4 N4 O8 -

4

1

QA0309

Chandramohan, Kattamuri; Ravikumar, Krishnan; Rajendar, Shenigarapu

N-(3-Iodopropyl)phthalimide

Acta Crystallographica Section C

2,000

56

7

e298

e299

10.1107/S0108270100007691

0.71073

MoKα

0.048

0.036

null

0.099

null

0.092

null

1.139

null

1.183

null

has coordinates,has Fobs

Chandramohan, Kattamuri; Ravikumar, Krishnan; Rajendar, Shenigarapu N-(3-Iodopropyl)phthalimide Acta Crystallographica Section C 56(7) (2000) e298-e299

301,798

2025-08-19

6:41:47

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2,011,163

13.4315

0.0001

10.3779

0.0002

10.256

0.0002

90

null

106.216

0.001

90

null

1,372.72

0.04

293

2

293

2

null

5

P 1 21/c 1

-P 2ybc

14

N-(6-Bromo-4-oxo-3,4-dihydropteridin-2-yl)-2,2-dimethylpropanamide

- C11 H12 Br N5 O2 -

- C44 H48 Br4 N20 O8 -

4

1

QA0311

Shanmuga Sundara Raj, S.; Razak, Ibrahim Abdul; Fun, Hoong-Kun; Goswami, Shyamaprosad; Mukherjee, Reshmi; Adak, Avijit

N-(6-Bromo-4-oxo-3,4-dihydropteridin-2-yl)-2,2-dimethylpropanamide

Acta Crystallographica Section C

2,000

56

7

e302

e303

10.1107/S0108270100007861

0.71073

MoKα

0.096

0.054

null

0.128

null

0.935

null

has coordinates,has disorder,has Fobs

Shanmuga Sundara Raj, S.; Razak, Ibrahim Abdul; Fun, Hoong-Kun; Goswami, Shyamaprosad; Mukherjee, Reshmi; Adak, Avijit N-(6-Bromo-4-oxo-3,4-dihydropteridin-2-yl)-2,2-dimethylpropanamide Acta Crystallographica Section C 56(7) (2000) e302-e303

301,798

2025-08-19

6:41:47

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2,011,164

7.537

0.004

13.602

0.008

12.779

0.005

90

null

94.57

0.02

90

null

1,305.9

1.2

293

2

293

2

null

3

P 1 21/c 1

-P 2ybc

14

6-Dimethoxymethyl-1-methoxycarbonylbicyclo[3.1.0]hex-2-ene-2-carboxylic acid

- C12 H16 O6 -

- C48 H64 O24 -

4

1

QA0312

Niwayama, Satomi; Holt, Elizabeth M.

6-Dimethoxymethyl-1-methoxycarbonylbicyclo[3.1.0]hex-2-ene-2-carboxylic acid

Acta Crystallographica Section C

2,000

56

7

e300

e301

10.1107/S0108270100007757

0.71073

MoKα

0.095

0.067

null

0.233

null

0.992

null

has coordinates

Niwayama, Satomi; Holt, Elizabeth M. 6-Dimethoxymethyl-1-methoxycarbonylbicyclo[3.1.0]hex-2-ene-2-carboxylic acid Acta Crystallographica Section C 56(7) (2000) e300-e301

301,798

2025-08-19

6:41:47

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2,011,165

12.2892

0.0004

13.1612

0.0005

19.3696

0.0007

95.512

0.001

103.177

0.001

116.801

0.001

2,650.47

0.17

293

2

293

2

null

7

P -1

-P 1

2

N,N-bis(2-hydroxyethyl)dithiocarbamatobis(triphenylphosphine) Copper(I) Triphenylphosphine

- C59 H55 Cu N O2 P3 S2 -

- C118 H110 Cu2 N2 O4 P6 S4 -

2

1

QA0313

Jian, Fangfang; Bei, Fengli; Lu, Lude; Yang, Xujie; Wang, Xin; Razak, Ibrahim Abdul; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun

[N,N-Bis(2-hydroxyethyl)dithiocarbamato-S]bis(triphenylphosphine-P)copper(I) triphenylphosphine solvate

Acta Crystallographica Section C

2,000

56

7

e288

e289

10.1107/S0108270100007873

0.71073

MoKα

0.128

0.057

null

0.139

null

0.86

null

has coordinates,has disorder,has Fobs

Jian, Fangfang; Bei, Fengli; Lu, Lude; Yang, Xujie; Wang, Xin; Razak, Ibrahim Abdul; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun [N,N-Bis(2-hydroxyethyl)dithiocarbamato-S]bis(triphenylphosphine-P)copper(I) triphenylphosphine solvate Acta Crystallographica Section C 56(7) (2000) e288-e289

176,760

2020-10-21

18:00:00

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2,011,166

20.709

0.004

9.968

0.002

23.66

0.005

90

null

101.04

0.03

90

null

4,793.7

1.7

293

2

293

2

null

7

C 1 2/c 1

-C 2yc

15

tetrakis(ethylenediammonium) tetra-μ-hydrogenphosphato-di-μ-hydroxo- tetra-μ-phosphato-bis(aquacobalt)hexakis(oxovanadium) trihydrate

- C8 H56 Co N8 O45 P8 V6 -

- C8 H40 Co N8 O45 P8 V6 -

- C32 H160 Co4 N32 O180 P32 V24 -

4

0.5

QA0314

Luan, Guo-You; Wang, En-Bo; You, Wan-Sheng; Xu, Lin; He, Qin-Lin

A hydrated ethylenediammonium salt of a new polymeric polyoxoanion: (H~2~en)~4~[Co(H~2~O)~2~(OH)~2~(VO)~6~(HPO~4~)~4~(PO~4~)~4~]·3H~2~O

Acta Crystallographica Section C

2,000

56

7

e284

e285

10.1107/S0108270100007769

0.71073

MoKα

0.054

0.046

null

0.137

0.134

null

1.123

1.211

null

has coordinates

Luan, Guo-You; Wang, En-Bo; You, Wan-Sheng; Xu, Lin; He, Qin-Lin A hydrated ethylenediammonium salt of a new polymeric polyoxoanion: (H~2~en)~4~[Co(H~2~O)~2~(OH)~2~(VO)~6~(HPO~4~)~4~(PO~4~)~4~]·3H~2~O Acta Crystallographica Section C 56(7) (2000) e284-e285

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/2/01/11/2011166.cif $ #-------------------------------------------------------------------...

2,011,167

7.842

0.002

11.458

0.003

8.824

0.002

90

null

114.26

0.03

90

null

722.9

0.4

180

2

180

2

null

3

P 1 21/c 1

-P 2ybc

14

2,4,6,2',4',6'-Hexamethyl-4H,4'H[4,4']bipyranyl

- C16 H22 O2 -

- C32 H44 O4 -

2

0.5

QA0317

Ziemer, Burkhard; Grubert, Lutz

2,2',4,4',6,6'-Hexamethyl-4,4'-bi[4H-pyranyl]

Acta Crystallographica Section C

2,000

56

7

e304

10.1107/S0108270100007885

0.71073

MoKα

0.054

0.044

null

0.119

null

1.039

null

has coordinates,has disorder,has Fobs

Ziemer, Burkhard; Grubert, Lutz 2,2',4,4',6,6'-Hexamethyl-4,4'-bi[4H-pyranyl] Acta Crystallographica Section C 56(7) (2000) e304-e304

301,798

2025-08-19

6:41:47

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2,011,168

16.015

0.003

10.219

0.003

24.275

0.005

90

null

93.94

0.03

90

null

3,963.4

1.6

293

2

293

2

null

5

C 1 2/c 1

-C 2yc

15

Di-μ-diethylamido-N:N-bis[chlorodimethyltin(IV)]

- C12 H32 Cl2 N2 Sn2 -

- C96 H256 Cl16 N16 Sn16 -

8

1

QA0318

Barreca, Davide; Benetollo, Franco; Garon, Simona; Tondello, Eugenio; Zanella, Pierino

The chloro(diethylamino)dimethyltin dimer

Acta Crystallographica Section C

2,000

56

7

e290

e291

10.1107/S0108270100007897

0.71073

MoKα

0.056

null

0.14

null

1.209

null

has coordinates

Barreca, Davide; Benetollo, Franco; Garon, Simona; Tondello, Eugenio; Zanella, Pierino The chloro(diethylamino)dimethyltin dimer Acta Crystallographica Section C 56(7) (2000) e290-e291

176,760

2020-10-21

18:00:00

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2,011,169

8.4691

0.0009

10.3985

0.0008

12.4538

0.0015

90

null

90

null

90

null

1,096.8

0.2

150

null

150

null

4

P 21 21 21

P 2ac 2ab

19

(1R,4bS,8aR)-(1,2,3,4b,5,6,7,8,8a,9a-Decahydro-4,9a-diazafluoren-1-yl)methanol

- C12 H20 N2 O -

- C48 H80 N8 O4 -

4

1

QA0321

Kooijman, Huub; Spek, Anthony L.

(1R,4bS,8aR)-(1,2,3,4b,5,6,7,8,8a,9a-Decahydro-4,9a-diazafluoren-1-yl)methanol

Acta Crystallographica Section C

2,000

56

7

e295

e296

10.1107/S0108270100007678

0.71073

MoKα

0.089

0.05

null

0.104

null

0.993

null

has coordinates,has Fobs

Kooijman, Huub; Spek, Anthony L. (1R,4bS,8aR)-(1,2,3,4b,5,6,7,8,8a,9a-Decahydro-4,9a-diazafluoren-1-yl)methanol Acta Crystallographica Section C 56(7) (2000) e295-e296

301,798

2025-08-19

6:41:47

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2,011,170

13.3847

0.0001

18.2966

0.0003

8.978

0.0001

90

null

105.296

0.001

90

null

2,120.78

0.05

298

2

298

2

null

5

P 1 21/c 1

-P 2ybc

14

Dicyclohexylammonium) 2,4-dichlorophenoxyacetate

- C20 H29 Cl2 N O3 -

- C80 H116 Cl8 N4 O12 -

4

1

QA0322

Subramanian, Ramis Rao; Anandan, Shanmuga S.; Kwek, Kuan Hiang; Low, Kum Sang; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Razak, Ibrahim Abdul; Hanna, John V.; Ng, Seik Weng

Dicyclohexylammonium 2,4-dichlorophenoxyacetate and (2,4-dichlorophenoxyacetato-O,O')bis(triphenylphosphine-P)silver(I)

Acta Crystallographica Section C

2,000

56

7

e292

e294

10.1107/S0108270100007903

0.71073

MoKα

0.09

0.063

null

0.198

null

1.064

null

has coordinates,has Fobs

Subramanian, Ramis Rao; Anandan, Shanmuga S.; Kwek, Kuan Hiang; Low, Kum Sang; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Razak, Ibrahim Abdul; Hanna, John V.; Ng, Seik Weng Dicyclohexylammonium 2,4-dichlorophenoxyacetate and (2,4-dichlorophenoxyacetato-O,O')bis(triphenylphosphine-P)silver(I) Acta C...

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/2/01/11/2011170.cif $ #-------------------------------------------------------------------...

2,011,171

13.45

0.0002

25.8202

0.0004

11.7071

0.0002

90

null

96.79

0.001

90

null

4,037.15

0.11

298

2

298

2

null

6

P 1 21/c 1

-P 2ybc

14

Bis(triphenylphosphine)(2,4-dichlorophenoxyacetato)silver(I)

- C44 H35 Ag Cl2 O3 P2 -

- C176 H140 Ag4 Cl8 O12 P8 -

4

1

QA0322

Subramanian, Ramis Rao; Anandan, Shanmuga S.; Kwek, Kuan Hiang; Low, Kum Sang; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Razak, Ibrahim Abdul; Hanna, John V.; Ng, Seik Weng

Dicyclohexylammonium 2,4-dichlorophenoxyacetate and (2,4-dichlorophenoxyacetato-O,O')bis(triphenylphosphine-P)silver(I)

Acta Crystallographica Section C

2,000

56

7

e292

e294

10.1107/S0108270100007903

0.71073

MoKα

0.057

0.042

null

0.11

null

0.972

null

has coordinates,has disorder,has Fobs

Subramanian, Ramis Rao; Anandan, Shanmuga S.; Kwek, Kuan Hiang; Low, Kum Sang; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Razak, Ibrahim Abdul; Hanna, John V.; Ng, Seik Weng Dicyclohexylammonium 2,4-dichlorophenoxyacetate and (2,4-dichlorophenoxyacetato-O,O')bis(triphenylphosphine-P)silver(I) Acta C...

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/2/01/11/2011171.cif $ #-------------------------------------------------------------------...

2,011,172

10.455

0.002

12.41

0.002

10.592

0.002

90

null

115.077

0.01

90

null

1,244.7

0.4

100

null

100

null

6

P 1 21 1

P 2yb

4

phenylmethyl 5-(6,8-diaza-6-(2-diethoxyphosphono) acetyl)-7-oxo-3-thiabicyclo [3.3.0] oct-2-yl) pentanoate

- C23 H33 N2 O7 P S -

- C46 H66 N4 O14 P2 S2 -

2

1

QA0325

Amspacher, David R.; Blanchard, Carol Z.; Saraiva, Marcelo C.; Waldrop, Grover L.; Strongin, Robert M.; Fronczek, Frank R.

Benzyl 5-{2-[2-(diethoxyphosphinoyl)acetyl]-3-oxo-7-thia-2,4-diazabicyclo[3.3.0]oct-6-yl}pentanoate, a novel biotin derivative

Acta Crystallographica Section C

2,000

56

7

e305

e306

10.1107/S0108270100007915

0.71073

Mo-Kα

0.057

0.04

null

0.101

null

1.12

null

has coordinates,has Fobs

Amspacher, David R.; Blanchard, Carol Z.; Saraiva, Marcelo C.; Waldrop, Grover L.; Strongin, Robert M.; Fronczek, Frank R. Benzyl 5-{2-[2-(diethoxyphosphinoyl)acetyl]-3-oxo-7-thia-2,4-diazabicyclo[3.3.0]oct-6-yl}pentanoate, a novel biotin derivative Acta Crystallographica Section C 56(7) (2000) e305-e306

301,798

2025-08-19

6:41:47

#------------------------------------------------------------------------------ #$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/2/01/11/2011172.cif $ #-------------------------------------------------------------------...

2,011,173

13.824

0.005

13.824

0.005

13.824

0.005

90

null

90

null

90

null

2,641.8

1.7

293

2

293

2

null

5

F m -3 m

-F 4 2 3

225

tetramethylammonium hexamolybdate hydrate

- C8 H26 Mo6 N2 O20 -

- C8 H25.98 Mo6 N2 O20 -

- C32 H103.92 Mo24 N8 O80 -

4

0.020833

QB0194

Strukan, Neven; Cindrić, Marina; Devčić, Maja; Giester, Gerald; Kamenar, Boris

Bis(tetramethylammonium) hexamolybdate hydrate, [(CH~3~)~4~N]~2~[Mo~6~O~19~]·H~2~O

Acta Crystallographica Section C

2,000

56

7

e278

e279

10.1107/S0108270100007630

0.71069

MoKα

0.031

0.025

null

0.064

null

1.194

null

has coordinates,has Fobs

Strukan, Neven; Cindrić, Marina; Devčić, Maja; Giester, Gerald; Kamenar, Boris Bis(tetramethylammonium) hexamolybdate hydrate, [(CH~3~)~4~N]~2~[Mo~6~O~19~]·H~2~O Acta Crystallographica Section C 56(7) (2000) e278-e279

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/2/01/11/2011173.cif $ #-------------------------------------------------------------------...

