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

2,011,261

6.8821

0.0002

13.4754

0.0004

12.0807

0.0004

90

null

100.338

0.0019

90

null

1,102.16

0.06

291

1

291

1

null

3

P 1 21/c 1

-P 2ybc

14

- C12 H16 O4 -

- C48 H64 O16 -

4

1

QA0344

Roggenbuck, Rafael; Schürmann, Markus; Preut, Hans; Eilbracht, Peter

(5S*,6R*)-1,7-Dioxadispiro[4.0.4.4]tetradecane-2,8-dione

Acta Crystallographica Section C

2,000

56

8

e356

10.1107/S0108270100009173

0.71073

MoKα

0.073

0.038

null

0.101

null

0.953

null

has coordinates,has Fobs

Roggenbuck, Rafael; Schürmann, Markus; Preut, Hans; Eilbracht, Peter (5S*,6R*)-1,7-Dioxadispiro[4.0.4.4]tetradecane-2,8-dione Acta Crystallographica Section C 56(8) (2000) e356-e356

301,798

2025-08-19

6:41:47

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2,011,262

8.8863

0.0019

8.8863

0.0019

21.299

0.006

90

null

90

null

90

null

1,681.9

0.7

168

2

168

2

null

6

P 41

P 4w

76

(+)-(2R,3S)-3-Bromo-2-chloro-N,N-diisopropyl-3-phenylpropanamide

- C15 H21 Br Cl N O -

- C60 H84 Br4 Cl4 N4 O4 -

4

1

QA0345

Chan, Bun; Wong Leh See, Elicia; Simpson, Jim; Tan, Eng Wui

(+)-(2R,3S)-3-Bromo-2-chloro-N,N-diisopropyl-3-phenylpropanamide and (+)-(2R,3S)-3-bromo-2-chloro-N-(4-nitrophenyl)-3-phenylpropanamide

Acta Crystallographica Section C

2,000

56

8

e354

e355

10.1107/S0108270100009161

0.71073

MoKα

0.071

0.053

null

0.133

null

0.992

null

has coordinates,has Fobs

Chan, Bun; Wong Leh See, Elicia; Simpson, Jim; Tan, Eng Wui (+)-(2R,3S)-3-Bromo-2-chloro-N,N-diisopropyl-3-phenylpropanamide and (+)-(2R,3S)-3-bromo-2-chloro-N-(4-nitrophenyl)-3-phenylpropanamide Acta Crystallographica Section C 56(8) (2000) e354-e355

301,798

2025-08-19

6:41:47

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2,011,263

13.9

0.004

14.648

0.005

15.553

0.005

90

null

90

null

90

null

3,166.7

1.7

170

2

170

2

null

6

P 21 21 21

P 2ac 2ab

19

(+)-(2R,3S)-3-Bromo-2-chloro-N-(4-nitrophenyl)-3-phenylpropanamide

- C15 H12 Br Cl N2 O3 -

- C120 H96 Br8 Cl8 N16 O24 -

8

2

QA0345

Chan, Bun; Wong Leh See, Elicia; Simpson, Jim; Tan, Eng Wui

(+)-(2R,3S)-3-Bromo-2-chloro-N,N-diisopropyl-3-phenylpropanamide and (+)-(2R,3S)-3-bromo-2-chloro-N-(4-nitrophenyl)-3-phenylpropanamide

Acta Crystallographica Section C

2,000

56

8

e354

e355

10.1107/S0108270100009161

0.71073

MoKα

0.052

0.033

null

0.066

null

0.967

null

has coordinates,has Fobs

Chan, Bun; Wong Leh See, Elicia; Simpson, Jim; Tan, Eng Wui (+)-(2R,3S)-3-Bromo-2-chloro-N,N-diisopropyl-3-phenylpropanamide and (+)-(2R,3S)-3-bromo-2-chloro-N-(4-nitrophenyl)-3-phenylpropanamide Acta Crystallographica Section C 56(8) (2000) e354-e355

301,798

2025-08-19

6:41:47

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2,011,264

21.079

0.002

10.324

0.004

15.8637

0.0018

90

null

109.78

0.009

90

null

3,248.6

1.4

298

2

298

2

null

5

C 1 2/c 1

-C 2yc

15

- H30 Mo6 Nd2 O38 Pt -

- Mo6 Nd2 O38 Pt -

- Mo24 Nd8 O152 Pt4 -

4

0.5

QA0346

Lee, Uk; Joo, Hea Chung

Dineodymium dihydrogen α-hexamolybdoplatinate(IV) tetradecahydrate, Nd~2~[H~2~α-PtMo~6~O~24~]·14H~2~O

Acta Crystallographica Section C

2,000

56

8

e311

e312

10.1107/S0108270100009689

0.71069

MoKα

0.081

0.05

null

0.12

null

1.132

null

has coordinates,has Fobs

Lee, Uk; Joo, Hea Chung Dineodymium dihydrogen α-hexamolybdoplatinate(IV) tetradecahydrate, Nd~2~[H~2~α-PtMo~6~O~24~]·14H~2~O Acta Crystallographica Section C 56(8) (2000) e311-e312

176,760

2020-10-21

18:00:00

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2,011,265

44.44

0.02

9.651

0.004

19.527

0.007

90

null

111.7

0.03

90

null

7,781

6

298

2

298

2

null

6

C 1 2/c 1

-C 2yc

15

(3,5-dinitrobenzoato)bis(triphenylphosphine)silver(I)

- C43 H33 Ag N2 O6 P2 -

- C344 H264 Ag8 N16 O48 P16 -

8

1

QA0348

Othman, Abdul Hamid; Yang, Yang-Yi; Chen, Xiao-Ming; Ng, Seik Weng

Trigonal‒planar silver coordination in (3,5-dinitrobenzoato)bis(triphenylphosphine)silver(I)

Acta Crystallographica Section C

2,000

56

8

e318

e319

10.1107/S0108270100008957

0.71073

MoKα

0.069

0.042

null

0.11

null

1.029

null

has coordinates,has Fobs

Othman, Abdul Hamid; Yang, Yang-Yi; Chen, Xiao-Ming; Ng, Seik Weng Trigonal‒planar silver coordination in (3,5-dinitrobenzoato)bis(triphenylphosphine)silver(I) Acta Crystallographica Section C 56(8) (2000) e318-e319

176,760

2020-10-21

18:00:00

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2,011,266

9.23

0.008

10.907

0.006

12.056

0.012

112.68

0.06

95.2

0.07

106.05

0.06

1,049.2

1.7

293

2

293

2

null

4

P -1

-P 1

2

- C26 H20 N2 S2 -

- C52 H40 N4 S4 -

2

1

QA0350

Sen, Liao; Su, Cheng-Yong; Zhang, Ze-Fu; Liu, Han-Qin; Zhu, Hai-Liang

1,2-Bis(8-quinolylthiomethyl)benzene

Acta Crystallographica Section C

2,000

56

8

e348

e349

10.1107/S0108270100009124

0.71073

MoKα

0.082

0.046

null

0.111

null

1.03

null

has coordinates,has Fobs

Sen, Liao; Su, Cheng-Yong; Zhang, Ze-Fu; Liu, Han-Qin; Zhu, Hai-Liang 1,2-Bis(8-quinolylthiomethyl)benzene Acta Crystallographica Section C 56(8) (2000) e348-e349

301,798

2025-08-19

6:41:47

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2,011,267

19.6683

0.0016

18.7739

0.0016

19.8049

0.0017

90

null

117.201

0.001

90

null

6,504.2

0.9

183

2

183

2

null

7

P 1 21/c 1

-P 2ybc

14

- C32 H23 B F15 In N2 O -

- C32.0025 H23 B F15 In N2 O -

- C256.02 H184 B8 F120 In8 N16 O8 -

8

2

QA0351

Guzei, Ilia A.; Delpech, Fabien; Jordan, Richard F.

[Hydroxytris(pentafluorophenyl)borato-O][N-isopropyl-2-(isopropylamino)troponiminato-N]methylindium(III)

Acta Crystallographica Section C

2,000

56

8

e327

e328

10.1107/S010827010000963X

0.71073

MoKα

0.058

0.031

null

0.075

null

0.966

null

has coordinates,has disorder,has Fobs

Guzei, Ilia A.; Delpech, Fabien; Jordan, Richard F. [Hydroxytris(pentafluorophenyl)borato-O][N-isopropyl-2-(isopropylamino)troponiminato-N]methylindium(III) Acta Crystallographica Section C 56(8) (2000) e327-e328

176,760

2020-10-21

18:00:00

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2,011,268

15.594

0.003

16.837

0.002

5.6919

0.0008

90

null

90

null

90

null

1,494.4

0.4

293

2

293

2

null

3

P 21 21 21

P 2ac 2ab

19

(1R,8R,11R)-3,3,11-Trimethyl-6,6-ethylenedioxybicyclo[6.3.0]undecan-2-one

- C16 H26 O3 -

- C64 H104 O12 -

4

1

QA0352

Yoshinobu Inouye

(1R,8R,11R)-3,3,11-Trimethyl-6,6-ethylenedioxybicyclo[6.3.0]undecan-2-one and (1R,2R,8R,11R)-3,3,11-trimethyl-6,6-ethylenedioxybicyclo[6.3.0]undecan-2-ol

Acta Crystallographica Section C

2,000

56

8

e361

e362

10.1107/S0108270100009616

0.71073

MoKα

0.172

0.068

null

0.253

null

0.168

null

1.066

null

1.038

null

has coordinates,has Fobs

Yoshinobu Inouye (1R,8R,11R)-3,3,11-Trimethyl-6,6-ethylenedioxybicyclo[6.3.0]undecan-2-one and (1R,2R,8R,11R)-3,3,11-trimethyl-6,6-ethylenedioxybicyclo[6.3.0]undecan-2-ol Acta Crystallographica Section C 56(8) (2000) e361-e362

301,798

2025-08-19

6:41:47

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2,011,269

10.368

0.003

16.3349

0.0014

10.211

0.003

90

null

116.614

0.012

90

null

1,546.1

0.7

293

2

293

2

null

3

P 1 21 1

P 2yb

4

(1R,2R,8R,11R)-3,3,11-Trimethyl-6,6-ethylenedioxybicyclo[6.3.0]undecan-2-ol

- C16 H28 O3 -

- C64 H112 O12 -

4

2

QA0352

Yoshinobu Inouye

(1R,8R,11R)-3,3,11-Trimethyl-6,6-ethylenedioxybicyclo[6.3.0]undecan-2-one and (1R,2R,8R,11R)-3,3,11-trimethyl-6,6-ethylenedioxybicyclo[6.3.0]undecan-2-ol

Acta Crystallographica Section C

2,000

56

8

e361

e362

10.1107/S0108270100009616

0.71073

MoKα

0.075

0.045

null

0.127

null

0.111

null

1.046

null

1.064

null

has coordinates,has disorder,has Fobs

Yoshinobu Inouye (1R,8R,11R)-3,3,11-Trimethyl-6,6-ethylenedioxybicyclo[6.3.0]undecan-2-one and (1R,2R,8R,11R)-3,3,11-trimethyl-6,6-ethylenedioxybicyclo[6.3.0]undecan-2-ol Acta Crystallographica Section C 56(8) (2000) e361-e362

301,798

2025-08-19

6:41:47

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2,011,270

8.0276

0.001

8.7013

0.0011

9.543

0.002

90

null

105.901

0.013

90

null

641.08

0.18

293

2

296

2

null

4

P 1 2/n 1

-P 2yac

13

Ethylene diammonium bis(hydrogenmalonate) monohydrate

- C8 H18 N2 O9 -

- C16 H36 N4 O18 -

2

0.5

QA0353

Barnes, John C.; Weakley, Timothy J. R.

Hydrogen bonding in ethylenediammonium bis(hydrogen malonate) monohydrate

Acta Crystallographica Section C

2,000

56

8

e346

e347

10.1107/S0108270100008933

0.71073

MoKα

0.058

0.044

null

0.159

null

0.787

null

has coordinates

Barnes, John C.; Weakley, Timothy J. R. Hydrogen bonding in ethylenediammonium bis(hydrogen malonate) monohydrate Acta Crystallographica Section C 56(8) (2000) e346-e347

301,798

2025-08-19

6:41:47

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2,011,271

12.166

0.0004

5.5725

0.0002

14.5413

0.0004

90

null

109.247

0.002

90

null

930.73

0.05

150

null

150

null

5

P 1 21 1

P 2yb

4

p-Cresyl 2,3-anhydro-5-phthalimido-1-thio-α-D-lyxofuranoside

- C20 H17 N O4 S -

- C40 H34 N2 O8 S2 -

2

1

QA0356

Gallucci, Judith C.; Gadikota, Rajendrakumar Reddy; Lowary, Todd L.

p-Cresyl 2,3-anhydro-5-deoxy-5-phthalimido-1-thio-α-D-lyxofuranoside

Acta Crystallographica Section C

2,000

56

8

e365

10.1107/S0108270100009641

0.71073

MoKα

0.058

0.047

null

0.106

null

0.102

null

1.048

null

1.086

null

has coordinates,has Fobs

Gallucci, Judith C.; Gadikota, Rajendrakumar Reddy; Lowary, Todd L. p-Cresyl 2,3-anhydro-5-deoxy-5-phthalimido-1-thio-α-D-lyxofuranoside Acta Crystallographica Section C 56(8) (2000) e365-e365

301,798

2025-08-19

6:41:47

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2,011,272

10.146

0.004

9.003

0.007

15.035

0.002

90

null

92.28

0.02

90

null

1,372.3

1.2

296

null

296

null

6

P 1 21/n 1

-P 2yn

14

- C8 H14 I2 N2 O2 Pt -

- C32 H56 I8 N8 O8 Pt4 -

4

1

QA0357

Saltmarsh, Jennifer A.; Howell, Bob A.; Squattrito, Philip J.

cis-Bis(3,6-dihydro-2H-1,2-oxazine-N)diiodoplatinum(II) and cis-bis(3,4,5,6-tetrahydro-2H-1,2-oxazine-N)diiodoplatinum(II)

Acta Crystallographica Section C

2,000

56

8

e335

e337

10.1107/S0108270100009707

0.7107

MoKα

null

0.03

null

0.028

null

1.48

null

has coordinates,has Fobs

Saltmarsh, Jennifer A.; Howell, Bob A.; Squattrito, Philip J. cis-Bis(3,6-dihydro-2H-1,2-oxazine-N)diiodoplatinum(II) and cis-bis(3,4,5,6-tetrahydro-2H-1,2-oxazine-N)diiodoplatinum(II) Acta Crystallographica Section C 56(8) (2000) e335-e337

176,760

2020-10-21

18:00:00

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2,011,273

9.379

0.005

9.537

0.004

8.95

0.004

91.1

0.04

98.37

0.04

66.98

0.04

728.3

0.6

296

null

296

null

6

P -1

-P 1

2

- C8 H18 I2 N2 O2 Pt -

- C16 H36 I4 N4 O4 Pt2 -

2

1

QA0357

Saltmarsh, Jennifer A.; Howell, Bob A.; Squattrito, Philip J.