2,011,174

10.642

0.003

11.719

0.002

10.977

0.003

90

null

108.04

0.02

90

null

1,301.7

0.6

293

2

293

2

null

3

P 1 21 1

P 2yb

4

1a,2a-Epoxy-24(R)-acyloxycholesta-4,6-dien-3-one hydrate

- C29 H44 O5 -

- C58 H88 O10 -

2

1

QB0203

Rajalakshmi, K.; Pattabhi, Vasantha; Venkatesan, C. S.; Nadamuni, G.; Srikrishna, A.

24(R)-Acetyloxy-1α,2α-epoxycholesta-4,6-dien-3-one hydrate

Acta Crystallographica Section C

2,000

56

7

e307

e308

10.1107/S0108270100007927

1.5418

CuKα

0.072

0.056

null

0.162

null

1.123

null

has coordinates,has Fobs

Rajalakshmi, K.; Pattabhi, Vasantha; Venkatesan, C. S.; Nadamuni, G.; Srikrishna, A. 24(R)-Acetyloxy-1α,2α-epoxycholesta-4,6-dien-3-one hydrate Acta Crystallographica Section C 56(7) (2000) e307-e308

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/2/01/11/2011174.cif $ #-------------------------------------------------------------------...

2,011,175

10.005

0.005

16.449

0.005

8.186

0.005

90

0.2

105.8

0.2

90

0.2

1,296.3

1.7

298

null

4

P 1 21/c 1

-P 2ybc

14

- C16 H15 N O3 -

- C64 H60 N4 O12 -

4

1

QB0205

Thinapong, Pongchan; Rangsiman, Orapin; Tuchinda, Patoomratana; Munyoo, Bamroong; Pohmakotr, Manat; Reutrakul, Vichai

9,10-Dimethoxy-4-methyl-1,2-dihydro-1-azaanthracen-2-one (kalasinamide), a new azaanthracene alkaloid

Acta Crystallographica Section C

2,000

56

7

e309

e310

10.1107/S0108270100008064

0.7093

MoKα

0.068

0.053

null

0.163

null

1.069

null

has coordinates,has Fobs

Thinapong, Pongchan; Rangsiman, Orapin; Tuchinda, Patoomratana; Munyoo, Bamroong; Pohmakotr, Manat; Reutrakul, Vichai 9,10-Dimethoxy-4-methyl-1,2-dihydro-1-azaanthracen-2-one (kalasinamide), a new azaanthracene alkaloid Acta Crystallographica Section C 56(7) (2000) e309-e310

301,798

2025-08-19

6:41:47

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2,011,176

11.226

0.002

17.836

0.002

12.932

0.002

90

null

111.32

0.01

90

null

2,412.1

0.7

296

null

6

P 1 21/n 1

-P 2yn

14

Bis[methylenebis(diphenylphosphine)-P,P']nickel(II) diperchlorate

- C50 H44 Cl2 Ni O8 P4 -

- C100 H88 Cl4 Ni2 O16 P8 -

2

0.5

QB0214

Li, Yi-Zhi; Liu, Jia-Cheng; Wang, Zhi-Ping; Li, Qin-Xi; Sun, Gang-Chun; Wang, Liu-Fang; Xia, Chun-Gu

Bis[methylenebis(diphenylphosphine)-P,P']nickel(II) diperchlorate

Acta Crystallographica Section C

2,000

56

7

e286

e287

10.1107/S0108270100007824

0.71069

MoKα

null

0.033

null

0.044

null

1.22

null

has coordinates,has Fobs

Li, Yi-Zhi; Liu, Jia-Cheng; Wang, Zhi-Ping; Li, Qin-Xi; Sun, Gang-Chun; Wang, Liu-Fang; Xia, Chun-Gu Bis[methylenebis(diphenylphosphine)-P,P']nickel(II) diperchlorate Acta Crystallographica Section C 56(7) (2000) e286-e287

301,798

2025-08-19

6:41:47

#------------------------------------------------------------------------------ #$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/2/01/11/2011176.cif $ #-------------------------------------------------------------------...

2,011,177

14.067

0.001

10.1759

0.0007

15.755

0.001

90

null

90

null

90

null

2,255.2

0.3

173

2

173

2

null

4

P b c n

-P 2n 2ab

60

catena-poly[[bis(2,2'-bipyridyl-1κ^2^N,N')-μ-cyano-1:2κ^2^N:C-dicyano- 2κ^2^C-dinickel(II)]-μ-cyano-C:N]

- C24 H16 N8 Ni2 -

- C96 H64 N32 Ni8 -

4

0.5

SK1357

Juraj Černák; Abboud, Khalil A.

Ni(bipy)~2~Ni(CN)~4~, a new type of one-dimensional square tetracyano complex

Acta Crystallographica Section C

2,000

56

7

783

785

10.1107/S0108270100004996

0.71073

MoKα

0.09

0.046

null

0.142

null

1.007

null

has coordinates,has Fobs

Juraj Černák; Abboud, Khalil A. Ni(bipy)~2~Ni(CN)~4~, a new type of one-dimensional square tetracyano complex Acta Crystallographica Section C 56(7) (2000) 783-785

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/2/01/11/2011177.cif $ #-------------------------------------------------------------------...

2,011,178

16.4027

0.0006

8.76805

0.00019

19.5576

0.0004

90

null

90

null

90

null

2,812.77

0.13

293

2

293

2

null

4

P b c a

-P 2ac 2ab

61

- C10 H17 La O10 -

- C80 H136 La8 O80 -

8

1

SK1364

Benmerad, Belkacem; Guehria-Laidoudi, Achoura; Balegroune, Fadila; Birkedal, Henrik; Chapuis, Gervais

Polymeric aqua(glutarato)(hydrogen glutarato)lanthanum(III) monohydrate

Acta Crystallographica Section C

2,000

56

7

789

792

10.1107/S010827010000500X

0.71073

MoKα

0.0326

0.028

null

0.0494

null

1.188

null

has coordinates,has Fobs

Benmerad, Belkacem; Guehria-Laidoudi, Achoura; Balegroune, Fadila; Birkedal, Henrik; Chapuis, Gervais Polymeric aqua(glutarato)(hydrogen glutarato)lanthanum(III) monohydrate Acta Crystallographica Section C 56(7) (2000) 789-792

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/2/01/11/2011178.cif $ #-------------------------------------------------------------------...

2,011,179

4.8297

0.0002

7.9967

0.0005

11.0644

0.0006

89.022

0.003

80.294

0.003

78.5

0.003

412.69

0.04

100

1

100

1

null

5

P -1

-P 1

2

Ethane-1,2-diphosphonic acid‒4,4'-bipyridyl‒water (1/1/2)

- C12 H20 N2 O8 P2 -

1

0.5

SK1384

Glidewell, Christopher; Ferguson, George; Lough, Alan J.

A structural hierarchy in the hydrogen-bonded adduct ethane-1,2-diphosphonic acid‒4,4'-bipyridyl‒water (1/1/2): an N-component N-dimensional structure (N = 3) with substructures having N = 1 and 2

Acta Crystallographica Section C

2,000

56

7

855

858

10.1107/S0108270100004650

0.71073

MoKα

0.064

0.0457

null

0.1249

null

1.1

null

has coordinates,has Fobs

Glidewell, Christopher; Ferguson, George; Lough, Alan J. A structural hierarchy in the hydrogen-bonded adduct ethane-1,2-diphosphonic acid‒4,4'-bipyridyl‒water (1/1/2): an N-component N-dimensional structure (N = 3) with substructures having N = 1 and 2 Acta Crystallographica Section C 56(7)...

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/2/01/11/2011179.cif $ #-------------------------------------------------------------------...

2,011,180

13.114

0.001

12.7121

0.0019

20.959

0.003

90

null

105.594

0.007

90

null

3,365.4

0.8

150

2

150

2

null

4

P 1 21/n 1

-P 2yn

14

Trans-1,2-bis(2-nitroanilino)cyclohexane

- C18 H20 N4 O4 -

- C144 H160 N32 O32 -

8

2

SK1388

Ward, Mark F.; Wardell, Solange M. S. V.; Wardell, James L.; Low, John N.; Glidewell, Christopher

Hydrogen-bonded molecular ladders in trans-1,2-bis(2-nitroanilino)cyclohexane

Acta Crystallographica Section C

2,000

56

7

865

867

10.1107/S0108270100006260

0.71073

MoKα

0.2831

0.0668

null

0.1403

null

0.862

null

has coordinates,has Fobs

Ward, Mark F.; Wardell, Solange M. S. V.; Wardell, James L.; Low, John N.; Glidewell, Christopher Hydrogen-bonded molecular ladders in trans-1,2-bis(2-nitroanilino)cyclohexane Acta Crystallographica Section C 56(7) (2000) 865-867

301,798

2025-08-19

6:41:47

#------------------------------------------------------------------------------ #$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/2/01/11/2011180.cif $ #-------------------------------------------------------------------...

2,011,181

7.139

0.002

26.763

0.002

6.815

0.002

90

null

90

null

90

null

1,302.1

0.5

293

2

293

2

null

5

P 21 21 21

P 2ac 2ab

19

- C11 H11 Cl Fe O5 -

- C44 H44 Cl4 Fe4 O20 -

4

1

SX1099

Russi, Silvia; Suescun, Leopoldo; Mombrú, Alvaro; Pardo, Helena; Mariezcurrena, Raúl A.; Cavalli, Gabriel; Seoane, Gustavo

(S)-Tricarbonyl[(1,2,3,4-η)-(5R,6S)-1-chloro-5,6-dimethoxycyclohexa-1,3-diene]iron(0)

Acta Crystallographica Section C

2,000

56

7

820

821

10.1107/S0108270100006399

0.7107

MoKα

0.048

0.044

null

0.119

null

1.062

null

has coordinates,has Fobs

Russi, Silvia; Suescun, Leopoldo; Mombrú, Alvaro; Pardo, Helena; Mariezcurrena, Raúl A.; Cavalli, Gabriel; Seoane, Gustavo (S)-Tricarbonyl[(1,2,3,4-η)-(5R,6S)-1-chloro-5,6-dimethoxycyclohexa-1,3-diene]iron(0) Acta Crystallographica Section C 56(7) (2000) 820-821

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/2/01/11/2011181.cif $ #-------------------------------------------------------------------...

2,011,182

11.686

0.012

11.671

0.006

16.667

0.018

90

null

120.8

0.04

90

null

1,953

3

293

2

293

2

null

5

P 1 21/c 1

-P 2ybc

14

octasodium hexatungstomanganate(IV) octadecahydrate

- H36 Mn Na8 O42 W6 -

- Mn Na8 O42 W6 -

- Mn2 Na16 O84 W12 -

2

0.5

TA1280

Nolan, Annette L.; Burns, Robert C.; Lawrance, Geoffrey A.; Craig, Donald C.

Octasodium hexatungstomanganate(IV) octadecahydrate

Acta Crystallographica Section C

2,000

56

7

729

730

10.1107/S010827010000408X

0.71069

MoKα

0.047

0.038

null

0.123

null

0.12

null

0.963

null

has coordinates,has Fobs

Nolan, Annette L.; Burns, Robert C.; Lawrance, Geoffrey A.; Craig, Donald C. Octasodium hexatungstomanganate(IV) octadecahydrate Acta Crystallographica Section C 56(7) (2000) 729-730

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/2/01/11/2011182.cif $ #-------------------------------------------------------------------...

2,011,183

9.837

0.0008

12.382

0.0009

12.1515

0.0009

90

null

97.212

0.002

90

null

1,468.36

0.19

298

2

298

2

null

4

P 1 21/n 1

-P 2yn

14

tetrakis[1,1,2,2(η^5^)-methylcyclopentadienyl]di-μ-isopropxy- 1:2κ^2^O-diyttrium(III)(Y-Y)

- C30 H42 O2 Y2 -

- C60 H84 O4 Y4 -

2

0.5

TA1289

Li, Huanrong; Yao, Yingming; Shen, Qi; Weng, Linhong

Di-μ-isopropoxy-bis[bis(η^5^-methylcyclopentadienyl)yttrium(III)]

Acta Crystallographica Section C

2,000

56

7

747

748

10.1107/S0108270100004133

0.71073

MoKα

0.044

0.036

null

0.099

null

1.086

null

has coordinates

Li, Huanrong; Yao, Yingming; Shen, Qi; Weng, Linhong Di-μ-isopropoxy-bis[bis(η^5^-methylcyclopentadienyl)yttrium(III)] Acta Crystallographica Section C 56(7) (2000) 747-748

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/2/01/11/2011183.cif $ #-------------------------------------------------------------------...

2,011,184

10.867

0.003

24.284

0.004

5.427

0.002

90

null

90

null

90

null

1,432.2

0.7

293

2

293

2

null

4

P n m a

-P 2ac 2n

62

2,6-diphenyl-thiopyran-4-one

- C17 H16 O S -

- C68 H64 O4 S4 -

4

0.5

VJ1103

T. Narasimhamurthy; R.V. Krishnakumar; J.C.N.Benny; K.Pandiarajan; M.A.Viswamitra

2,6-Diphenylthiapyran-4-one

Acta Crystallographica Section C

2,000

56

7

870

871

10.1107/S0108270100004765

1.5418

CuKα

0.0473

0.0429

null

0.1225

null

1.167

null

has coordinates,has Fobs

T. Narasimhamurthy; R.V. Krishnakumar; J.C.N.Benny; K.Pandiarajan; M.A.Viswamitra 2,6-Diphenylthiapyran-4-one Acta Crystallographica Section C 56(7) (2000) 870-871

301,798

2025-08-19

6:41:47

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2,011,185

14.9965

0.0007

4.217

0.0003

26.022

0.001

90

null

90

null

90

null

1,645.64

0.15

293

2

293

2

null

4

P n a 21

P 2c -2n

33

7-aza-IAA

7-azaindole-3-acetic acid

- C9 H8 N2 O2 -

- C72 H64 N16 O16 -

8

2

AV1034

Antolić, Snježana; Kojić-Prodić, Biserka; Magnus, Volker

1H-Pyrrolo[2,3-b]pyridine-3-acetic acid as a molecular probe for use in auxin physiology

Acta Crystallographica Section C

2,000

56

8

1026

1027

10.1107/S0108270100007101

1.54184

CuKα

0.106

0.041

null

0.104

null

0.908

null

has coordinates,has Fobs

Antolić, Snježana; Kojić-Prodić, Biserka; Magnus, Volker 1H-Pyrrolo[2,3-b]pyridine-3-acetic acid as a molecular probe for use in auxin physiology Acta Crystallographica Section C 56(8) (2000) 1026-1027

301,798

2025-08-19

6:41:47

#------------------------------------------------------------------------------ #$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/2/01/11/2011185.cif $ #-------------------------------------------------------------------...

2,011,186

6.6305

0.0004

9.2888

0.0003

10.9828

0.0006

90

null

104.837

0.005

90

null

653.87

0.06

293

2

293

2

null

4

P 1 21/c 1

-P 2ybc

14

3-Nitro-1,2,4-triazolyl-1-nitromethane

3-Nitro-1-nitromethyl-1H-1,2,4-triazole

- C3 H3 N5 O4 -

- C12 H12 N20 O16 -

4

1

AV1037

Vasiliev, Alexander D.; Astachov, Alexander M.; Golubtsova, Oksana A.; Kruglyakova, Ludmila A.; Stepanov, Rudolf S.

3-Nitro-1-nitromethyl-1H-1,2,4-triazole

Acta Crystallographica Section C

2,000

56

8

999

1000

10.1107/S010827010000665X

1.54051

CuKα

0.038

0.032

null

0.087

null

1.029

null

has coordinates,has Fobs

Vasiliev, Alexander D.; Astachov, Alexander M.; Golubtsova, Oksana A.; Kruglyakova, Ludmila A.; Stepanov, Rudolf S. 3-Nitro-1-nitromethyl-1H-1,2,4-triazole Acta Crystallographica Section C 56(8) (2000) 999-1000

301,798

2025-08-19

6:41:47

#------------------------------------------------------------------------------ #$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/2/01/11/2011186.cif $ #-------------------------------------------------------------------...

2,011,187

7.5608

0.0002

9.0632

0.0002

12.7245

0.0003

69.481

0.001

82.764

0.001

76.229

0.002

792.29

0.03

150

null

150

null

4

P -1

-P 1

2

3-(3-aminophthalimido)phthalic acid dihydrate

- C16 H14 N2 O8 -

- C32 H28 N4 O16 -

2

1

BK1528

Dobson, Allison J.; Gerkin, Roger E.

Hydrogen bonding and C—H···O interactions in 3-(3-aminophthalimido)phthalic acid dihydrate

Acta Crystallographica Section C

2,000

56

8

1021

1023

10.1107/S0108270100007083

0.71073

MoKα

null

0.049

null

0.125

null

1.98

null

has coordinates

Dobson, Allison J.; Gerkin, Roger E. Hydrogen bonding and C—H···O interactions in 3-(3-aminophthalimido)phthalic acid dihydrate Acta Crystallographica Section C 56(8) (2000) 1021-1023

301,798

2025-08-19

6:41:47

#------------------------------------------------------------------------------ #$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/2/01/11/2011187.cif $ #-------------------------------------------------------------------...

2,011,188

9.138

0.001

10.793

0.002

8.249

0.001

90.76

0.01

94.26

0.01

65.75

0.01

739.6

0.19

210

2

210

2

null

3

P -1

-P 1

2

- C18 H10 F6 -

- C36 H20 F12 -

2

1

BK1534

Swenson, Dale C.; Gao, Xiaobang; Burton, Donald J.

(1E,3E,5E)-1,2,3,4,5,6-Hexafluoro-1,6-diphenylhexatriene

Acta Crystallographica Section C

2,000

56

8

1040

1041

10.1107/S0108270100007502

0.71073

MoKα

0.0802

0.0393

null

0.1219

null

1.045

null

has coordinates

Swenson, Dale C.; Gao, Xiaobang; Burton, Donald J. (1E,3E,5E)-1,2,3,4,5,6-Hexafluoro-1,6-diphenylhexatriene Acta Crystallographica Section C 56(8) (2000) 1040-1041

301,798

2025-08-19

6:41:47

#------------------------------------------------------------------------------ #$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/2/01/11/2011188.cif $ #-------------------------------------------------------------------...

2,011,189

15.7883

0.0008

3.9239

0.0002

22.6063

0.0011

90

null

105.767

0.001

90

null

1,347.8

0.12

100

2

100

2

null

4

P 1 21/n 1

-P 2yn

14

N-[(E,2E)-3-(4-methoxyphenyl)-2-propenylidene]-3-nitroaniline

- C16 H14 N2 O3 -

- C64 H56 N8 O12 -

4

1

BM1393

Vladimir N. Nesterov; Tatiana V. Timofeeva; Oleg Ya. Borbulevych; Mikhail Yu. Antipin; Ronald D. Clark

A combinatorial chemistry approach to new materials for non-linear optics. I. Five Schiff bases

Acta Crystallographica Section C

2,000

56

8

971

975

10.1107/S0108270100002845

0.71073

MoKα

0.0777

0.0543

null

0.1412

null

0.1263

null

0.89

null

1.024

null

has coordinates,has Fobs

Vladimir N. Nesterov; Tatiana V. Timofeeva; Oleg Ya. Borbulevych; Mikhail Yu. Antipin; Ronald D. Clark A combinatorial chemistry approach to new materials for non-linear optics. I. Five Schiff bases Acta Crystallographica Section C 56(8) (2000) 971-975

301,798

2025-08-19

6:41:47

#------------------------------------------------------------------------------ #$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/2/01/11/2011189.cif $ #-------------------------------------------------------------------...

2,011,190

10.413

0.002

7.599

0.0015

36.01

0.007

90

null

90

null

90

null

2,849.4

1

298

2

298

2

null

4

P b c a

-P 2ac 2ab

61

N-[(E,2E)-3-(4-methoxyphenyl)-2-propenylidene]-4-nitroaniline

- C16 H14 N2 O3 -

- C128 H112 N16 O24 -

8

1

BM1393

Vladimir N. Nesterov; Tatiana V. Timofeeva; Oleg Ya. Borbulevych; Mikhail Yu. Antipin; Ronald D. Clark

A combinatorial chemistry approach to new materials for non-linear optics. I. Five Schiff bases

Acta Crystallographica Section C

2,000

56

8

971

975

10.1107/S0108270100002845

0.71073

MoKα

0.1622

0.0502

null

0.2785

null

0.1063

null

1.015

null

1.159

null

has coordinates,has Fobs

Vladimir N. Nesterov; Tatiana V. Timofeeva; Oleg Ya. Borbulevych; Mikhail Yu. Antipin; Ronald D. Clark A combinatorial chemistry approach to new materials for non-linear optics. I. Five Schiff bases Acta Crystallographica Section C 56(8) (2000) 971-975

301,798

2025-08-19

6:41:47

#------------------------------------------------------------------------------ #$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/2/01/11/2011190.cif $ #-------------------------------------------------------------------...

2,011,191

6.791

0.0014

10.204

0.002

12.185

0.002

113.2

0.03

98.97

0.03

95.53

0.03

754.9

0.3

295

2

295

2

null

4

P -1

-P 1

2

N-{(E,2E)-3-[4-(dimethylamino)phenyl]-2-propenylidene}-3-nitroaniline

- C17 H17 N3 O2 -

- C34 H34 N6 O4 -

2

1

BM1393

Vladimir N. Nesterov; Tatiana V. Timofeeva; Oleg Ya. Borbulevych; Mikhail Yu. Antipin; Ronald D. Clark

A combinatorial chemistry approach to new materials for non-linear optics. I. Five Schiff bases

Acta Crystallographica Section C

2,000

56

8

971

975

10.1107/S0108270100002845

0.71073

MoKα

0.1367

0.0401

null

0.1961

null

0.0936

null

0.987

null

1.135

null

has coordinates

Vladimir N. Nesterov; Tatiana V. Timofeeva; Oleg Ya. Borbulevych; Mikhail Yu. Antipin; Ronald D. Clark A combinatorial chemistry approach to new materials for non-linear optics. I. Five Schiff bases Acta Crystallographica Section C 56(8) (2000) 971-975

301,798

2025-08-19

6:41:47

#------------------------------------------------------------------------------ #$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/2/01/11/2011191.cif $ #-------------------------------------------------------------------...

2,011,192

6.165

0.0012

7.273

0.0015

17.158

0.003

90.7

0.03

100.1

0.03

91.37

0.03

757.1

0.3

298

2

298

2

null

4

P -1

-P 1

2

N-{(E,2E)-3-[4-(dimethylamino)phenyl]-2-propenylidene}-4-nitroaniline

- C17 H17 N3 O2 -

- C34 H34 N6 O4 -

2

1

BM1393

Vladimir N. Nesterov; Tatiana V. Timofeeva; Oleg Ya. Borbulevych; Mikhail Yu. Antipin; Ronald D. Clark

A combinatorial chemistry approach to new materials for non-linear optics. I. Five Schiff bases

Acta Crystallographica Section C

2,000

56

8

971

975

10.1107/S0108270100002845

0.71073

MoKα

0.2117

0.0621

null

0.2208

null

0.1069

null

0.988

null

1.224

null

has coordinates

Vladimir N. Nesterov; Tatiana V. Timofeeva; Oleg Ya. Borbulevych; Mikhail Yu. Antipin; Ronald D. Clark A combinatorial chemistry approach to new materials for non-linear optics. I. Five Schiff bases Acta Crystallographica Section C 56(8) (2000) 971-975

301,798

2025-08-19

6:41:47

#------------------------------------------------------------------------------ #$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/2/01/11/2011192.cif $ #-------------------------------------------------------------------...

2,011,193

8.438

0.002

9.609

0.002

10.546

0.002

72.95

0.03

86.13

0.03

89.81

0.03

815.5

0.3

295

2

295

2

null

4

P -1

-P 1

2

N-{(E,2E)-3-[4-(dimethylamino)phenyl]-2-propenylidene}-2-methyl- -4-nitroaniline

- C18 H19 N3 O2 -

- C36 H38 N6 O4 -

2

1

BM1393

Vladimir N. Nesterov; Tatiana V. Timofeeva; Oleg Ya. Borbulevych; Mikhail Yu. Antipin; Ronald D. Clark

A combinatorial chemistry approach to new materials for non-linear optics. I. Five Schiff bases

Acta Crystallographica Section C

2,000

56

8

971

975

10.1107/S0108270100002845

0.71073

MoKα

0.182

0.0802

null

0.3166

null

0.2005

null

1.011

null

1.143

null

has coordinates

Vladimir N. Nesterov; Tatiana V. Timofeeva; Oleg Ya. Borbulevych; Mikhail Yu. Antipin; Ronald D. Clark A combinatorial chemistry approach to new materials for non-linear optics. I. Five Schiff bases Acta Crystallographica Section C 56(8) (2000) 971-975

301,798

2025-08-19

6:41:47

#------------------------------------------------------------------------------ #$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/2/01/11/2011193.cif $ #-------------------------------------------------------------------...

2,011,194

7.349

0.0015

9.252

0.0019

12.523

0.003

108.01

0.03

93.48

0.03

94.4

0.03

804.2

0.3

298

2

298

2

null

4

P -1

-P 1

2

molecular complex of 4-methoxycinnamaldehyde with 2,4-dinitroaniline

- C16 H15 N3 O6 -

- C32 H30 N6 O12 -

2

1

BM1394

Nesterov, Vladimir N.; Timofeeva, Tatiana V.; Antipin, Mikhail Yu.; Clark, Ronald D.

A combinatorial chemistry approach to new materials for nonlinear optics. II. 4,4-Dimethylaminocinnamaldehyde and a molecular complex of 4-methoxycinnamaldehyde with 2,4-dinitroaniline

Acta Crystallographica Section C

2,000

56

8

976

978

10.1107/S0108270100006351

0.71073

MoKα

0.088

0.047

null

0.156

null

1.023

null

has coordinates,has Fobs

Nesterov, Vladimir N.; Timofeeva, Tatiana V.; Antipin, Mikhail Yu.; Clark, Ronald D. A combinatorial chemistry approach to new materials for nonlinear optics. II. 4,4-Dimethylaminocinnamaldehyde and a molecular complex of 4-methoxycinnamaldehyde with 2,4-dinitroaniline Acta Crystallographica Section C 56(8) (2000) 976-...

301,798

2025-08-19

6:41:47

#------------------------------------------------------------------------------ #$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/2/01/11/2011194.cif $ #-------------------------------------------------------------------...

2,011,195

10.04

0.006

7.733

0.003

25.62

0.013

90

null

90

null

90

null

1,989.1

1.7

298

2

298

2

null

4

P b c a

-P 2ac 2ab

61

4,4-dimethylaminocinnamaldehyde

- C11 H13 N O -

- C88 H104 N8 O8 -

8

1

BM1394

Nesterov, Vladimir N.; Timofeeva, Tatiana V.; Antipin, Mikhail Yu.; Clark, Ronald D.

A combinatorial chemistry approach to new materials for nonlinear optics. II. 4,4-Dimethylaminocinnamaldehyde and a molecular complex of 4-methoxycinnamaldehyde with 2,4-dinitroaniline

Acta Crystallographica Section C

2,000

56

8

976

978

10.1107/S0108270100006351

0.71073

MoKα

0.173

0.123

null

0.257

null

1.141

null

has coordinates,has Fobs

Nesterov, Vladimir N.; Timofeeva, Tatiana V.; Antipin, Mikhail Yu.; Clark, Ronald D. A combinatorial chemistry approach to new materials for nonlinear optics. II. 4,4-Dimethylaminocinnamaldehyde and a molecular complex of 4-methoxycinnamaldehyde with 2,4-dinitroaniline Acta Crystallographica Section C 56(8) (2000) 976-...

301,798

2025-08-19

6:41:47

#------------------------------------------------------------------------------ #$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/2/01/11/2011195.cif $ #-------------------------------------------------------------------...

2,011,196

9.9534

0.001

10.53

0.003

13.837

0.002

90

0.02

110.942

0.01

90

0.02

1,354.4

0.5

273

2

273

2

null

3

P 1 21 1

P 2yb

4

(24R)-cycloartane-24,25-diol-3-one

- C30 H50 O3 -

- C60 H100 O6 -

2

1

BM1401

Bhattacharyya, Kinkini; Kar, Tanusree; Palmer, Rex A.; Potter, Brian S.; Inada, Akira

(24R)-24,25-Dihydroxycycloartan-3-one

Acta Crystallographica Section C

2,000

56

8

979

980

10.1107/S0108270100004820

1.5418

CuKα

0.0409

0.0399

null

0.1136

null

1.032

null

has coordinates

Bhattacharyya, Kinkini; Kar, Tanusree; Palmer, Rex A.; Potter, Brian S.; Inada, Akira (24R)-24,25-Dihydroxycycloartan-3-one Acta Crystallographica Section C 56(8) (2000) 979-980

301,798

2025-08-19

6:41:47

#------------------------------------------------------------------------------ #$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/2/01/11/2011196.cif $ #-------------------------------------------------------------------...

2,011,197

6.8157

0.0008

8.3508

0.001

14.725

0.002

90

null

100.119

0.01

90

null

825.06

0.18

173

2

173

2

null

6

P 1 21/n 1

-P 2yn

14

Bis(diethanolamine)bis(isothiocyanato)nickel(II)

Bis(2,2-́iminodiethanol)bis(isothiocyanato)nickel(II)

- C10 H22 N4 Ni O4 S2 -

- C20 H44 N8 Ni2 O8 S4 -

2

0.5

BM1413

Yilmaz, Veysel T.; Karadağ, Ahmet; Thöne, Carsten; Herbst-Irmer, Regine

trans-Bis(diethanolamine)bis(isothiocyanato)nickel(II)

Acta Crystallographica Section C

2,000

56

8

948

949

10.1107/S0108270100007289

0.71073

MoKα

0.0628

0.0335

null

0.0711

null

0.929

null

has coordinates,has Fobs

Yilmaz, Veysel T.; Karadağ, Ahmet; Thöne, Carsten; Herbst-Irmer, Regine trans-Bis(diethanolamine)bis(isothiocyanato)nickel(II) Acta Crystallographica Section C 56(8) (2000) 948-949

301,798

2025-08-19

6:41:47

#------------------------------------------------------------------------------ #$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/2/01/11/2011197.cif $ #-------------------------------------------------------------------...