cis-Bis(3,6-dihydro-2H-1,2-oxazine-N)diiodoplatinum(II) and cis-bis(3,4,5,6-tetrahydro-2H-1,2-oxazine-N)diiodoplatinum(II)

Acta Crystallographica Section C

2,000

56

8

e335

e337

10.1107/S0108270100009707

0.7107

MoKα

null

0.052

null

0.058

null

2.7

null

has coordinates

Saltmarsh, Jennifer A.; Howell, Bob A.; Squattrito, Philip J. cis-Bis(3,6-dihydro-2H-1,2-oxazine-N)diiodoplatinum(II) and cis-bis(3,4,5,6-tetrahydro-2H-1,2-oxazine-N)diiodoplatinum(II) Acta Crystallographica Section C 56(8) (2000) e335-e337

176,760

2020-10-21

18:00:00

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2,011,274

9.486

0.0019

18.974

0.004

10.759

0.002

90

null

92.48

0.03

90

null

1,934.7

0.7

293

2

293

2

null

5

P 1 21/c 1

-P 2ybc

14

catena-poly[[[diaqua(isonicotinato-O,O')europium(III)]-di-μ-isonicotinato-O:O'] dihydrate]

- C18 H16 Eu N3 O8 -

- C72 H64 Eu4 N12 O32 -

4

1

QA0360

Zeng, Xi-Rui; Xu, Yan; Xiong, Ren-Geng; Zhang, Li-Juan; You, Xiao-Zeng

catena-Poly[[diaqua(isonicotinato-O,O')europium(III)]-di-μ-isonicotinato-O:O']

Acta Crystallographica Section C

2,000

56

8

e325

e326

10.1107/S0108270100009604

0.71073

MoKα

0.03

0.025

null

0.07

null

1.091

null

has coordinates,has Fobs

Zeng, Xi-Rui; Xu, Yan; Xiong, Ren-Geng; Zhang, Li-Juan; You, Xiao-Zeng catena-Poly[[diaqua(isonicotinato-O,O')europium(III)]-di-μ-isonicotinato-O:O'] Acta Crystallographica Section C 56(8) (2000) e325-e326

176,760

2020-10-21

18:00:00

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2,011,275

11.668

0.005

12.445

0.005

8.918

0.005

96.697

0.005

106.143

0.005

106.72

0.005

1,163.8

0.9

296

2

296

2

null

6

P -1

-P 1

2

- C19 H25 Ba N3 O5 S2 -

- C38 H50 Ba2 N6 O10 S4 -

2

1

QA0361

Yamamoto, Emi; Kubo, Kanji; Kato, Nobuo; Mori, Akira

Bis[μ-2-(1,4,7,10-tetraoxa-13-azacyclopentadeca-13-yl)cyclohepta-2,4,6-trien-1-one]bis[bis(thiocyanato)barium(II)]

Acta Crystallographica Section C

2,000

56

8

e329

e330

10.1107/S0108270100009653

0.71073

MoKα

0.035

0.026

null

0.07

null

1.147

null

has coordinates,has Fobs

Yamamoto, Emi; Kubo, Kanji; Kato, Nobuo; Mori, Akira Bis[μ-2-(1,4,7,10-tetraoxa-13-azacyclopentadeca-13-yl)cyclohepta-2,4,6-trien-1-one]bis[bis(thiocyanato)barium(II)] Acta Crystallographica Section C 56(8) (2000) e329-e330

176,760

2020-10-21

18:00:00

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2,011,276

10.853

0.001

11.547

0.001

7.821

0.001

96.97

0.01

110.03

0.01

86.84

0.01

913.94

0.18

293

2

293

2

null

5

P -1

-P 1

2

Bis[3-(o-methoxyphenyl)-1-methyltriazene 1-oxide(1-)-O,N^3^,O']zinc(II)

- C16 H20 N6 O4 Zn -

- C32 H40 N12 O8 Zn2 -

2

1

SK1370

Mukherjee, Alok K.; Samanta, Chitra; Mukherjee, Monika; Helliwell, M.

Bis[3-(o-methoxyphenyl)-1-methyltriazene 1-oxidato-O,N^3^,O']zinc(II)

Acta Crystallographica Section C

2,000

56

8

952

954

10.1107/S0108270100008003

1.5418

CuKα

0.048

0.042

null

0.122

null

0.966

null

has coordinates,has Fobs

Mukherjee, Alok K.; Samanta, Chitra; Mukherjee, Monika; Helliwell, M. Bis[3-(o-methoxyphenyl)-1-methyltriazene 1-oxidato-O,N^3^,O']zinc(II) Acta Crystallographica Section C 56(8) (2000) 952-954

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/2/01/12/2011276.cif $ #-------------------------------------------------------------------...

2,011,277

14.5912

0.0019

7.0951

0.0011

15.8414

0.0013

90

null

99.138

0.008

90

null

1,619.2

0.4

293

2

293

2

null

5

C 1 2/c 1

-C 2yc

15

sarcosinium trifluoroacetate

N-methylglycinium trifluoroacetate

- C5 H8 F3 N O4 -

- C40 H64 F24 N8 O32 -

8

1

SK1378

Rodrigues, V. H.; Paixão, J. A.; Costa, M.M.R.R.; Matos Beja, A.

Sarcosinium trifluoroacetate

Acta Crystallographica Section C

2,000

56

8

1053

1055

10.1107/S010827010000809X

0.71073

MoKα

0.071

0.0557

null

0.1792

null

1.038

null

has coordinates,has Fobs

Rodrigues, V. H.; Paixão, J. A.; Costa, M.M.R.R.; Matos Beja, A. Sarcosinium trifluoroacetate Acta Crystallographica Section C 56(8) (2000) 1053-1055

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/2/01/12/2011277.cif $ #-------------------------------------------------------------------...

2,011,278

18.1212

0.0003

18.0363

0.0002

21.8937

0.0001

90

null

98.454

0.001

90

null

7,077.97

0.15

298

2

298

2

null

5

P 1 21/c 1

-P 2ybc

14

Dicyclohexylammonium 4-oxo-4H-pyran-2,6-dicarboxylatotributylstannate

- C31 H53 N O6 Sn -

- C248 H424 N8 O48 Sn8 -

8

2

SK1382

Ng, Seik Weng; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Razak, Ibrahim Abdul; Hook, James M.

Linear chains in polymeric dicyclohexylammonium tributyl(4-oxo-4H-pyran-2,6-dicarboxylato)stannate and methylphenylammonium tributyl(pyridine-2,6-dicarboxylato)stannate containing trigonal bipyramidal tin

Acta Crystallographica Section C

2,000

56

8

966

968

10.1107/S0108270100008106

0.71073

MoKα

0.128

0.0681

null

0.1889

null

1.072

null

has coordinates,has Fobs

Ng, Seik Weng; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Razak, Ibrahim Abdul; Hook, James M. Linear chains in polymeric dicyclohexylammonium tributyl(4-oxo-4H-pyran-2,6-dicarboxylato)stannate and methylphenylammonium tributyl(pyridine-2,6-dicarboxylato)stannate containing trigonal bipyramidal tin Acta Crystallo...

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/2/01/12/2011278.cif $ #-------------------------------------------------------------------...

2,011,279

17.7536

0.0003

9.3746

0.0001

17.8985

0.0002

90

null

102.981

0.001

90

null

2,902.77

0.07

298

2

298

2

null

5

P 1 21/n 1

-P 2yn

14

Methylphenylammonium 2,6-pyridinedicarboxylatotributylstannate

- C26 H40 N2 O4 Sn -

- C104 H160 N8 O16 Sn4 -

4

1

SK1382

Ng, Seik Weng; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Razak, Ibrahim Abdul; Hook, James M.