2,011,198

5.5462

0.0003

5.6028

0.0004

15.6365

0.0013

90

null

90

null

90

null

485.9

0.06

292

1

null

3

P b c m

-P 2c 2b

57

- Ag Nb O3 -

- Ag8 Nb8 O24 -

8

1

Fábry, Jan; Zikmund, Zdeněk; Kania, Antoni; Petříček, Václav

Structural study of AgNbO~3~ at room temperature

Acta Crystallographica, Section C

2,000

56

916

918

10.1107/S0108270100006806

null

1,100,916

null

has coordinates

Fábry, Jan; Zikmund, Zdeněk; Kania, Antoni; Petříček, Václav Structural study of AgNbO~3~ at room temperature Acta Crystallographica, Section C 56 (2000) 916-918

287,519

2023-11-10

19:29:22

#------------------------------------------------------------------------------ #$Date: 2023-11-10 21:21:08 +0200 (Fri, 10 Nov 2023) $ #$Revision: 287519 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/11/2011198.cif $ #-------------------------------------------------------------------...

2,011,199

12.613

0.002

18.855

0.003

11.3048

0.0019

90.467

0.018

100.365

0.015

87.202

0.013

2,641.5

0.8

293

2

293

2

null

6

P -1

-P 1

2

Bis-(2,10-phenanthroline-N,N')-(thiosulfato-O,S)-nickel(II) hydrate, methanol solvate

- C25.4 H23.44 N4 Ni O5.32 S2 -

- C25.403 H16 N4 Ni O5.3225 S2 -

- C101.612 H64 N16 Ni4 O21.29 S8 -

4

2

DA1130

Freire, Eleonora; Baggio, Sergio; Baggio, Ricardo; Mariezcurrena, Raúl

Bis(1,10-phenanthroline-N,N')(thiosulfato-O,S)nickel(II)‒water‒methanol (1/0.92/1.4) and bis(2,2'-bipyridyl-N,N')(thiosulfato-O,S)nickel(II)‒water‒methanol (1/2/0.55)

Acta Crystallographica Section C

2,000

56

8

926

929

10.1107/S0108270100006880

0.7107

MoKα

0.09

0.042

null

0.164

null

0.954

null

has coordinates,has disorder,has Fobs

Freire, Eleonora; Baggio, Sergio; Baggio, Ricardo; Mariezcurrena, Raúl Bis(1,10-phenanthroline-N,N')(thiosulfato-O,S)nickel(II)‒water‒methanol (1/0.92/1.4) and bis(2,2'-bipyridyl-N,N')(thiosulfato-O,S)nickel(II)‒water‒methanol (1/2/0.55) Acta Crystallographica Sec...

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/2/01/11/2011199.cif $ #-------------------------------------------------------------------...

2,011,200

20.754

0.004

20.895

0.004

14.402

0.003

90

null

132.919

0.012

90

null

4,573.7

1.8

293

2

293

2

null

6

C 1 2/c 1

-C 2yc

15

Bis-(2,2'-bipyridyl-N,N')-(thiosulfato-O,S)-nickel(II), hydrate, methanol solvate

- C20.55 H22.2 N4 Ni O5.55 S2 -

- C20.548 H22.192 N4 Ni O5.548 S2 -

- C164.384 H177.536 N32 Ni8 O44.384 S16 -

8

1

DA1130

Freire, Eleonora; Baggio, Sergio; Baggio, Ricardo; Mariezcurrena, Raúl

Bis(1,10-phenanthroline-N,N')(thiosulfato-O,S)nickel(II)‒water‒methanol (1/0.92/1.4) and bis(2,2'-bipyridyl-N,N')(thiosulfato-O,S)nickel(II)‒water‒methanol (1/2/0.55)

Acta Crystallographica Section C

2,000

56

8

926

929

10.1107/S0108270100006880

0.71073

MoKα

0.142

0.064

null

0.183

null

0.971

null

has coordinates,has Fobs

Freire, Eleonora; Baggio, Sergio; Baggio, Ricardo; Mariezcurrena, Raúl Bis(1,10-phenanthroline-N,N')(thiosulfato-O,S)nickel(II)‒water‒methanol (1/0.92/1.4) and bis(2,2'-bipyridyl-N,N')(thiosulfato-O,S)nickel(II)‒water‒methanol (1/2/0.55) Acta Crystallographica Sec...

206,183

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2018-02-05 12:38:38 +0200 (Mon, 05 Feb 2018) $ #$Revision: 206183 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/12/2011200.cif $ #-------------------------------------------------------------------...

2,011,201

8.114

0.002

22.474

0.004

16.642

0.003

90

null

96.08

0.02

90

null

3,017.7

1.1

293

2

293

2

null

6

C 1 2/c 1

-C 2yc

15

Di-μ-bromo-bis[bromo(di-2-pyridylmethanediol-N,O,N')cadmium(II)] trihydrate

- C22 H26 Br4 Cd2 N4 O7 -

- C88 H104 Br16 Cd8 N16 O28 -

4

0.5

DA1134

Zhu, Huai-Gang; Yang, Guang; Chen, Xiao-Ming

Di-μ-bromo-bis[bromo(di-2-pyridylmethanediol-N,O,N')cadmium(II)] trihydrate

Acta Crystallographica Section C

2,000

56

8

969

970

10.1107/S010827010000754X

0.71073

MoKα

0.067

0.04

null

0.08

null

1.066

null

has coordinates,has Fobs

Zhu, Huai-Gang; Yang, Guang; Chen, Xiao-Ming Di-μ-bromo-bis[bromo(di-2-pyridylmethanediol-N,O,N')cadmium(II)] trihydrate Acta Crystallographica Section C 56(8) (2000) 969-970

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/2/01/12/2011201.cif $ #-------------------------------------------------------------------...

2,011,202

8.483

0.002

15.994

0.003

10.988

0.002

90

null

104.5

0.03

90

null

1,443.3

0.5

293

null

293

null

4

P 1 21/c 1

-P 2ybc

14

Triphenylmethanol - triphenylphosphinoxide

- C37 H31 O2 P -

- C37 H30.98 O2 P -

- C74 H61.96 O4 P2 -

2

0.5

DE1126

Steiner, Thomas

Triphenylmethanol‒triphenylphosphine oxide (1/1)

Acta Crystallographica Section C

2,000

56

8

1033

1034

10.1107/S0108270100007423

0.71073

MoKα

0.1162

0.0686

null

0.1604

null

1.19

null

has coordinates,has Fobs

Steiner, Thomas Triphenylmethanol‒triphenylphosphine oxide (1/1) Acta Crystallographica Section C 56(8) (2000) 1033-1034

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/2/01/12/2011202.cif $ #-------------------------------------------------------------------...

2,011,203

7.577

0.002

8.03

0.002

13.464

0.003

76.6

0.03

89.17

0.03

82.6

0.03

790.2

0.4

293

2

293

2

null

6

P -1

-P 1

2

bis(μ~2~-hexamethylenetetramine)bis(aquadi(μ~2~-bromo)- cadmium)diaquadibromocadmium dihydrate

- C12 H36 Br6 Cd3 N8 O6 -

1

0.5

DE1139

Tong, Ming-Liang; Zheng, Shao-Liang; Chen, Xiao-Ming

Bis(μ-hexamethylenetetramine)bis(aquadibromocadmium)diaquadibromocadmium dihydrate

Acta Crystallographica Section C

2,000

56

8

960

962

10.1107/S0108270100007435

0.71073

MoKα

0.0703

0.0433

null

0.1037

null

1.025

null

has coordinates,has Fobs

Tong, Ming-Liang; Zheng, Shao-Liang; Chen, Xiao-Ming Bis(μ-hexamethylenetetramine)bis(aquadibromocadmium)diaquadibromocadmium dihydrate Acta Crystallographica Section C 56(8) (2000) 960-962

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/2/01/12/2011203.cif $ #-------------------------------------------------------------------...

2,011,204

12.1918

0.0006

6.5318

0.0003

22.0382

0.0008

90

null

93.985

0.003

90

null

1,750.76

0.13

100

2

100

2

null

6

P 1 21/n 1

-P 2yn

14

Ranitidine

N-(2-{[5-(Dimethylaminomethyl)-2-furanyl]methylthio}ethyl)-N' -methyl-2-nitro-1,1-ethanediamine hydrochloride

- C13 H23 Cl N4 O3 S -

- C52 H92 Cl4 N16 O12 S4 -

4

1

FG1581

Hempel, Andrew; Camerman, Norman; Mastropaolo, Donald; Camerman, Arthur

Ranitidine hydrochloride, a polymorphic crystal form

Acta Crystallographica Section C

2,000

56

8

1048

1049

10.1107/S010827010000785X

0.71073

MoKα

0.0785

0.0416

null

0.1304

null

0.802

null

has coordinates,has Fobs

Hempel, Andrew; Camerman, Norman; Mastropaolo, Donald; Camerman, Arthur Ranitidine hydrochloride, a polymorphic crystal form Acta Crystallographica Section C 56(8) (2000) 1048-1049

301,798

2025-08-19

6:41:47

#------------------------------------------------------------------------------ #$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/2/01/12/2011204.cif $ #-------------------------------------------------------------------...

2,011,205

6.4268

0.0003

14.342

0.0012

10.7559

0.0006

90

null

90.618

0.004

90

null

991.35

0.11

293

2

293

2

null

5

P 1 21/n 1

-P 2yn

14

2-[(4-Hydroxyphenyl)iminomethyl]thiophene

- C11 H9 N O S -

- C44 H36 N4 O4 S4 -

4

1

FR1266

Kazak, Canan; Aygün, Muhittin; Turgut, Günseli; Odabaşoĝlu, Mustafa; Özbey, Süheyla; Büyükgüngör, Orhan

2-[(4-Hydroxyphenyl)iminomethyl]thiophene

Acta Crystallographica Section C

2,000

56

8

1044

1045

10.1107/S0108270100007770

1.5418

CuKα

0.048

0.046

null

0.125

null

1.051

null

has coordinates,has Fobs

Kazak, Canan; Aygün, Muhittin; Turgut, Günseli; Odabaşoĝlu, Mustafa; Özbey, Süheyla; Büyükgüngör, Orhan 2-[(4-Hydroxyphenyl)iminomethyl]thiophene Acta Crystallographica Section C 56(8) (2000) 1044-1045

301,798

2025-08-19

6:41:47

#------------------------------------------------------------------------------ #$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/2/01/12/2011205.cif $ #-------------------------------------------------------------------...

2,011,206

9.647

0.006

12.675

0.006

16.359

0.005

90

null

93.77

0.04

90

null

1,996

1.7

170

2

170

2

null

5

P 1 21/n 1

-P 2yn

14

clemizoledichlorocobalt(II)

Dichloro[1-(p-chlorophenylmethyl)-2-(1-pyrrolidinylmethyl)benzimidazole- N,N'']Cobalt(II)

- C19 H20 Cl3 Co N3 -

- C76 H80 Cl12 Co4 N12 -

4

1

FR1273

Parvez, Masood; Braitenbach, Kristin

Clemizoledichlorocobalt(II)

Acta Crystallographica Section C

2,000

56

8

919

920

10.1107/S0108270100005710

0.71069

MoKα

0.188

0.043

null

0.136

null

0.979

null

has coordinates,has disorder,has Fobs

Parvez, Masood; Braitenbach, Kristin Clemizoledichlorocobalt(II) Acta Crystallographica Section C 56(8) (2000) 919-920

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/2/01/12/2011206.cif $ #-------------------------------------------------------------------...

2,011,207

8.9719

0.0002

10.7632

0.0002

10.8399

0.0002

92.9965

0.001

90.1788

0.001

113.367

0.0009

959.28

0.03

193

null

193

null

3

P -1

-P 1

2

diethyl 5, 6, 5',6'-tetramethylbiphenyl-2, 2'-dicarboxylate #

- C22 H26 O4 -

- C44 H52 O8 -

2

1

FR1277

Gerkin, Roger E.

C—H···O interactions in diethyl 5,5',6,6'-tetramethylbiphenyl-2,2'-dicarboxylate at 193K

Acta Crystallographica Section C

2,000

56

8

1024

1025

10.1107/S0108270100007022

0.71073

MoKα

null

0.05

null

0.125

null

1.94

null

has coordinates

Gerkin, Roger E. C—H···O interactions in diethyl 5,5',6,6'-tetramethylbiphenyl-2,2'-dicarboxylate at 193K Acta Crystallographica Section C 56(8) (2000) 1024-1025

301,798

2025-08-19

6:41:47

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2,011,208

6.1716

0.0009

11.7924

0.0014

13.2197

0.0014

97.731

0.01

97.109

0.012

97.353

0.012

935.7

0.2

173

null

173

2

null

3

P -1

-P 1

2

2,4-bis(α,α-dimethylbenzyl)phenol

- C24 H26 O -

- C48 H52 O2 -

2

1

FR1283

Bryan, Jeffrey C.

2,4-Bis(α,α-dimethylbenzyl)phenol

Acta Crystallographica Section C

2,000

56

8

1046

1047

10.1107/S0108270100007782

0.71073

MoKα

0.055

0.04

null

0.11

null

1.07

null

has coordinates

Bryan, Jeffrey C. 2,4-Bis(α,α-dimethylbenzyl)phenol Acta Crystallographica Section C 56(8) (2000) 1046-1047

176,760

2020-10-21

18:00:00

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2,011,209

7.451

0.003

19.709

0.006

18.587

0.008

90

null

90

null

90

null

2,729.5

1.8

293

2

293

2

null

4

P n m a

-P 2ac 2n

62

3,6,9,16,19,22-hexaazatricyclo[22.2.2.2^11,14^]triaconta-11,13,24,26,27, 29-hexaene pentahydrate

- C24 H48 N6 O5 -

- C96 H192 N24 O20 -

4

0.5

GD1091

He, Wei-jiang; Ye, Zi-feng; Xu, Yan; Guo, Zi-jian; Zhu, Long-Gen

3,6,9,16,19,22-Hexaazatricyclo[22.2.2.2^11,14^]triaconta-11,13,24,26(1),27,29-hexaene pentahydrate

Acta Crystallographica Section C

2,000

56

8

1019

1020

10.1107/S0108270100007095

0.71073

MoKα

0.0879

0.0638

null

0.1966

null

1.027

null

has coordinates,has disorder,has Fobs

He, Wei-jiang; Ye, Zi-feng; Xu, Yan; Guo, Zi-jian; Zhu, Long-Gen 3,6,9,16,19,22-Hexaazatricyclo[22.2.2.2^11,14^]triaconta-11,13,24,26(1),27,29-hexaene pentahydrate Acta Crystallographica Section C 56(8) (2000) 1019-1020

301,798

2025-08-19

6:41:47

#------------------------------------------------------------------------------ #$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/2/01/12/2011209.cif $ #-------------------------------------------------------------------...