Linear chains in polymeric dicyclohexylammonium tributyl(4-oxo-4H-pyran-2,6-dicarboxylato)stannate and methylphenylammonium tributyl(pyridine-2,6-dicarboxylato)stannate containing trigonal bipyramidal tin

Acta Crystallographica Section C

2,000

56

8

966

968

10.1107/S0108270100008106

0.71073

MoKα

0.0701

0.0488

null

0.1552

null

1.06

null

has coordinates,has disorder,has Fobs

Ng, Seik Weng; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Razak, Ibrahim Abdul; Hook, James M. Linear chains in polymeric dicyclohexylammonium tributyl(4-oxo-4H-pyran-2,6-dicarboxylato)stannate and methylphenylammonium tributyl(pyridine-2,6-dicarboxylato)stannate containing trigonal bipyramidal tin Acta Crystallo...

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/2/01/12/2011279.cif $ #-------------------------------------------------------------------...

2,011,280

8.571

0.0007

6.4665

0.0003

9.8502

0.0008

90

null

106.783

0.003

90

null

522.69

0.07

291

1

291

1

null

3

P 1 21 1

P 2yb

4

(-)-(1R,2S,2'R,5R)-2-(1-Hydroxyprop-2-yl)-5-methylcyclohexanol

- C10 H20 O2 -

- C20 H40 O4 -

2

1

SK1383

Körner, Ferdinand; Schürmann, Markus; Preut, Hans; Kreiser, Wolfgang

(–)-(1R,2S,2'R,5R)-2-(1-Hydroxyprop-2-yl)-5-methylcyclohexanol. Corrigendum

Acta Crystallographica Section C

2,000

56

8

1056

10.1107/S0108270100005011

0.71069

MoKα

0.063

0.036

null

0.081

null

1.012

null

has coordinates,has Fobs

Körner, Ferdinand; Schürmann, Markus; Preut, Hans; Kreiser, Wolfgang (–)-(1R,2S,2'R,5R)-2-(1-Hydroxyprop-2-yl)-5-methylcyclohexanol. Corrigendum Acta Crystallographica Section C 56(8) (2000) 1056-1056

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/2/01/12/2011280.cif $ #-------------------------------------------------------------------...

2,011,281

10.006

0.004

8.543

0.003

26.09

0.01

90

null

98.52

0.04

90

null

2,205.6

1.5

296.2

null

296.2

null

5

P 1 21/n 1

-P 2yn

14

(E)-2-(2-α-Naphthyl)vinyl-3-p-tosyl benzothiazoline

- C26 H21 N O2 S2 -

- C104 H84 N4 O8 S8 -

4

1

SK1385

Maiti, Susim; Mukherjee, Monika; Nandi, Bidisha; Helliwell, Madeleine; Kundu, Nitya G.

(E)-2-[2-(1-Naphthyl)vinyl]-3-tosyl-2,3-dihydro-1,3-benzothiazole

Acta Crystallographica Section C

2,000

56

8

992

994

10.1107/S0108270100006259

1.5418

CuKα

0.144

0.069

null

0.225

null

1.012

null

has coordinates,has Fobs

Maiti, Susim; Mukherjee, Monika; Nandi, Bidisha; Helliwell, Madeleine; Kundu, Nitya G. (E)-2-[2-(1-Naphthyl)vinyl]-3-tosyl-2,3-dihydro-1,3-benzothiazole Acta Crystallographica Section C 56(8) (2000) 992-994

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/2/01/12/2011281.cif $ #-------------------------------------------------------------------...

2,011,282

16.2515

0.0016

16.2515

0.0016

13.7964

0.0019

90

null

90

null

90

null

3,643.8

0.7

173

1

173

1

null

5

P 41

P 4w

76

(M)-8-[(1S,2R)-2-hydroxy-1-methyl-2-phenylethyl]-8-methyl- 8,9-dihydro-7H-dinaphth[2,1-c:1',2'-e]azepinium bromide acetone (1/3) solvate

- C41 H48 Br N O4 -

- C164 H192 Br4 N4 O16 -

4

1

SK1391

Schneider, Monica; Linden, Anthony; Rippert, Andreas, J.

(M)- and (P)-8-[(1S,2R)-2-hydroxy-1-methyl-2-phenylethyl]-8-methyl-8,9-dihydro-7H-dinaphth[2,1-c:1',2'-e]azepinium bromide solvates

Acta Crystallographica Section C

2,000

56

8

1004

1006

10.1107/S0108270100006739

0.71069

MoKα

0.197

0.065

null

0.169

null

1.004

null

has coordinates,has Fobs

Schneider, Monica; Linden, Anthony; Rippert, Andreas, J. (M)- and (P)-8-[(1S,2R)-2-hydroxy-1-methyl-2-phenylethyl]-8-methyl-8,9-dihydro-7H-dinaphth[2,1-c:1',2'-e]azepinium bromide solvates Acta Crystallographica Section C 56(8) (2000) 1004-1006

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/2/01/12/2011282.cif $ #-------------------------------------------------------------------...

2,011,283

8.234

0.003

12.267

0.002

14.3806

0.0019

90

null

98.015

0.015

90

null

1,438.3

0.6

173

1

173

1

null

6

P 1 21 1

P 2yb

4

(P)-8-[(1S,2R)-2-hydroxy-1-methyl-2-phenylethyl]-8-methyl- 8,9-dihydro-7H-dinaphth[2,1-c:1',2'-e]azepinium bromide dichloromethane (1/1) solvate

- C33 H32 Br Cl2 N O -

- C66 H64 Br2 Cl4 N2 O2 -

2

1

SK1391

Schneider, Monica; Linden, Anthony; Rippert, Andreas, J.

(M)- and (P)-8-[(1S,2R)-2-hydroxy-1-methyl-2-phenylethyl]-8-methyl-8,9-dihydro-7H-dinaphth[2,1-c:1',2'-e]azepinium bromide solvates

Acta Crystallographica Section C

2,000

56

8

1004

1006

10.1107/S0108270100006739

0.71069

MoKα

0.07

0.039

null

0.096

null

1.017

null

has coordinates,has Fobs

Schneider, Monica; Linden, Anthony; Rippert, Andreas, J. (M)- and (P)-8-[(1S,2R)-2-hydroxy-1-methyl-2-phenylethyl]-8-methyl-8,9-dihydro-7H-dinaphth[2,1-c:1',2'-e]azepinium bromide solvates Acta Crystallographica Section C 56(8) (2000) 1004-1006

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/2/01/12/2011283.cif $ #-------------------------------------------------------------------...

2,011,284

12.0927

0.0002

25.2129

0.0005

15.4999

0.0003

90

null

102.392

0.001

90

null

4,615.7

0.15

293

2

293

2

null

6

P 1 21/c 1

-P 2ybc

14

[(Diisopropyldithiocarbamate) Bis(triphenylphosphines) Gold(I)] butane Solvate

- C47 H54 Au N P2 S2 -

- C188 H216 Au4 N4 P8 S8 -

4

1

SK1392

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

(N,N-Diisopropyldithiocarbamato-S,S')bis(triphenylphosphine-P)gold(I) butane solvate

Acta Crystallographica Section C

2,000

56

8

939

940

10.1107/S0108270100007319

0.71073

MoKα

0.128

0.052

null

0.119

null

0.988

null

has coordinates,has Fobs

Jian, Fangfang; Lu, Lude; Wang, Xin; Shanmuga Sundara Raj, S.; Razak, Ibrahim Abdul; Fun, Hoong-Kun (N,N-Diisopropyldithiocarbamato-S,S')bis(triphenylphosphine-P)gold(I) butane solvate Acta Crystallographica Section C 56(8) (2000) 939-940

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/2/01/12/2011284.cif $ #-------------------------------------------------------------------...