2,011,210

12.525

0.002

12.736

0.002

10.033

0.002

94.64

0.01

102.51

0.01

109.32

0.01

1,454.1

0.5

298

null

5

P -1

-P 1

2

- C50 H84 Cu3 N2 O12 -

1

0.5

GD1098

Kani, Yoshiyuki; Tsuchimoto, Masanobu; Ohba, Shigeru; Matsushima, Hideaki; Tokii, Tadashi

catena-Poly[[tetrakis(μ-3,3-dimethylbutyrato-O:O')dicopper(II)]-μ-3,3-dimethylbutyrato-O:O'-[bis(2,6-dimethylpyridine-N)copper(II)]-μ-3,3-dimethylbutyrato-O:O'] and tetrakis(μ-2,2-dimethylpropanoato-O:O')bis[(2,6-dimethylpyridine-N)copper(II)]

Acta Crystallographica Section C

2,000

56

8

923

925

10.1107/S0108270100006697

0.71073

MoKα

null

0.045

null

0.115

null

1.08

null

has coordinates

Kani, Yoshiyuki; Tsuchimoto, Masanobu; Ohba, Shigeru; Matsushima, Hideaki; Tokii, Tadashi catena-Poly[[tetrakis(μ-3,3-dimethylbutyrato-O:O')dicopper(II)]-μ-3,3-dimethylbutyrato-O:O'-[bis(2,6-dimethylpyridine-N)copper(II)]-μ-3,3-dimethylbutyrato-O:O'] and tetrakis(...

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/2/01/12/2011210.cif $ #-------------------------------------------------------------------...

2,011,211

10.986

0.004

11.195

0.005

9.564

0.004

107.66

0.04

97.15

0.04

61.82

0.03

987.7

0.8

298

null

5

P -1

-P 1

2

- C34 H54 Cu2 N2 O8 -

1

0.5

GD1098

Kani, Yoshiyuki; Tsuchimoto, Masanobu; Ohba, Shigeru; Matsushima, Hideaki; Tokii, Tadashi

catena-Poly[[tetrakis(μ-3,3-dimethylbutyrato-O:O')dicopper(II)]-μ-3,3-dimethylbutyrato-O:O'-[bis(2,6-dimethylpyridine-N)copper(II)]-μ-3,3-dimethylbutyrato-O:O'] and tetrakis(μ-2,2-dimethylpropanoato-O:O')bis[(2,6-dimethylpyridine-N)copper(II)]

Acta Crystallographica Section C

2,000

56

8

923

925

10.1107/S0108270100006697

0.71073

MoKα

null

0.048

null

0.152

null

1.05

null

has coordinates

Kani, Yoshiyuki; Tsuchimoto, Masanobu; Ohba, Shigeru; Matsushima, Hideaki; Tokii, Tadashi catena-Poly[[tetrakis(μ-3,3-dimethylbutyrato-O:O')dicopper(II)]-μ-3,3-dimethylbutyrato-O:O'-[bis(2,6-dimethylpyridine-N)copper(II)]-μ-3,3-dimethylbutyrato-O:O'] and tetrakis(...

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/2/01/12/2011211.cif $ #-------------------------------------------------------------------...

2,011,212

15.59

0.002

10.889

0.002

11.87

0.001

90

null

95.982

0.01

90

null

2,004.1

0.5

293

2

293

2

null

5

C 1 2/c 1

-C 2yc

15

- C17 H24 Cl2 N4 Sn -

- C68 H96 Cl8 N16 Sn4 -

4

0.5

GG1001

Casas, José S.; García-Martínez, Emilia; García-Tasende, Soledad; Sánchez, Agustín; Sordo, José; Vázquez-López, Ezequiel M.; Vidarte, María José

Dichlorobis(3,5-dimethylpyrazole-N^2^)methylphenyltin(IV)

Acta Crystallographica Section C

2,000

56

8

932

933

10.1107/S0108270100007058

0.71073

MoKα

0.0516

0.0273

null

0.0626

null

1.02

null

has coordinates,has Fobs

Casas, José S.; García-Martínez, Emilia; García-Tasende, Soledad; Sánchez, Agustín; Sordo, José; Vázquez-López, Ezequiel M.; Vidarte, María José Dichlorobis(3,5-dimethylpyrazole-N^2^)methylphenyltin(IV) Acta Crystallographica Section C 56(8) (2000) 932-933

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/2/01/12/2011212.cif $ #-------------------------------------------------------------------...

2,011,213

22.736

0.005

30.654

0.006

8.799

0.002

90

null

90

null

90

null

6,132

2

150

2

null

10

P n a 21

P 2c -2n

33

- C49 H60 As4 Cl F12 N4 O5 P2 Re Ru -

- C196 H240 As16 Cl4 F48 N16 O20 P8 Re4 Ru4 -

4

1

GG1004

Coe, Benjamin J.; McDonald, Christopher I.; Coles, Simon J.; Hursthouse, Michael B.

fac,trans-[(2,2'-Bipyridine-N,N')tricarbonylrhenium(I)]-μ-(4,4'-bipyridine)-N:N'-{chlorobis[1,2-phenylenebis(dimethylarsine)]ruthenium(II)} bis(hexafluorophosphate) diacetone solvate

Acta Crystallographica Section C

2,000

56

8

963

965

10.1107/S0108270100008076

0.71073

MoKα

null

0.0514

null

0.1147

null

0.989

null

has coordinates,has disorder,has Fobs

Coe, Benjamin J.; McDonald, Christopher I.; Coles, Simon J.; Hursthouse, Michael B. fac,trans-[(2,2'-Bipyridine-N,N')tricarbonylrhenium(I)]-μ-(4,4'-bipyridine)-N:N'-{chlorobis[1,2-phenylenebis(dimethylarsine)]ruthenium(II)} bis(hexafluorophosphate) diacetone solvate Acta Crysta...

198,632

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-07-11 14:26:40 +0300 (Tue, 11 Jul 2017) $ #$Revision: 198632 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/12/2011213.cif $ #-------------------------------------------------------------------...

2,011,214

12.983

0.001

11.435

0.001

17.028

0.002

90

null

95.35

0.02

90

null

2,517

0.4

296.2

null

296.2

null

4

P 1 21/c 1

-P 2ybc

14

- C30 H27 O2 P -

- C120 H108 O8 P4 -

4

1

GS1084

Muthuraman, Meiyappan; Nicoud, Jean-François; Masse, René; Desiraju, Gautam R.

Benzyltriphenylphosphonium glutaconaldehyde

Acta Crystallographica Section C

2,000

56

8

986

988

10.1107/S0108270100005862

0.5608

AgKα

0.054

null

0.051

null

0.051

null

1.996

null

2

null

has coordinates,has Fobs

Muthuraman, Meiyappan; Nicoud, Jean-François; Masse, René; Desiraju, Gautam R. Benzyltriphenylphosphonium glutaconaldehyde Acta Crystallographica Section C 56(8) (2000) 986-988

301,798

2025-08-19

6:41:47

#------------------------------------------------------------------------------ #$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/2/01/12/2011214.cif $ #-------------------------------------------------------------------...

2,011,215

5.386

0.0005

11.47

0.002

27.539

0.003

90

null

90

null

90

null

1,701.3

0.4

293

2

293

2

null

4

P 21 21 21

P 2ac 2ab

19

Piv-Proψ[CH2-NH-O]Gly-NH^i^Pr

(S)-N-(tert-butylcarbonyl)-2-[[O-(N-isopropylacetamidyl)] -hydroxylaminomethylene]-pyrrolidine

- C15 H29 N3 O3 -

- C60 H116 N12 O12 -

4

1

GS1085

Corbier, Catherine; Didierjean, Claude; Thévenet, Laurent; Vanderesse, Regis; Marraud, Michel

Piv-Proψ[CH~2~–NH–O]Gly–NH^i^Pr

Acta Crystallographica Section C

2,000

56

8

995

996

10.1107/S0108270100006478

1.5406

CuKα

0.059

0.0541

null

0.1573

null

1.063

null

has coordinates,has Fobs

Corbier, Catherine; Didierjean, Claude; Thévenet, Laurent; Vanderesse, Regis; Marraud, Michel Piv-Proψ[CH~2~–NH–O]Gly–NH^i^Pr Acta Crystallographica Section C 56(8) (2000) 995-996

301,798

2025-08-19

6:41:47

#------------------------------------------------------------------------------ #$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/2/01/12/2011215.cif $ #-------------------------------------------------------------------...

2,011,216

16.024

0.003

17.073

0.003

16.067

0.003

90

null

106.75

0.03

90

null

4,209.1

1.5

100

2

100

2

null

4

P 1 21/n 1

-P 2yn

14

- C47 H66 N2 O4 -

- C188 H264 N8 O16 -

4

1

GS1087

Leverd, Pascal C.; Weber, Dirk; Habicher, Wolf D.; Nierlich, Martine

Inclusion of HNEt~3~^+^ in an acyclic tetraphenolate

Acta Crystallographica Section C

2,000

56

8

997

998

10.1107/S0108270100006582

0.71073

MoKα

0.0906

0.0508

null

0.123

null

0.997

null

has coordinates

Leverd, Pascal C.; Weber, Dirk; Habicher, Wolf D.; Nierlich, Martine Inclusion of HNEt~3~^+^ in an acyclic tetraphenolate Acta Crystallographica Section C 56(8) (2000) 997-998

301,798

2025-08-19

6:41:47

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2,011,217

21.387

0.005

7.9328

0.001

15.184

0.003

90

null

90.657

0.01

90

null

2,575.9

0.9

293

2

293

2

null

4

P 1 2/c 1

-P 2yc

13

Cerous sodium nitrate monohydrate

disodium cerium pentanitrate monohydrate

- Ce N5 Na2 O16 -

- Ce8 N40 Na16 O128 -

8

2

GS1089

Audebrand, Nathalie; Louër, Daniel

Cerous sodium nitrate monohydrate, Na~2~Ce(NO~3~)~5~·H~2~O

Acta Crystallographica Section C

2,000

56

8

913

915

10.1107/S0108270100006211

0.71073

MoKα

0.088

0.026

null

0.062

null

1.032

null

has coordinates,has Fobs

Audebrand, Nathalie; Louër, Daniel Cerous sodium nitrate monohydrate, Na~2~Ce(NO~3~)~5~·H~2~O Acta Crystallographica Section C 56(8) (2000) 913-915

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/2/01/12/2011217.cif $ #-------------------------------------------------------------------...

2,011,218

14.345

0.001

5.6905

0.0007

18.714

0.001

90

null

96.064

0.009

90

null

1,519.1

0.2

293

2

293

2

null

4

P 1 21/n 1

-P 2yn

14

YC-1

1-Benzyl-3-(5'-hydroxymethyl-2-furyl)indazole

- C19 H16 N2 O2 -

- C76 H64 N8 O8 -

4

1

GS1090

Sopková-de Oliveira Santos, Jana; Collot, Valérie; Bureau, Isabelle; Rault, Sylvain

YC-1, an activation inductor of soluble guanylyl cyclase

Acta Crystallographica Section C

2,000

56

8

1035

1036

10.1107/S0108270100007393

0.71073

MoKα

0.0683

0.0448

null

0.1395

null

1.06

null

has coordinates,has Fobs

Sopková-de Oliveira Santos, Jana; Collot, Valérie; Bureau, Isabelle; Rault, Sylvain YC-1, an activation inductor of soluble guanylyl cyclase Acta Crystallographica Section C 56(8) (2000) 1035-1036

301,798

2025-08-19

6:41:47

#------------------------------------------------------------------------------ #$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/2/01/12/2011218.cif $ #-------------------------------------------------------------------...

2,011,219

11.0434

0.0005

11.0028

0.0003

12.746

0.0006

90

0.001

90

0.001

90

0.001

1,548.75

0.11

298

null

4

P 21 21 21

P 2ac 2ab

19

- C16 H23 N O4 -

- C64 H92 N4 O16 -

4

1

GS1091

Kassem, Tarek; Rolland, Valérie; Martinez, Jean; Rolland, Marc

Two key chiral intermediates in a new 4-hydroxyisoleucine synthesis

Acta Crystallographica Section C

2,000

56

8

1037

1039

10.1107/S010827010000740X

0.71073

MoKα

null

0.041

null

0.058

null

1.319

null

has coordinates,has Fobs

Kassem, Tarek; Rolland, Valérie; Martinez, Jean; Rolland, Marc Two key chiral intermediates in a new 4-hydroxyisoleucine synthesis Acta Crystallographica Section C 56(8) (2000) 1037-1039

301,798

2025-08-19

6:41:47

#------------------------------------------------------------------------------ #$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/2/01/12/2011219.cif $ #-------------------------------------------------------------------...

2,011,220

8.261

0.0003

12.5168

0.0005

14.9291

0.0003

90

0.001

90

0.001

90

0.001

1,543.69

0.09

298

null

4

P 21 21 21

P 2ac 2ab

19

- C16 H23 N O3 -

- C64 H92 N4 O12 -

4

1

GS1091

Kassem, Tarek; Rolland, Valérie; Martinez, Jean; Rolland, Marc

Two key chiral intermediates in a new 4-hydroxyisoleucine synthesis

Acta Crystallographica Section C

2,000

56

8

1037

1039

10.1107/S010827010000740X

0.71073

MoKα

null

0.039

null

0.06

null

1.309

null

has coordinates,has Fobs

Kassem, Tarek; Rolland, Valérie; Martinez, Jean; Rolland, Marc Two key chiral intermediates in a new 4-hydroxyisoleucine synthesis Acta Crystallographica Section C 56(8) (2000) 1037-1039

301,798

2025-08-19

6:41:47

#------------------------------------------------------------------------------ #$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/2/01/12/2011220.cif $ #-------------------------------------------------------------------...

2,011,221

14.453

0.003

10.3993

0.0013

25.371

0.002

90

null

94.366

0.001

90

null

3,802.2

1

293

2

293

2

null

6

C 1 2/c 1

-C 2yc

15

- C22 H17 Cl Cu N2 O2 -

- C176 H136 Cl8 Cu8 N16 O16 -

8

1

GS1092

Elerman, Yalc̨ın; Kara, Hülya; Özcan, Sabahat; Kendi̇, Engin

(Benzoylacetonato)chloro(1,10-phenanthroline)copper(II)

Acta Crystallographica Section C

2,000

56

8

950

951

10.1107/S0108270100007411

1.5418

CuKα

0.0565

0.0526

null

0.1574

null

1.064

null

has coordinates,has Fobs

Elerman, Yalc̨ın; Kara, Hülya; Özcan, Sabahat; Kendi̇, Engin (Benzoylacetonato)chloro(1,10-phenanthroline)copper(II) Acta Crystallographica Section C 56(8) (2000) 950-951

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/2/01/12/2011221.cif $ #-------------------------------------------------------------------...

2,011,222

18.5099

0.0002

15.0831

0.0002

18.5766

0.0002

90

null

90.5023

0.0006

90

null

5,186.14

0.1

110

2

293

2

null

5

P 1 21 1

P 2yb

4

- C110 H126 N6 O24 Ru -

- C220 H252 N12 O48 Ru2 -

2

1

GS1094

Galardon, Erwan; Lukas, Michael; Le Maux, Paul; Toupet, Loïc; Roisnel, Thierry; Simonneaux, Gerard

Bis[(R)-1-phenylethyl isocyanido](5,10,15,20-tetrakis{2,6-bis[(S)-2,2-dimethyl-1,3-dioxolan-4-ylmethyloxy]phenyl}porphyrin)ruthenium(II) at 110K

Acta Crystallographica Section C

2,000

56

8

955

956

10.1107/S0108270100007952

0.71069

MoKα

0.049

0.039

null

0.103

null

1.025

null

has coordinates

Galardon, Erwan; Lukas, Michael; Le Maux, Paul; Toupet, Loïc; Roisnel, Thierry; Simonneaux, Gerard Bis[(R)-1-phenylethyl isocyanido](5,10,15,20-tetrakis{2,6-bis[(S)-2,2-dimethyl-1,3-dioxolan-4-ylmethyloxy]phenyl}porphyrin)ruthenium(II) at 110K Acta Crystallographica Section C 56(8) (2000) 955-956

176,760

2020-10-21

18:00:00

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2,011,223

7.152

0.002

8.806

0.003

14.004

0.004

90

null

95.6

0.02

90

null

877.8

0.5

293

2

293

2

null

4

P 1 21/c 1

-P 2ybc

14

Triaqua(oxalato-O,O')oxovanadium(IV) dihydrate

- C2 H10 O10 V -

- C8 H40 O40 V4 -

4

1

JZ1392

Belaj, Ferdinand; Basch, Angelika; Udo Muster

Triaqua(oxalato-O,O')oxovanadium(IV) dihydrate

Acta Crystallographica Section C

2,000

56

8

921

922

10.1107/S0108270100006491

0.71069

MoKα

0.036

0.031

null

0.081

null

1.064

null

has coordinates,has Fobs

Belaj, Ferdinand; Basch, Angelika; Udo Muster Triaqua(oxalato-O,O')oxovanadium(IV) dihydrate Acta Crystallographica Section C 56(8) (2000) 921-922

301,798

2025-08-19

6:41:47

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2,011,224

7.0662

0.0016

22.083

0.003

40.141

0.005

90

null

90

null

90

null

6,263.7

1.8

293

2

293

2

null

3

P 21 21 21

P 2ac 2ab

19

Methyl 3β-acetoxy-12-oxo-18β-olean-28-oate

- C33 H52 O5 -

- C264 H416 O40 -

8

2

JZ1393

Gzella, Andrzej

Triterpenoide. XX. 3β-Acetoxy-12-oxo-18β-olean- und 3β-Acetoxy-12,19-dioxo-9(11),13(18)-oleandien-28-säure-methylester

Acta Crystallographica Section C

2,000

56

8

983

985

10.1107/S0108270100005801

1.54178

CuKα

0.088

0.044

null

0.13

null

1.077

null

has coordinates

Gzella, Andrzej Triterpenoide. XX. 3β-Acetoxy-12-oxo-18β-olean- und 3β-Acetoxy-12,19-dioxo-9(11),13(18)-oleandien-28-säure-methylester Acta Crystallographica Section C 56(8) (2000) 983-985

301,798

2025-08-19

6:41:47

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2,011,225

7.9348

0.0008

15.8841

0.001

12.148

0.0008

90

null

99.041

0.007

90

null

1,512.1

0.2

293

2

293

2

null

3

P 1 21 1

P 2yb

4

Methyl 3β-acetoxy-12,19-dioxoolean-9(11),13(18)-dien-28-oate

- C33 H46 O6 -

- C66 H92 O12 -

2

1

JZ1393

Gzella, Andrzej

Triterpenoide. XX. 3β-Acetoxy-12-oxo-18β-olean- und 3β-Acetoxy-12,19-dioxo-9(11),13(18)-oleandien-28-säure-methylester

Acta Crystallographica Section C

2,000

56

8

983

985

10.1107/S0108270100005801

1.54178

CuKα

0.034

0.032

null

0.092

null

1.06

null

has coordinates

Gzella, Andrzej Triterpenoide. XX. 3β-Acetoxy-12-oxo-18β-olean- und 3β-Acetoxy-12,19-dioxo-9(11),13(18)-oleandien-28-säure-methylester Acta Crystallographica Section C 56(8) (2000) 983-985

301,798

2025-08-19

6:41:47

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2,011,226

4.8995

0.001

11.33

0.0013

23.82

0.003

90

null

90

null

90

null

1,322.3

0.4

293

2

293

2

null

4

P 21 21 21

P 2ac 2ab

19

(4S,5S)-(+)-4-Hydroxymethyl-2,5-diphenyloxazoline

- C16 H15 N O2 -

- C64 H60 N4 O8 -

4

1

JZ1397

Gzella, Andrzej; Rozwadowska, Maria D.

(4S,5S)-(+)-4-Hydroxymethyl-2,5-diphenyloxazoline

Acta Crystallographica Section C

2,000

56

8

981

982

10.1107/S0108270100006818

1.54178

CuKα

0.032

0.0289

null

0.0817

null

1.076

null

has coordinates

Gzella, Andrzej; Rozwadowska, Maria D. (4S,5S)-(+)-4-Hydroxymethyl-2,5-diphenyloxazoline Acta Crystallographica Section C 56(8) (2000) 981-982

301,798

2025-08-19

6:41:47

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2,011,227

16.611

0.003

16.611

0.003

10.6471

0.0013

90

null

90

null

120

null

2,544.2

0.7

293

2

293

2

null

4

R 3 :H

R 3

146

2'-Deoxy-5-methylisocytidine

2-amino-1-(2-deoxy-β-D-erythro-pentofuranosyl)-5-methylpyrimidin-4(1H)-one

- C10 H15 N3 O4 -

- C90 H135 N27 O36 -

9

1

JZ1402

Seela, Frank; He, Yang; Reuter, Hans; Heithoff, Eva-Maria

2'-Deoxy-5-methylisocytidine

Acta Crystallographica Section C

2,000

56

8

989

991

10.1107/S0108270100006247

0.71073

MoKα

0.044

0.039

null

0.096

null

1.053

null

has coordinates,has Fobs

Seela, Frank; He, Yang; Reuter, Hans; Heithoff, Eva-Maria 2'-Deoxy-5-methylisocytidine Acta Crystallographica Section C 56(8) (2000) 989-991

301,798

2025-08-19

6:41:47

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2,011,228

7.804

0.0003

7.9946

0.0003

8.987

0.0003

106.331

0.003

108.534

0.003

105.041

0.003

471.17

0.03

293

2

293

2

null

6

P -1

-P 1

2

- C12 H12 N10 Ni O4 S2 -

1

0.5

Abul-Haj, Mohammad; Quirós, Miguel; Salas, Juan M.

Diaquabis{4,5-dihydro-[1,2,4]triazolo-[2,3-a]pyrimidin-5-one-N^3^} bis(thiocyanato-N)nickel(II)

Acta Crystallographica, Section C

2,000

56

934

935

10.1107/S0108270100007198

null

has coordinates

Abul-Haj, Mohammad; Quirós, Miguel; Salas, Juan M. Diaquabis{4,5-dihydro-[1,2,4]triazolo-[2,3-a]pyrimidin-5-one-N^3^} bis(thiocyanato-N)nickel(II) Acta Crystallographica, Section C 56 (2000) 934-935

301,798

2025-08-19

6:41:47

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2,011,229

20.012

0.008

8.929

0.003

16.473

0.005

90

null

93.34

0.04

90

null

2,938.5

1.8

293

2

293

2

null

4

C 1 2/c 1

-C 2yc

15

Dimethyl (1-Methyl-5-benzimidazolyl)aminomethylenepropanedioate Monohydrate

- C14 H17 N3 O5 -

- C112 H136 N24 O40 -

8

1

NA1459

Kettmann, Viktor; Lokaj, Jan; Kratky, Christoph; Milata, Viktor; Hodul, Pavol

Dimethyl (1-methyl-1,3-benzimidazol-5-yl)aminomethylenepropanedioate monohydrate

Acta Crystallographica Section C

2,000

56

8

1007

1008

10.1107/S0108270100006995

0.71073

MoKα

0.1367

0.0609

null

0.1749

null

0.1435

null

1.011

null

has coordinates,has Fobs

Kettmann, Viktor; Lokaj, Jan; Kratky, Christoph; Milata, Viktor; Hodul, Pavol Dimethyl (1-methyl-1,3-benzimidazol-5-yl)aminomethylenepropanedioate monohydrate Acta Crystallographica Section C 56(8) (2000) 1007-1008

301,798

2025-08-19

6:41:47

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2,011,230

9.0967

0.0014

8.8122

0.0013

12.5396

0.0014

90

null

94.91

0.01

90

null

1,001.5

0.2

293

2

293

2

null

6

P 1 21/c 1

-P 2ybc

14

Bis(4-Pyridineethanesulfonato-N) Tetraaquazinc

- C14 H24 N2 O10 S2 Zn -

- C28 H48 N4 O20 S4 Zn2 -

2

0.5

NA1464

Zeng, Xi-Rui; Xiong, Ren-Geng; Xu, Yan; Liu, Yong-Jiang; You, Xiao-Zeng

Tetraaquabis[2-(4-pyridyl)ethanesulfonato-N]zinc(II)

Acta Crystallographica Section C

2,000

56

8

943

944

10.1107/S0108270100007964

0.71073

MoKα

0.037

0.0329

null

0.0915

null

1.041

null

has coordinates,has Fobs

Zeng, Xi-Rui; Xiong, Ren-Geng; Xu, Yan; Liu, Yong-Jiang; You, Xiao-Zeng Tetraaquabis[2-(4-pyridyl)ethanesulfonato-N]zinc(II) Acta Crystallographica Section C 56(8) (2000) 943-944

301,798

2025-08-19

6:41:47

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2,011,231

7.713

0.002

10.653

0.003

12.535

0.003

108.08

0.05

101.01

0.04

101.51

0.06

923.4

0.6

293

3

293

3

null

6

P -1

-P 1

2

[2,6-diacetylpyridine bis(S-methylisothiosemicarbazone)]iodonickel(II)

- C13 H18 I N7 Ni S2 -

- C26 H36 I2 N14 Ni2 S4 -

2

1

NA1472

Leovac, Vukadin M.; Bogdanović, Goran A.; Češljević, Valerija I.; Divjaković, Vladimir

Transition metal complexes with thiosemicarbazide-based ligands. XV. A square-pyramidal Ni^II^ complex with an asymmetric coordination of 2,6-diacetylpyridine bis(S-methylisothiosemicarbazone)

Acta Crystallographica Section C

2,000

56

8

936

938

10.1107/S0108270100007228

0.71073

MoKα

0.0338

0.027

null

0.0733

null

0.0701

null

1.356

null

has coordinates,has Fobs

Leovac, Vukadin M.; Bogdanović, Goran A.; Češljević, Valerija I.; Divjaković, Vladimir Transition metal complexes with thiosemicarbazide-based ligands. XV. A square-pyramidal Ni^II^ complex with an asymmetric coordination of 2,6-diacetylpyridine bis(S-methylisothiosemicarbazone) Acta Crystallographica Sec...

301,798

2025-08-19

6:41:47

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2,011,232

26.23

0.005

5.881

0.0012

11.448

0.002

90

null

90

null

90

null

1,766

0.6

293

2

293

2

null

5

P c a 21

P 2c -2ac

29

VENLAFAXINE HYDROCHLORIDE

1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexanol hydrochloride (Venlafaxine Hydrochloride)

- C17 H28 Cl N O2 -

- C68 H112 Cl4 N4 O8 -

4

1

Vega, Daniel; Fernández, Daniel; Echeverría, Gustavo

1-[2-(1-Hydroxycyclohexyl)-2-(4-methoxyphenyl)ethyl]dimethylammonium chloride (venlafaxine hydrochloride)

Acta Crystallographica Section C Crystal Structure Communications

2,000

56

8

1009

1010

10.1107/S0108270100007009

0.71073

MoKα

0.0917

0.0434

null

0.1491

null

1.046

null

has coordinates

Vega, Daniel; Fernández, Daniel; Echeverría, Gustavo 1-[2-(1-Hydroxycyclohexyl)-2-(4-methoxyphenyl)ethyl]dimethylammonium chloride (venlafaxine hydrochloride) Acta Crystallographica Section C Crystal Structure Communications 56(8) (2000) 1009-1010

301,798

2025-08-19

6:41:47

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2,011,233

14.5439

0.0002

9.7314

0.0003

9.0181

0.0003

90

null

110.938

0.001

90

null

1,192.07

0.06

293

2

293

2

null

4

C 1 2/c 1

-C 2yc

15

1,2-dibenzoylhydrazine

- C14 H12 N2 O2 -

- C56 H48 N8 O8 -

4

0.5

NA1474

Shanmuga Sundara Raj, S; Yamin, Bohari M; Boshaala, Ahmed M.A.; Tarafder, M.T.H; Fun, Hoong-Kun

1,2-Dibenzoylhydrazine

Acta Crystallographica Section C

2,000

56

8

1011

1012

10.1107/S0108270100007010

0.71073

MoKα

0.0801

0.0534

null

0.164

null

0.959

null

has coordinates,has Fobs

Shanmuga Sundara Raj, S; Yamin, Bohari M; Boshaala, Ahmed M.A.; Tarafder, M.T.H; Fun, Hoong-Kun 1,2-Dibenzoylhydrazine Acta Crystallographica Section C 56(8) (2000) 1011-1012

301,798

2025-08-19

6:41:47

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2,011,234

7.306

0.002

7.759

0.002

13.141

0.003

89.28

0.02

79.34

0.02

75.63

0.02

708.7

0.3

213

null

213

null

4

P -1

-P 1

2

tetraethylammonium hydroxide pentahydrate

tetraethylammonium hydroxide-water (1/5)

- C8 H31 N O6 -

- C16 H62 N2 O12 -

2

1

NA1475

Wiebcke, Michael; Felsche, Jürgen

NEt~4~OH·5H~2~O containing hydroxide–water layers

Acta Crystallographica Section C

2,000

56

8

1050

1052

10.1107/S0108270100007976

0.71073

MoKα

0.092

0.04

null

0.108

null

0.976

null

has coordinates,has Fobs

Wiebcke, Michael; Felsche, Jürgen NEt~4~OH·5H~2~O containing hydroxide–water layers Acta Crystallographica Section C 56(8) (2000) 1050-1052

301,798

2025-08-19

6:41:47

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2,011,235

11.9398

0.0006

11.8595

0.0006

11.3972

0.0006

90

null

116.389

0.001

90

null

1,445.68

0.13

293

2

293

2

null

4

P 1 21/c 1

-P 2ybc

14

p-Methoxybenzaldehyde Benzoylhydrazone Monohydrate

- C15 H16 N2 O3 -

- C60 H64 N8 O12 -

4

1

NA1476

Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Lu, Zhong-Lin; Xiao, Wen; Gong, Xiao-Yang; Gen, Chang-Ming

p-Methoxybenzaldehyde benzoylhydrazone monohydrate

Acta Crystallographica Section C

2,000

56

8

1013

1014

10.1107/S010827010000799X

0.71073

MoKα

0.0992

0.0529

null

0.1198

null

0.925

null

has coordinates,has Fobs

Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Lu, Zhong-Lin; Xiao, Wen; Gong, Xiao-Yang; Gen, Chang-Ming p-Methoxybenzaldehyde benzoylhydrazone monohydrate Acta Crystallographica Section C 56(8) (2000) 1013-1014