2,011,285

18.292

0.007

10.969

0.003

21.363

0.008

90

null

105.093

0.0017

90

null

4,139

2

150

1

150

1

null

8

P 1 21/n 1

-P 2yn

14

trans-Chloro(2-nitrobenzenethiolato-S)bis(triphenylphosphine-P)palladium(II) monoacetone solvate

- C45 H40 Cl N O3 P2 Pd S -

- C180 H160 Cl4 N4 O12 P8 Pd4 S4 -

4

1

SK1393

Aupers, John H.; Ferguson, George; Glidewell, Christopher; Low, John N.; Wardell, James L.

trans-Chloro(2-nitrobenzenethiolato-S)bis(triphenylphosphine-P)palladium(II) monoacetone solvate

Acta Crystallographica Section C

2,000

56

8

945

947

10.1107/S0108270100007320

0.71073

MoKα

0.139

0.053

null

0.147

null

0.943

null

has coordinates,has Fobs

Aupers, John H.; Ferguson, George; Glidewell, Christopher; Low, John N.; Wardell, James L. trans-Chloro(2-nitrobenzenethiolato-S)bis(triphenylphosphine-P)palladium(II) monoacetone solvate Acta Crystallographica Section C 56(8) (2000) 945-947

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/2/01/12/2011285.cif $ #-------------------------------------------------------------------...

2,011,286

10.3499

0.0006

10.3499

0.0006

14.6652

0.0011

90

null

90

null

120

null

1,360.48

0.15

173

1

173

1

null

6

P 63

P 6c

173

tris(1,6-dihydro-9H-purine-6-thione-N^7^,S)iron(II) tetrachloroferrate(III) chloride

- C15 H12 Cl5 Fe2 N12 S3 -

- C30 H24 Cl10 Fe4 N24 S6 -

2

0.333333

SK1395

Schmalle, Helmut W.; Gyr, Ernst; Dubler, Erich

A mixed-valence iron complex of the antitumour drug 6-mercaptopurine: tris(6-mercaptopurine)iron(II) tetrachloroferrate(III) chloride

Acta Crystallographica Section C

2,000

56

8

957

959

10.1107/S0108270100008118

0.71073

MoKα

0.024

0.021

null

0.038

null

1.098

null

has coordinates,has Fobs

Schmalle, Helmut W.; Gyr, Ernst; Dubler, Erich A mixed-valence iron complex of the antitumour drug 6-mercaptopurine: tris(6-mercaptopurine)iron(II) tetrachloroferrate(III) chloride Acta Crystallographica Section C 56(8) (2000) 957-959

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/2/01/12/2011286.cif $ #-------------------------------------------------------------------...

2,011,287

8.488

0.0002

22.7523

0.0002

8.781

0.0002

90

null

114.929

0.001

90

null

1,537.8

0.05

293

2

293

2

null

4

P 1 21/n 1

-P 2yn

14

4,5-Diaza-9-fluorenone Benzoylhydrazone Monohydrate

- C18 H14 N4 O2 -

- C72 H56 N16 O8 -

4

1

SK1396

Lu, Zhong-Lin; Xiao, Wen; Chen, Zhong-Ning; Gong, Xiao-Yang; Shanmuga Sundara Raj, S.; Razak, Ibrahim Abdul; Fun, Hoong-Kun

4,5-Diazafluoren-9-one benzoylhydrazone monohydrate

Acta Crystallographica Section C

2,000

56

8

1017

1018

10.1107/S0108270100007459

0.71073

MoKα

0.1153

0.0614

null

0.1207

null

0.93

null

has coordinates,has Fobs

Lu, Zhong-Lin; Xiao, Wen; Chen, Zhong-Ning; Gong, Xiao-Yang; Shanmuga Sundara Raj, S.; Razak, Ibrahim Abdul; Fun, Hoong-Kun 4,5-Diazafluoren-9-one benzoylhydrazone monohydrate Acta Crystallographica Section C 56(8) (2000) 1017-1018

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/2/01/12/2011287.cif $ #-------------------------------------------------------------------...

2,011,288

7.7198

0.0001

20.4639

0.0003

15.9112

0.0002

90

null

90

null

90

null

2,513.61

0.06

293

2

293

2

null

6

P n m a

-P 2ac 2n

62

Trans-dichloro (1, 5, 9, 13-tetramethyl-1, 5, 9, 13-tetrazacyclohexadecane) Ruthenium(III)triiodide

- C16 H36 Cl2 I3 N4 Ru -

- C64 H144 Cl8 I12 N16 Ru4 -

4

0.5

SK1397

Zeng, Xi-Rui; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Zuo, Jing-Lin; You, Xiao-Zeng

trans-Dichloro(1,5,9,13-tetramethyl-1,5,9,13-tetrazacyclohexadecane-κ^4^N)ruthenium(III) triiodide

Acta Crystallographica Section C

2,000

56

8

941

942

10.1107/S0108270100007460

0.71073

MoKα

0.0525

0.0392

null

0.0867

null

1.159

null

has coordinates,has Fobs

Zeng, Xi-Rui; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Zuo, Jing-Lin; You, Xiao-Zeng trans-Dichloro(1,5,9,13-tetramethyl-1,5,9,13-tetrazacyclohexadecane-κ^4^N)ruthenium(III) triiodide Acta Crystallographica Section C 56(8) (2000) 941-942

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/2/01/12/2011288.cif $ #-------------------------------------------------------------------...

2,011,289

10.418

0.002

8.88

0.006

13.56

0.002

90

null

91.36

0.01

90

null

1,254.1

0.9

293

2

293

2

null

5

P 1 21 1

P 2yb

4

Methyl 2-N-Benzylamino -2,3-dideoxy -4,6-O-(phenyl methylene)- 3-C-phenylsulfonyl a\-D-glucopyranoside

- C27 H29 N O6 S -

- C54 H58 N2 O12 S2 -

2

1

VJ1104

Suresh, Cheravakkattu G.; Ravindran, Bindu; Rao, K. Narasimha; Pathak, Tanmaya

Comparison of the two anomers of methyl 2-(N-benzylamino)-2,3-dideoxy-4,6-O-phenylmethylene-3-C-phenylsulfonyl-D-glucopyranoside

Acta Crystallographica Section C

2,000

56

8

1030

1032

10.1107/S0108270100007344

1.5418

CuKa

0.0347

0.0333

null

0.0927

null

0.0904

null

1.056

null

1.054

null

has coordinates,has Fobs

Suresh, Cheravakkattu G.; Ravindran, Bindu; Rao, K. Narasimha; Pathak, Tanmaya Comparison of the two anomers of methyl 2-(N-benzylamino)-2,3-dideoxy-4,6-O-phenylmethylene-3-C-phenylsulfonyl-D-glucopyranoside Acta Crystallographica Section C 56(8) (2000) 1030-1032

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/2/01/12/2011289.cif $ #-------------------------------------------------------------------...

2,011,290

8.319

0.001

13.197

0.002

5.75

0.002

100.84

0.02

98.61

0.02

89.43

0.01

612.9

0.2

293

2

293

2

null

5

P 1

1

Methyl 2-N-Benzylamino -2,3-dideoxy -4,6-O-(phenyl methylene)- 3-C-phenylsulfonyl b\-D-glucopyranoside

- C27 H29 N O6 S -

1

VJ1104

Suresh, Cheravakkattu G.; Ravindran, Bindu; Rao, K. Narasimha; Pathak, Tanmaya

Comparison of the two anomers of methyl 2-(N-benzylamino)-2,3-dideoxy-4,6-O-phenylmethylene-3-C-phenylsulfonyl-D-glucopyranoside

Acta Crystallographica Section C

2,000

56

8

1030

1032

10.1107/S0108270100007344

1.5418

CuKα

0.0696

0.0694

null

0.2029

null

0.2025

null

1.104

null

1.106

null

has coordinates

Suresh, Cheravakkattu G.; Ravindran, Bindu; Rao, K. Narasimha; Pathak, Tanmaya Comparison of the two anomers of methyl 2-(N-benzylamino)-2,3-dideoxy-4,6-O-phenylmethylene-3-C-phenylsulfonyl-D-glucopyranoside Acta Crystallographica Section C 56(8) (2000) 1030-1032

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/2/01/12/2011290.cif $ #-------------------------------------------------------------------...