301,798

2025-08-19

6:41:47

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2,011,236

7.679

0.004

7.004

0.005

10.372

0.005

90

null

107.43

0.04

90

null

532.2

0.5

293

2

293

2

null

5

P 1 21/m 1

-P 2yb

11

O-Isopropyl N-(2-furoyl)thiocarbamate

- C9 H11 N O3 S -

- C18 H22 N2 O6 S2 -

2

0.5

NA1477

Morales, Angel Dago; Novoa de Armas, Héctor; Blaton, Norbert M.; Peeters, Oswald M.; De Ranter, Camiel J.; Márquez, Heidy; Hernández, Ramón Pomés

O-Isopropyl N-(2-furoyl)thiocarbamate

Acta Crystallographica Section C

2,000

56

8

1042

1043

10.1107/S0108270100007514

0.71073

MoKα

0.169

0.055

null

0.134

null

0.979

null

has coordinates,has Fobs

Morales, Angel Dago; Novoa de Armas, Héctor; Blaton, Norbert M.; Peeters, Oswald M.; De Ranter, Camiel J.; Márquez, Heidy; Hernández, Ramón Pomés O-Isopropyl N-(2-furoyl)thiocarbamate Acta Crystallographica Section C 56(8) (2000) 1042-1043

301,798

2025-08-19

6:41:47

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2,011,237

7.513

0.0002

26.9091

0.0005

7.9141

0.0001

90

null

90

null

90

null

1,599.98

0.06

293

2

293

2

null

4

P n a 21

P 2c -2n

33

3-Methoxy-4-hydroxyl-benzaldehyde 4,5-Diaza-9-fluorenylidenehydrazone

- C19 H14 N4 O2 -

- C76 H56 N16 O8 -

4

1

NA1478

Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Lu, Zhong-Lin; Xiao, Wen; Gong, Xiao-Yang; Gen, Chang-Ming

4-Hydroxy-3-methoxybenzaldehyde 4,5-diazafluoren-9-ylidenehydrazone

Acta Crystallographica Section C

2,000

56

8

1015

1016

10.1107/S0108270100007988

0.71073

MoKα

0.0593

0.0405

null

0.0932

null

0.931

null

has coordinates,has Fobs

Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Lu, Zhong-Lin; Xiao, Wen; Gong, Xiao-Yang; Gen, Chang-Ming 4-Hydroxy-3-methoxybenzaldehyde 4,5-diazafluoren-9-ylidenehydrazone Acta Crystallographica Section C 56(8) (2000) 1015-1016

301,798

2025-08-19

6:41:47

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2,011,238

13.1846

0.0006

13.1846

0.0006

8.8493

0.0006

90

null

90

null

90

null

1,538.31

0.14

193

2

193

2

null

6

I -4

82

Tetrakis(3,4-ethylenedioxy-2-thienyl)silane carbon tetrachloride solvate

- C25 H20 Cl4 O8 S4 Si -

- C50 H40 Cl8 O16 S8 Si2 -

2

0.25

OA1098

Han, Bong-Hwan; Choi, Moon-Gun

Tetrakis(3,4-ethylenedioxy-2-thienyl)silane carbon tetrachloride solvate

Acta Crystallographica Section C

2,000

56

8

1001

1003

10.1107/S0108270100006740

0.71073

MoKα

0.03

0.028

null

0.074

null

1.005

null

has coordinates,has Fobs

Han, Bong-Hwan; Choi, Moon-Gun Tetrakis(3,4-ethylenedioxy-2-thienyl)silane carbon tetrachloride solvate Acta Crystallographica Section C 56(8) (2000) 1001-1003

301,798

2025-08-19

6:41:47

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2,011,239

6.449

0.002

8.638

0.002

28.414

0.017

90

null

90.48

0.04

90

null

1,582.8

1.1

273

2

273

2

null

4

P 1 21/n 1

-P 2yn

14

PCH3ON2

4-phenyl-2-[4-Methoxyphenyldiazenyl]phenol

- C19 H16 N2 O2 -

- C76 H64 N8 O8 -

4

1

OB1031

Jiménez-Cruz, Federico; Pérez-Caballero, Guadalupe; Hernández-Ortega, Simón; Rubio-Arroyo, Manuel

2-(4-Methoxyphenylazo)-4-phenylphenol

Acta Crystallographica Section C

2,000

56

8

1028

1029

10.1107/S0108270100007307

0.71073

MoKα

0.1232

0.0482

null

0.1268

null

0.767

null

has coordinates

Jiménez-Cruz, Federico; Pérez-Caballero, Guadalupe; Hernández-Ortega, Simón; Rubio-Arroyo, Manuel 2-(4-Methoxyphenylazo)-4-phenylphenol Acta Crystallographica Section C 56(8) (2000) 1028-1029

301,798

2025-08-19

6:41:47

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2,011,240

16.5579

0.0019

10.9208

0.0013

16.5426

0.0019

90

null

114.748

0.008

90

null

2,716.6

0.6

293

2

303

2

null

6

P 1 21/a 1

-P 2yab

14

1,3-bis(diphenylphosphino)propanetrichlorooxorhenium(V)

- C27 H26 Cl3 O P2 Re -

- C108 H104 Cl12 O4 P8 Re4 -

4

1

OS1104

Suescun, Leopoldo; Mombrú, Alvaro W.; Mariezcurrena, Raúl A.; Pardo, Helena; Russi, Silvia; Kremer, Carlos; Rivero, Mario; Kremer, Eduardo

[1,3-Bis(diphenylphosphino)propane]trichlorooxorhenium(V)

Acta Crystallographica Section C

2,000

56

8

930

931

10.1107/S0108270100006983

0.71069

MoKα

0.0396

0.0261

null

0.0717

null

1.049

null

has coordinates

Suescun, Leopoldo; Mombrú, Alvaro W.; Mariezcurrena, Raúl A.; Pardo, Helena; Russi, Silvia; Kremer, Carlos; Rivero, Mario; Kremer, Eduardo [1,3-Bis(diphenylphosphino)propane]trichlorooxorhenium(V) Acta Crystallographica Section C 56(8) (2000) 930-931

176,760

2020-10-21

18:00:00

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2,011,241

9.082

0.001

9.789

0.002

5.741

0.008

104.92

0.01

93.2

0.01

109.06

0.01

460.6

0.7

293

2

293

2

null

5

P -1

-P 1

2

2,2-dimethyl-1,3-propanediammonium chromate

- C5 H16 Cr N2 O4 -

- C10 H32 Cr2 N4 O8 -

2

1

QA0286

Chebbi, Hammouda; Hajem, Amen Allah; Driss, Ahmed

Chromate de 2,2-diméthylpropylènediammonium

Acta Crystallographica Section C

2,000

56

8

e333

e334

10.1107/S0108270100009677

0.71069

MoKα

0.048

0.035

null

0.088

null

1.117

null

has coordinates,has Fobs

Chebbi, Hammouda; Hajem, Amen Allah; Driss, Ahmed Chromate de 2,2-diméthylpropylènediammonium Acta Crystallographica Section C 56(8) (2000) e333-e334

301,798

2025-08-19

6:41:47

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2,011,242

13.7053

0.0012

13.9751

0.0012

14.4614

0.0012

80.665

0.002

87.283

0.002

87.942

0.002

2,729

0.4

293

2

293

2

null

7

P -1

-P 1

2

(4,6-Dimercapto-1,3,5-triazine-2-thiolato-S^2^)tris(triphenylphosphine-P)gold(I) dimethylformamide solvate

- C60 H54 Au N4 O P3 S3 -

- C60 H52 Au N4 O P3 S3 -

- C120 H104 Au2 N8 O2 P6 S6 -

2

1

QA0302

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

(4,6-Dimercapto-1,3,5-triazine-2-thiolato-S^2^)tris(triphenylphosphine-P)gold(I) dimethylformamide solvate

Acta Crystallographica Section C

2,000

56

8

e331

e332

10.1107/S0108270100009665

0.71073

MoKα

0.062

0.045

null

0.113

null

0.967

null

has coordinates

Zhao, Yingjun; Su, Weiping; Cao, Rong; Hong, Maochun (4,6-Dimercapto-1,3,5-triazine-2-thiolato-S^2^)tris(triphenylphosphine-P)gold(I) dimethylformamide solvate Acta Crystallographica Section C 56(8) (2000) e331-e332

211,196

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $ #$Revision: 211196 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/12/2011242.cif $ #-------------------------------------------------------------------...

2,011,243

10.73

0.002

9.659

0.002

15.287

0.003

90

null

92.49

0.02

90

null

1,582.9

0.5

293

2

293

2

null

4

P 1 21/n 1

-P 2yn

14

(2-Hydroxy-4-methylphenyl)bis(4-methylphenyl)phosphine Oxide

- C19 H17 O2 P -

- C76 H68 O8 P4 -

4

1

QA0310

Bélanger-Gariépy, Francine; Dartiguenave, Michèle; Loiseau, Frédérique; Beauchamp, André L.

(2-Hydroxy-5-methylphenyl)diphenylphosphine oxide

Acta Crystallographica Section C

2,000

56

8

e338

e339

10.1107/S0108270100008878

1.54178

CuKα

0.039

0.035

null

0.104

null

0.103

null

1.045

null

1.092

null

has coordinates

Bélanger-Gariépy, Francine; Dartiguenave, Michèle; Loiseau, Frédérique; Beauchamp, André L. (2-Hydroxy-5-methylphenyl)diphenylphosphine oxide Acta Crystallographica Section C 56(8) (2000) e338-e339

301,798

2025-08-19

6:41:47

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2,011,244

10.359

0.001

12.693

0.002

10.102

0.007

97.49

0.03

91.42

0.02

94.96

0.01

1,311.1

0.9

293

2

293

2

null

3

P -1

-P 1

2

- C31 H36 Hf -

- C62 H72 Hf2 -

2

1

QA0315

Swenson, Dale C.; Guo, Zhaoyu; Crowther, Donna J.; Baenziger, Norman C.; Jordan, Richard F.

Tribenzyl(η^5^-pentamethylcyclopentadienyl)hafnium(IV)

Acta Crystallographica Section C

2,000

56

8

e313

e314

10.1107/S010827010000888X

0.71073

MoKα

0.036

0.029

null

0.079

null

1.068

null

has coordinates,has disorder

Swenson, Dale C.; Guo, Zhaoyu; Crowther, Donna J.; Baenziger, Norman C.; Jordan, Richard F. Tribenzyl(η^5^-pentamethylcyclopentadienyl)hafnium(IV) Acta Crystallographica Section C 56(8) (2000) e313-e314

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/2/01/12/2011244.cif $ #-------------------------------------------------------------------...

2,011,245

20.647

0.002

11.835

0.001

17.275

0.002

90

null

96.253

0.005

90

null

4,196.2

0.7

293

2

293

2

null

7

C 1 c 1

C -2yc

9

Chloro(η^6^-p-cymene)(2-methyl-5-oxo-7-phenyl-5,6-dihydro-2H-1,2,4-triazepin- 3-thiolato-κ^2^N^4^,S)ruthenium

- C21 H24 Cl N3 O Ru S -

- C168 H192 Cl8 N24 O8 Ru8 S8 -

8

2

QA0323

Aitali, Mustapha; Ait Itto, My Youssef; Hasnaoui, Aisa; Riahi, Abdelkhalek; Karim, Abdellah; García-Granda, Santiago; Gutiérrez-Rodríguez, Angel

Chloro(η^6^-p-cymene)(2-methyl-5-oxo-7-phenyl-5,6-dihydro-2H-1,2,4-triazepine-3-thiolato-κ^2^N^4^,S)ruthenium(II)

Acta Crystallographica Section C

2,000

56

8

e315

e316

10.1107/S0108270100008891

1.54184

CuKα

0.051

0.049

null

0.119

null

1.033

null

has coordinates,has Fobs

Aitali, Mustapha; Ait Itto, My Youssef; Hasnaoui, Aisa; Riahi, Abdelkhalek; Karim, Abdellah; García-Granda, Santiago; Gutiérrez-Rodríguez, Angel Chloro(η^6^-p-cymene)(2-methyl-5-oxo-7-phenyl-5,6-dihydro-2H-1,2,4-triazepine-3-thiolato-κ^2^N^4^,S)ruthenium(II) Acta Crystallographica Section C ...

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/2/01/12/2011245.cif $ #-------------------------------------------------------------------...

2,011,246

13.0428

0.0006

15.053

0.0011

21.0245

0.0015

90

null

103.05

0.004

90

null

4,021.2

0.5

100

1

100

1

null

8

P 1 21/c 1

-P 2ybc

14

Aquabis(benzonitrile)(o-benzoquinone diimine)(triphenylphosphine)ruthenium(II) bis(tetrafluoroborate) hydrate

- C38 H35 B2 F8 N4 O2 P Ru -

- C152 H140 B8 F32 N16 O8 P4 Ru4 -

4

1

QA0326

Venegas-Yazigi, Diego; Lever, A. B. P.; Lough, Alan J.; Vega, Andrés; Paredes-García, Verónica; Costamagna, Juan; Latorre, Ramón

Aquabis(benzonitrile)(o-benzoquinone diimine)(triphenylphosphine)ruthenium(II) bis(tetrafluoroborate) hydrate

Acta Crystallographica Section C

2,000

56

8

e323

e324

10.1107/S0108270100009215

0.71073

MoKα

0.099

0.056

null

0.167

null

1.022

null

has coordinates,has Fobs

Venegas-Yazigi, Diego; Lever, A. B. P.; Lough, Alan J.; Vega, Andrés; Paredes-García, Verónica; Costamagna, Juan; Latorre, Ramón Aquabis(benzonitrile)(o-benzoquinone diimine)(triphenylphosphine)ruthenium(II) bis(tetrafluoroborate) hydrate Acta Crystallographica Section C 56(8) (2000) e323-e324

301,798

2025-08-19

6:41:47

#------------------------------------------------------------------------------ #$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/2/01/12/2011246.cif $ #-------------------------------------------------------------------...