2,011,291

6.0315

0.0007

7.249

0.0008

12.8693

0.0019

90

null

91.921

0.009

90

null

562.36

0.12

135

2

135

2

null

4

P 1 21 1

P 2yb

4

4,2'-Anhydro-5-(β-D-arabinofuranosyl)-uracil dihydrate

- C9 H14 N2 O7 -

- C18 H28 N4 O14 -

2

1

AV1044

Bats, Jan W.; Parsch, Uwe; Engels, Joachim W.

Solid-state transformation of 4,2'-anhydro-5-(β-D-arabinofuranosyl)uracil dihydrate to 4,2'-anhydro-5-(β-D-arabinofuranosyl)uracil monohydrate

Acta Crystallographica Section C

2,000

56

9

1129

1131

10.1107/S0108270100007794

0.71073

MoKα

0.026

0.025

null

0.076

null

1.377

null

has coordinates,has Fobs

Bats, Jan W.; Parsch, Uwe; Engels, Joachim W. Solid-state transformation of 4,2'-anhydro-5-(β-D-arabinofuranosyl)uracil dihydrate to 4,2'-anhydro-5-(β-D-arabinofuranosyl)uracil monohydrate Acta Crystallographica Section C 56(9) (2000) 1129-1131

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/2/01/12/2011291.cif $ #-------------------------------------------------------------------...

2,011,292

6.024

0.002

7.218

0.003

12.357

0.004

90

null

101.4

0.04

90

null

526.7

0.3

137

2

137

2

null

4

P 1 21 1

P 2yb

4

4,2'-Anhydro-5-(β-D-arabinofuranosyl)-uracil monohydrate

- C9 H12 N2 O6 -

- C18 H24 N4 O12 -

2

1

AV1044

Bats, Jan W.; Parsch, Uwe; Engels, Joachim W.

Solid-state transformation of 4,2'-anhydro-5-(β-D-arabinofuranosyl)uracil dihydrate to 4,2'-anhydro-5-(β-D-arabinofuranosyl)uracil monohydrate

Acta Crystallographica Section C

2,000

56

9

1129

1131

10.1107/S0108270100007794

0.71073

MoKα

0.082

0.054

null

0.11

null

1.376

null

has coordinates,has Fobs

Bats, Jan W.; Parsch, Uwe; Engels, Joachim W. Solid-state transformation of 4,2'-anhydro-5-(β-D-arabinofuranosyl)uracil dihydrate to 4,2'-anhydro-5-(β-D-arabinofuranosyl)uracil monohydrate Acta Crystallographica Section C 56(9) (2000) 1129-1131

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/2/01/12/2011292.cif $ #-------------------------------------------------------------------...

2,011,293

9.282

null

10.803

null

7.887

null

90

null

111.45

null

90

null

736.08

null

122

2

122

2

null

4

C 1 c 1

C -2yc

9

N-Methyl-DL-Aspartic Acid monohydrate

N-Methyl-DL-Aspartic Acid

- C5 H11 N O5 -

- C20 H44 N4 O20 -

4

1

AV1045

Madsen, Dennis; Pattison, Philip

N-Methyl-DL-aspartic acid monohydrate

Acta Crystallographica Section C

2,000

56

9

1157

1158

10.1107/S0108270100008593

0.7

Synchrotron

0.0297

null

0.074

null

1.312

null

has coordinates

Madsen, Dennis; Pattison, Philip N-Methyl-DL-aspartic acid monohydrate Acta Crystallographica Section C 56(9) (2000) 1157-1158

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/2/01/12/2011293.cif $ #-------------------------------------------------------------------...

2,011,294

13.386

0.003

3.75

0.001

14.35

0.003

90

null

101.88

0.03

90

null

704.9

0.3

293

2

293

2

null

4

P 1 21/n 1

-P 2yn

14

3,5-pyrazoledicarboxylic acid monohydrate

- C5 H6 N2 O5 -

- C20 H24 N8 O20 -

4

1

BK1520

Ching, Nancy; Pan, Long; Huang, Xiaoying; Li, Jing

3,5-Pyrazoledicarboxylic acid monohydrate

Acta Crystallographica Section C

2,000

56

9

1124

1125

10.1107/S0108270100007484

0.71073

MoKα

0.0845

0.0401

null

0.0792

null

1.175

null

has coordinates,has Fobs

Ching, Nancy; Pan, Long; Huang, Xiaoying; Li, Jing 3,5-Pyrazoledicarboxylic acid monohydrate Acta Crystallographica Section C 56(9) (2000) 1124-1125

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/2/01/12/2011294.cif $ #-------------------------------------------------------------------...

2,011,295

10.7364

0.0011

14.0507

0.0013

13.5546

0.0013

90

null

105.104

0.002

90

null

1,974.1

0.3

298

2

null

6

P 1 21/c 1

-P 2ybc

14

[Chloro-(1,5-bis(2-hydroxybenzyl)-1,5-diazacyclooctane) cadmium(II)]

- C20 H25 Cd Cl N2 O2 -

- C80 H100 Cd4 Cl4 N8 O8 -

4

1

BK1538

Du, Miao; Weng, Lin-Hong; Leng, Xue-Bing; Bu, Xian-He; Zhang, Ruo-Hua

Chloro(2-{[5-(2-hydroxybenzyl-O)-1,5-diaza-1-cyclooctyl-N,N']methyl}phenolato-O)cadmium(II)

Acta Crystallographica Section C

2,000

56

9

1090

1091

10.1107/S010827010000901X

0.71073

MoKα

null

0.0333

null

0.0614

null

0.935

null

has coordinates

Du, Miao; Weng, Lin-Hong; Leng, Xue-Bing; Bu, Xian-He; Zhang, Ruo-Hua Chloro(2-{[5-(2-hydroxybenzyl-O)-1,5-diaza-1-cyclooctyl-N,N']methyl}phenolato-O)cadmium(II) Acta Crystallographica Section C 56(9) (2000) 1090-1091

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/2/01/12/2011295.cif $ #-------------------------------------------------------------------...

2,011,296

7.9476

0.0002

11.5546

0.0003

29.4257

0.0008

90

null

90

null

90

null

2,702.2

0.12

150

2

150

2

null

3

P b c a

-P 2ac 2ab

61

4'-Vinyl-2,2':6',2''-terpyridine

- C17 H13 N3 -

- C136 H104 N24 -

8

1

BM1415

Liu, Xiaoming; Kilner, Colin A.; Thornton-Pett, Mark; Halcrow, Malcolm A.

4'-Vinyl-2,2':6',2''-terpyridine

Acta Crystallographica Section C

2,000

56

9

1142

1143

10.1107/S0108270100008295

0.71073

MoKα

0.0747

0.0521

null

0.147

null

1.044

null

has coordinates,has Fobs

Liu, Xiaoming; Kilner, Colin A.; Thornton-Pett, Mark; Halcrow, Malcolm A. 4'-Vinyl-2,2':6',2''-terpyridine Acta Crystallographica Section C 56(9) (2000) 1142-1143

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/2/01/12/2011296.cif $ #-------------------------------------------------------------------...