2,011,247

6.308

0.004

6.892

0.004

10.875

0.007

74.57

0.01

73.78

0.01

64.41

0.01

403.6

0.4

173

null

173

2

null

3

P -1

-P 1

2

cis-4-cyclohexene-1,2-dicarboxylic acid

- C8 H10 O4 -

- C16 H20 O8 -

2

1

QA0328

Bolte, Michael; Degen, Alexander

Redetermination of cis-4-cyclohexene-1,2-dicarboxylic acid at 173K

Acta Crystallographica Section C

2,000

56

8

e340

10.1107/S0108270100008908

0.71073

MoKα

0.085

0.052

null

0.127

null

1.078

null

has coordinates,has Fobs

Bolte, Michael; Degen, Alexander Redetermination of cis-4-cyclohexene-1,2-dicarboxylic acid at 173K Acta Crystallographica Section C 56(8) (2000) e340-e340

301,798

2025-08-19

6:41:47

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2,011,248

19.401

0.008

22.383

0.009

20.805

0.009

90

null

107.89

0.04

90

null

8,598

6

193

2

193

2

null

8

C 1 2 1

C 2y

5

{2,2'-[(R,R)-Cyclohexane-1,2-diylbis(nitrilomethylidyne)]bis(6-tert-butyl-4- (triphenylphosphoniomethyl)phenolato-O,N,N',O'}copper(II) dichloride hexakis(deuterochloroform) solvate

- C72 H68 Cl20 Cu D6 N2 O2 P2 -

- C288 H272 Cl80 Cu4 D24 N8 O8 P8 -

4

1

QA0329

Pajunen, Aarne; Mutikainen, Ilpo; Haikarainen, Anssi; Sipilä, Jussi; Pietikäinen, Pekka

{2,2'-[(R,R)-Cyclohexane-1,2-diylbis(nitrilomethylidyne)]bis[6-tert-butyl-4-(triphenylphosphoniomethyl)phenolato]-O,N,N',O'}copper(II) dichloride hexakis(deuterochloroform) solvate

Acta Crystallographica Section C

2,000

56

8

e321

e322

10.1107/S0108270100009203

0.71073

MoKα

0.108

0.067

null

0.188

null

1.046

null

has coordinates,has Fobs

Pajunen, Aarne; Mutikainen, Ilpo; Haikarainen, Anssi; Sipilä, Jussi; Pietikäinen, Pekka {2,2'-[(R,R)-Cyclohexane-1,2-diylbis(nitrilomethylidyne)]bis[6-tert-butyl-4-(triphenylphosphoniomethyl)phenolato]-O,N,N',O'}copper(II) dichloride hexakis(deuterochloroform) solvate Ac...

301,798

2025-08-19

6:41:47

#------------------------------------------------------------------------------ #$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/2/01/12/2011248.cif $ #-------------------------------------------------------------------...

2,011,249

11.0632

0.0005

15.8711

0.0009

9.9597

0.0004

90

null

97.559

0.003

90

null

1,733.58

0.14

293

2

293

2

null

5

P 1 21/c 1

-P 2ybc

14

bis(2-carboxybenzeneammonium) sulfate monohydrate

bis(anthranilium) sulfate monohydrate

- C14 H18 N2 O9 S -

- C56 H72 N8 O36 S4 -

4

1

QA0330

Slouf, Miroslav

Bis(2-carboxyanilinium) sulfate monohydrate

Acta Crystallographica Section C

2,000

56

8

e353

10.1107/S010827010000915X

0.7107

MoKα

0.08

0.053

null

0.14

null

1.026

null

has coordinates,has Fobs

Slouf, Miroslav Bis(2-carboxyanilinium) sulfate monohydrate Acta Crystallographica Section C 56(8) (2000) e353-e353

301,798

2025-08-19

6:41:47

#------------------------------------------------------------------------------ #$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/2/01/12/2011249.cif $ #-------------------------------------------------------------------...

2,011,250

7.6624

0.0006

5.5762

0.0004

15.2489

0.0011

90

null

90

null

90

null

651.54

0.08

100

2

100

2

null

4

P n a 21

P 2c -2n

33

phenylphosphinic acid

- C6 H7 O2 P -

- C24 H28 O8 P4 -

4

1

QA0333

Robert A. Burrow; David H. Farrar; Alan J. Lough; Márcia R. Siqueira; Fatima Squizani

Phenylphosphinic acid

Acta Crystallographica Section C

2,000

56

8

e357

e358

10.1107/S0108270100009227

0.71073

MoKα

0.049

0.038

null

0.089

null

1.064

null

has coordinates,has Fobs

Robert A. Burrow; David H. Farrar; Alan J. Lough; Márcia R. Siqueira; Fatima Squizani Phenylphosphinic acid Acta Crystallographica Section C 56(8) (2000) e357-e358

301,798

2025-08-19

6:41:47

#------------------------------------------------------------------------------ #$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/2/01/12/2011250.cif $ #-------------------------------------------------------------------...

2,011,251

9.727

0.002

16.632

0.004

7.104

0.002

90

null

90

null

90

null

1,149.3

0.5

210

2

210

2

null

4

P 21 21 21

P 2ac 2ab

19

- C11 H13 N5 O2 -

- C44 H52 N20 O8 -

4

1

QA0334

Swenson, Dale C.; Nair, Vasu; Bera, Sanjib

Two isomeric dideoxynucleosides

Acta Crystallographica Section C

2,000

56

8

e343

e345

10.1107/S0108270100008921

0.71073

MoKα

0.025

0.023

null

0.064

null

1.107

null

has coordinates

Swenson, Dale C.; Nair, Vasu; Bera, Sanjib Two isomeric dideoxynucleosides Acta Crystallographica Section C 56(8) (2000) e343-e345

301,798

2025-08-19

6:41:47

#------------------------------------------------------------------------------ #$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/2/01/12/2011251.cif $ #-------------------------------------------------------------------...

2,011,252

8.496

0.004

18.53

0.006

7.226

0.002

90

null

90.81

0.04

90

null

1,137.5

0.7

200

2

200

2

null

4

P 1 21 1

P 2yb

4

- C11 H13 N5 O2 -

- C44 H52 N20 O8 -

4

2

QA0334

Swenson, Dale C.; Nair, Vasu; Bera, Sanjib

Two isomeric dideoxynucleosides

Acta Crystallographica Section C

2,000

56

8

e343

e345

10.1107/S0108270100008921

0.71073

MoKα

0.07

0.049

null

0.133

null

0.973

null

has coordinates,has Fobs

Swenson, Dale C.; Nair, Vasu; Bera, Sanjib Two isomeric dideoxynucleosides Acta Crystallographica Section C 56(8) (2000) e343-e345

301,798

2025-08-19

6:41:47

#------------------------------------------------------------------------------ #$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/2/01/12/2011252.cif $ #-------------------------------------------------------------------...

2,011,253

9.131

0.002

22.09

0.005

7.175

0.003

90

null

90.67

0.03

90

null

1,447.1

0.8

150

2

150

2

null

5

P 1 21/n 1

-P 2yn

14

n-butylammonium dihydrogenphosphate

- C3 H12 N O4 P -

- C24 H96 N8 O32 P8 -

8

2

QA0335

Fábry, Jan; Císařová, Ivana; Kroupa, Jan

Ferroelastic n-propylammonium dihydrogenphosphate

Acta Crystallographica Section C

2,000

56

8

e359

e360

10.1107/S0108270100009598

0.71073

MoKα

0.082

0.034

null

0.039

null

0.039

null

1.39

null

has coordinates,has Fobs

Fábry, Jan; Císařová, Ivana; Kroupa, Jan Ferroelastic n-propylammonium dihydrogenphosphate Acta Crystallographica Section C 56(8) (2000) e359-e360

301,798

2025-08-19

6:41:47

#------------------------------------------------------------------------------ #$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/2/01/12/2011253.cif $ #-------------------------------------------------------------------...

2,011,254

9.438

0.002

8.529

0.002

16.503

0.003

90

null

98.38

0.03

90

null

1,314.3

0.5

133

2

133

2

null

4

P 1 21 1

P 2yb

4

(6R)-6-(3'β-acetoxy-5'-androsten-17'β-yl)-2-phenyl- 5,6-dihydro-4H-[1,3]oxazine

- C31 H41 N O3 -

- C62 H82 N2 O6 -

2

1

QA0336

Hewitt, Manuel; Schneider, Thomas R.; Szemerédi, Zsuzsanna; Hajnal, Andrea; Wölfling, Janos; Schneider, Gyula

A steroidal phenyldihydro-1,3-oxazine derivative

Acta Crystallographica Section C

2,000

56

8

e363

e364

10.1107/S0108270100009628

0.71073

MoKα

0.042

0.035

null

0.083

null

1.076

null

has coordinates,has disorder

Hewitt, Manuel; Schneider, Thomas R.; Szemerédi, Zsuzsanna; Hajnal, Andrea; Wölfling, Janos; Schneider, Gyula A steroidal phenyldihydro-1,3-oxazine derivative Acta Crystallographica Section C 56(8) (2000) e363-e364

301,798

2025-08-19

6:41:47

#------------------------------------------------------------------------------ #$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/2/01/12/2011254.cif $ #-------------------------------------------------------------------...

2,011,255

17.0545

0.001

10.5812

0.0006

15.9456

0.0007

90

null

91.332

0.006

90

null

2,876.7

0.3

150

2

150

2

null

6

C 1 2/c 1

-C 2yc

15

Tris(2,2'-bipyridyl-N,N')iron(II) diperchlorate

- C30 H24 Cl2 Fe N6 O8 -

- C120 H96 Cl8 Fe4 N24 O32 -

4

0.5

QA0337

Batten, Stuart R.; Murray, Keith S.; Sinclair, Nathan J.

Tris(2,2'-bipyridyl-N,N')iron(II) diperchlorate

Acta Crystallographica Section C

2,000

56

8

e320

10.1107/S0108270100009185

0.71073

MoKα

0.118

0.061

null

0.137

null

1.061

null

has coordinates,has Fobs

Batten, Stuart R.; Murray, Keith S.; Sinclair, Nathan J. Tris(2,2'-bipyridyl-N,N')iron(II) diperchlorate Acta Crystallographica Section C 56(8) (2000) e320-e320

301,798

2025-08-19

6:41:47

#------------------------------------------------------------------------------ #$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/2/01/12/2011255.cif $ #-------------------------------------------------------------------...

2,011,256

12.874

0.004

13.76

0.005

24.974

0.007

98.82

0.03

93.97

0.02

117.8

0.03

3,817

2

293

2

293

2

null

5

P -1

-P 1

2

methyltriphenylstibonium tetrafluoroborate

- C19 H18 B F4 Sb -

- C152 H144 B8 F32 Sb8 -

8

4

QA0338

Low, John Nicolson; Ferguson, George; Wardell, James L.

Methyltriphenylstibonium tetrafluoroborate

Acta Crystallographica Section C

2,000

56

8

e317

10.1107/S0108270100008945

0.7093

MoKα

0.11

0.057

null

0.181

null

1.028

null

has coordinates,has Fobs

Low, John Nicolson; Ferguson, George; Wardell, James L. Methyltriphenylstibonium tetrafluoroborate Acta Crystallographica Section C 56(8) (2000) e317-e317

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/2/01/12/2011256.cif $ #-------------------------------------------------------------------...

2,011,257

14.061

0.005

6.644

0.003

21.018

0.01

90

null

96.82

0.03

90

null

1,949.6

1.5

293

2

293

2

null

4

P 1 21/c 1

-P 2ybc

14

[2-(1-3H-Indenyl)ethyl]-diphenylphosphineborane

- C23 H24 B P -

- C92 H96 B4 P4 -

4

1

QA0339

Groux, Laurent F.; Zargarian, Davit

[2-(1H-Inden-3-yl)ethyl]diphenylphosphine–borane

Acta Crystallographica Section C

2,000

56

8

e366

e367

10.1107/S0108270100009690

1.54056

CuKα

0.099

0.037

null

0.078

null

0.067

null

0.642

null

0.853

null

has coordinates,has Fobs

Groux, Laurent F.; Zargarian, Davit [2-(1H-Inden-3-yl)ethyl]diphenylphosphine–borane Acta Crystallographica Section C 56(8) (2000) e366-e367

301,798

2025-08-19

6:41:47

#------------------------------------------------------------------------------ #$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/2/01/12/2011257.cif $ #-------------------------------------------------------------------...

2,011,258

9.3965

0.0002

10.5437

0.0003

13.2813

0.0004

109.612

0.0016

90.009

0.002

103.902

0.002

1,198.48

0.06

291

1

291

1

null

5

P -1

-P 1

2

- C26 H35 N O2 S -

- C52 H70 N2 O4 S2 -

2

1

QA0340

Hollmann, Christoph; Schürmann, Markus; Preut, Hans; Eilbracht, Peter

N-Benzyl-4-methyl-N-[(3aR*,4R*,7aR*)-6,6,7a-trimethylperhydroinden-4-yl]benzenesulfonamide

Acta Crystallographica Section C

2,000

56

8

e352

10.1107/S0108270100009148

0.71073

MoKα

0.078

0.044

null

0.123

null

1.001

null

has coordinates,has Fobs

Hollmann, Christoph; Schürmann, Markus; Preut, Hans; Eilbracht, Peter N-Benzyl-4-methyl-N-[(3aR*,4R*,7aR*)-6,6,7a-trimethylperhydroinden-4-yl]benzenesulfonamide Acta Crystallographica Section C 56(8) (2000) e352-e352

301,798

2025-08-19

6:41:47

#------------------------------------------------------------------------------ #$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/2/01/12/2011258.cif $ #-------------------------------------------------------------------...

2,011,259

16.259

0.0006

8.0575

0.0002

14.7794

0.0006

90

null

121.967

0.002

90

null

1,642.58

0.11

293

2

293

2

null

4

C 1 2/c 1

-C 2yc

15

3,6-Bis[(4-hydroxyphenyl)methyl]piperazine-2,5-dione

- C18 H18 N2 O4 -

- C72 H72 N8 O16 -

4

0.5

QA0342

Razak, Ibrahim Abdul; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Chen, Zhen-Feng; Zhang, Jing; Xiong, Ren-Gen; You, Xiao-Zeng

3,6-Bis(4-hydroxybenzyl)piperazine-2,5-dione

Acta Crystallographica Section C

2,000

56

8

e341

e342

10.1107/S010827010000891X

0.71073

MoKα

0.112

0.055

null

0.146

null

0.9

null

has coordinates,has Fobs

Razak, Ibrahim Abdul; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Chen, Zhen-Feng; Zhang, Jing; Xiong, Ren-Gen; You, Xiao-Zeng 3,6-Bis(4-hydroxybenzyl)piperazine-2,5-dione Acta Crystallographica Section C 56(8) (2000) e341-e342

301,798

2025-08-19

6:41:47

#------------------------------------------------------------------------------ #$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/2/01/12/2011259.cif $ #-------------------------------------------------------------------...

2,011,260

6.66

0.001

31.984

0.008

7.123

0.002

90

null

114.93

0.02

90

null

1,375.9

0.6

298

2

298

2

null

4

P 1 21/n 1

-P 2yn

14

7-Methoxy-3-(salicylideneamino)coumarin

- C17 H13 N O4 -

- C68 H52 N4 O16 -

4

1

QA0343

Khoo, Lian Ee; Zhang, Yiqun; Ng, Seik Weng

7-Methoxy-3-(salicylideneamino)coumarin

Acta Crystallographica Section C

2,000

56

8

e350

e351

10.1107/S0108270100009136

0.71073

MoKα

0.108

0.056

null

0.172

null

1.054

null

has coordinates,has Fobs

Khoo, Lian Ee; Zhang, Yiqun; Ng, Seik Weng 7-Methoxy-3-(salicylideneamino)coumarin Acta Crystallographica Section C 56(8) (2000) e350-e351

301,798

2025-08-19

6:41:47

#------------------------------------------------------------------------------ #$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/2/01/12/2011260.cif $ #-------------------------------------------------------------------...