2,011,297

9.577

0.004

9.972

0.004

7.602

0.004

106.11

0.03

95.12

0.03

78.22

0.03

682.4

0.5

295

2

295

2

null

4

P -1

-P 1

2

1-Methyl-3,5-di(N,N-dimethylaminomethylen)amino-4-nitropyrazol

- C10 H17 N7 O2 -

- C20 H34 N14 O4 -

2

1

BR1291

Chernyshev, Vladimir V.; Tafeenko, Victor A.; Makarov, Vadim A.; Sonneveld, Eduard J.; Schenk, Hendrik

3,5-Bis[(N,N-dimethylamino)methyleneamino]-1-methyl-4-nitropyrazole from X-ray powder diffraction data

Acta Crystallographica Section C

2,000

56

9

1159

1160

10.1107/S010827010000860X

1.54059

CuKα~1~

null

2.67

null

has coordinates

Chernyshev, Vladimir V.; Tafeenko, Victor A.; Makarov, Vadim A.; Sonneveld, Eduard J.; Schenk, Hendrik 3,5-Bis[(N,N-dimethylamino)methyleneamino]-1-methyl-4-nitropyrazole from X-ray powder diffraction data Acta Crystallographica Section C 56(9) (2000) 1159-1160

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/2/01/12/2011297.cif $ #-------------------------------------------------------------------...

2,011,298

4.9084

0.0002

13.6795

0.0007

9.0482

0.0004

90

null

105.414

0.001

90

null

585.68

0.05

299

2

299

2

null

5

P 1 21/m 1

-P 2yb

11

strontium gallium borate hydroxide

- B4 Ga3 H O14 Sr3 -

- B8 Ga6 H2 O28 Sr6 -

2

0.5

BR1297

Barbier, Jacques; Park, Hyunsoo

A new orthoborate, Sr~3~Ga~3~(BO~3~)~4~O(OH)

Acta Crystallographica Section C

2,000

56

9

1057

1058

10.1107/S0108270100009021

0.71073

MoKα

0.0534

0.0348

null

0.0804

null

0.0735

null

1.055

null

1.119

null

has coordinates,has Fobs

Barbier, Jacques; Park, Hyunsoo A new orthoborate, Sr~3~Ga~3~(BO~3~)~4~O(OH) Acta Crystallographica Section C 56(9) (2000) 1057-1058

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/2/01/12/2011298.cif $ #-------------------------------------------------------------------...

2,011,299

10.5757

0.0006

15.0449

0.0008

14.771

0.0008

90

null

92.954

0.001

90

null

2,347.1

0.2

153

2

153

2

null

3

P 1 21/n 1

-P 2yn

14

rubidium titanium polytelluride

- Rb3 Te11 Ti3 -

- Rb12 Te44 Ti12 -

4

1

BR1300

Huang, Fu Qiang; Ibers, James A.

Rb~3~Ti~3~Te~11~

Acta Crystallographica Section C

2,000

56

9

1059

1061

10.1107/S0108270100009367

0.71073

MoKα

0.0359

0.0281

null

0.0658

null

1.037

null

has coordinates,has Fobs

Huang, Fu Qiang; Ibers, James A. Rb~3~Ti~3~Te~11~ Acta Crystallographica Section C 56(9) (2000) 1059-1061

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/2/01/12/2011299.cif $ #-------------------------------------------------------------------...

2,011,300

8.461

0.002

15.653

0.003

14.269

0.003

90

null

91.37

0.03

90

null

1,889.2

0.7

293

2

293

2

null

5

P 1 21/n 1

-P 2yn

14

tri(ethylenediamino)manganous telluride

- C6 H24 Mn N6 Te4 -

- C24 H96 Mn4 N24 Te16 -

4

1

DA1117

Chen, Zhen; Wang, Ru-Ji; Xiao-Ying Huang; Li, Jing

Molecular building blocks for solid-state chalcogenides: solvothermal synthesis of [Mn(en)~3~]Te~4~ and [Fe(en)~3~]~2~(Sb~2~Se~5~)

Acta Crystallographica Section C

2,000

56

9

1100

1103

10.1107/S0108270100006879

0.71073

MoKα

0.0731

0.0411

null

0.0717

null

1.343

null

has coordinates

Chen, Zhen; Wang, Ru-Ji; Xiao-Ying Huang; Li, Jing Molecular building blocks for solid-state chalcogenides: solvothermal synthesis of [Mn(en)~3~]Te~4~ and [Fe(en)~3~]~2~(Sb~2~Se~5~) Acta Crystallographica Section C 56(9) (2000) 1100-1103

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/2/01/13/2011300.cif $ #-------------------------------------------------------------------...

2,011,301

15.774

0.003

11.739

0.002

18.239

0.004

90

null

90

null

90

null

3,377.3

1.1

293

2

293

2

null

6

P b c a

-P 2ac 2ab

61

di[tri(ethylenediamino)ferro] antimony selenide

- C12 H48 Fe2 N12 Sb2 Se5 -

- C48 H192 Fe8 N48 Sb8 Se20 -

4

0.5

DA1117

Chen, Zhen; Wang, Ru-Ji; Xiao-Ying Huang; Li, Jing

Molecular building blocks for solid-state chalcogenides: solvothermal synthesis of [Mn(en)~3~]Te~4~ and [Fe(en)~3~]~2~(Sb~2~Se~5~)

Acta Crystallographica Section C

2,000

56

9

1100

1103

10.1107/S0108270100006879

0.71073

MoKα

0.182

0.0823

null

0.1711

null

1.067

null

has coordinates,has Fobs

Chen, Zhen; Wang, Ru-Ji; Xiao-Ying Huang; Li, Jing Molecular building blocks for solid-state chalcogenides: solvothermal synthesis of [Mn(en)~3~]Te~4~ and [Fe(en)~3~]~2~(Sb~2~Se~5~) Acta Crystallographica Section C 56(9) (2000) 1100-1103

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/2/01/13/2011301.cif $ #-------------------------------------------------------------------...

2,011,302

13.029

0.002

10.819

0.002

21.66

0.003

90

null

99.16

0.01

90

null

3,014.3

0.8

296

2

296

2

null

5

P 1 21/c 1

-P 2ybc

14

N-methyl-4'-methoxy-4-stilbazolium tetraphenylborate

4-[2-(4-methoxyphenyl)ethenyl]-N-methylpyridinum tetraphenylborate

- C39 H36 B N O -

- C156 H144 B4 N4 O4 -

4

1

DA1127

Li, Shu-Jin; Zhang, De-Chun; Huang, Zhong-Lin; Zhang, Yan-Qiu; Yu, Kai-Bei

4-[2-(4-Methoxyphenyl)ethenyl]-N-methylpyridinium tetraphenylborate

Acta Crystallographica Section C

2,000

56

9

1122

1123

10.1107/S0108270100007538

0.71073

MoKα

0.07

0.036

null

0.088

null

0.868

null

has coordinates,has Fobs

Li, Shu-Jin; Zhang, De-Chun; Huang, Zhong-Lin; Zhang, Yan-Qiu; Yu, Kai-Bei 4-[2-(4-Methoxyphenyl)ethenyl]-N-methylpyridinium tetraphenylborate Acta Crystallographica Section C 56(9) (2000) 1122-1123

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/2/01/13/2011302.cif $ #-------------------------------------------------------------------...

2,011,303

9.996

0.001

10.933

0.002

14.385

0.003

78.13

0.02

83.74

0.01

65.59

0.01

1,400.4

0.4

293

2

293

2

null

4

P -1

-P 1

2

Tert-butyloxycarbonyl-alpha-amino isobutyryl - beta-Alanyl - N, (N,N'-dicyclohexyl)-urea.

- C25 H44 N4 O5 -

- C50 H88 N8 O10 -

2

1

DE1142

Banerjee, Rahul; Maji, Samir Kumar; Banerjee, Arindam

tert-Butyl N-{2-[N-(N,N'-dicyclohexylureidocarbonylethyl)carbamoyl]prop-2-yl}carbamate

Acta Crystallographica Section C

2,000

56

9

1120

1121

10.1107/S0108270100007447

1.5418

CuKα

0.0576

0.0461

null

0.139

null

1.06

null

has coordinates,has Fobs

Banerjee, Rahul; Maji, Samir Kumar; Banerjee, Arindam tert-Butyl N-{2-[N-(N,N'-dicyclohexylureidocarbonylethyl)carbamoyl]prop-2-yl}carbamate Acta Crystallographica Section C 56(9) (2000) 1120-1121

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/2/01/13/2011303.cif $ #-------------------------------------------------------------------...

2,011,304

7.571

0.004

9.486

0.006

10.528

0.004

85.72

0.04

71.16

0.04

76.94

0.05

697.1

0.7

293

null

293

null

6

P -1

-P 1

2

3-Methylthio-4-propargylthioquinolinium chloride monohydrate

- C13 H14 Cl N O S2 -

- C26 H28 Cl2 N2 O2 S4 -

2

1

DE1147

Boryczka, Stanisław; Steiner, Thomas

Hydrogen bonding in two salts of 3-methylthio-4-(propargylthio)quinoline

Acta Crystallographica Section C

2,000

56

9

1139

1141

10.1107/S0108270100008271

0.71073

MoKα

0.073

0.051

null

0.146

null

1.018

null

has coordinates,has Fobs

Boryczka, Stanisław; Steiner, Thomas Hydrogen bonding in two salts of 3-methylthio-4-(propargylthio)quinoline Acta Crystallographica Section C 56(9) (2000) 1139-1141

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/2/01/13/2011304.cif $ #-------------------------------------------------------------------...

2,011,305

19.43

0.011

5.338

0.003

36.66

0.03

90

null

111.67

0.05

90

null

3,534

4

293

2

293

null

6

C 1 2/c 1

-C 2yc

15

4-Methylthio-3-propargylthioquinolinium trichloroacetate

- C15 H12 Cl3 N O2 S2 -

- C120 H96 Cl24 N8 O16 S16 -

8

1

DE1147

Boryczka, Stanisław; Steiner, Thomas

Hydrogen bonding in two salts of 3-methylthio-4-(propargylthio)quinoline

Acta Crystallographica Section C

2,000

56

9

1139

1141

10.1107/S0108270100008271

0.71073

MoKα

0.093

0.056

null

0.165

null

1.011

null

has coordinates,has Fobs

Boryczka, Stanisław; Steiner, Thomas Hydrogen bonding in two salts of 3-methylthio-4-(propargylthio)quinoline Acta Crystallographica Section C 56(9) (2000) 1139-1141

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/2/01/13/2011305.cif $ #-------------------------------------------------------------------...

2,011,306

7.462

0.002

16.513

0.005

6.483

0.003

90

null

115.32

0.02

90

null

722.1

0.5

293

2

293

2

null

3

P 1 21/c 1

-P 2ybc

14

phenylglyoxylic acid

α-Oxobenzeneacetic acid

- C8 H6 O3 -

- C32 H24 O12 -

4

1

FG1604

Chen, Chung-Der; Brunskill, Andrew P. J.; Hall, Stan S.; Lalancette, Roger A.; Thompson, Hugh W.

Phenyl- and mesitylglyoxylic acids: catemeric hydrogen bonding in two α-keto acids

Acta Crystallographica Section C

2,000

56

9

1148

1151

10.1107/S010827010000812X

0.71073

MoKα

0.114

0.059

null

0.153

null

1.05

null

has coordinates,has Fobs

Chen, Chung-Der; Brunskill, Andrew P. J.; Hall, Stan S.; Lalancette, Roger A.; Thompson, Hugh W. Phenyl- and mesitylglyoxylic acids: catemeric hydrogen bonding in two α-keto acids Acta Crystallographica Section C 56(9) (2000) 1148-1151

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/2/01/13/2011306.cif $ #-------------------------------------------------------------------...

2,011,307

9.121

0.001

9.121

0.001

10.576

0.001

90

null

90

null

120

null

761.97

0.14

248

2

248

2

null

3

P 31

144

mesitylglyoxylic acid

α-oxo-2,4,6-trimethylbenzeneacetic acid

- C11 H12 O3 -

- C33 H36 O9 -

3

1

FG1604

Chen, Chung-Der; Brunskill, Andrew P. J.; Hall, Stan S.; Lalancette, Roger A.; Thompson, Hugh W.

Phenyl- and mesitylglyoxylic acids: catemeric hydrogen bonding in two α-keto acids

Acta Crystallographica Section C

2,000

56

9

1148

1151

10.1107/S010827010000812X

0.71073

MoKα

0.088

0.049

null

0.127

null

1.02

null

has coordinates,has Fobs

Chen, Chung-Der; Brunskill, Andrew P. J.; Hall, Stan S.; Lalancette, Roger A.; Thompson, Hugh W. Phenyl- and mesitylglyoxylic acids: catemeric hydrogen bonding in two α-keto acids Acta Crystallographica Section C 56(9) (2000) 1148-1151

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/2/01/13/2011307.cif $ #-------------------------------------------------------------------...

2,011,308

16.4393

0.0016

11.2773

0.0012

18.463

0.002

90

null

90.14

0.009

90

null

3,422.9

0.6

150

2

150

2

null

6

P 1 21/c 1

-P 2ybc

14

- C40 H38 Cl Ni O P2 -

- C160 H152 Cl4 Ni4 O4 P8 -

4

1

FG1605

Ellis, Dianne D.; Spek, Anthony L.

Chlorobis(triphenylphosphine)nickel(I) tetrahydrofuran solvate and an unsolvated trigonal phase of chlorotris(triphenylphosphine)nickel(I)

Acta Crystallographica Section C

2,000

56

9

1067

1070

10.1107/S0108270100008350

0.71073

MoKα

0.053

0.0355

null

0.096

null

1.018

null

has coordinates,has Fobs

Ellis, Dianne D.; Spek, Anthony L. Chlorobis(triphenylphosphine)nickel(I) tetrahydrofuran solvate and an unsolvated trigonal phase of chlorotris(triphenylphosphine)nickel(I) Acta Crystallographica Section C 56(9) (2000) 1067-1070

176,760

2020-10-21

18:00:00

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2,011,309

19.0125

0.0008

19.0125

0.0008

10.4507

0.0007

90

null

90

null

120

null

3,271.6

0.3

150

2

150

2

null

5

P 3

143

- C54 H45 Cl Ni P3 -

- C162 H135 Cl3 Ni3 P9 -

3

1

FG1605

Ellis, Dianne D.; Spek, Anthony L.

Chlorobis(triphenylphosphine)nickel(I) tetrahydrofuran solvate and an unsolvated trigonal phase of chlorotris(triphenylphosphine)nickel(I)

Acta Crystallographica Section C

2,000

56

9

1067

1070

10.1107/S0108270100008350

0.71073

MoKα

0.0461

0.0307

null

0.0662

null

1.016

null

has coordinates,has Fobs

Ellis, Dianne D.; Spek, Anthony L. Chlorobis(triphenylphosphine)nickel(I) tetrahydrofuran solvate and an unsolvated trigonal phase of chlorotris(triphenylphosphine)nickel(I) Acta Crystallographica Section C 56(9) (2000) 1067-1070

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/2/01/13/2011309.cif $ #-------------------------------------------------------------------...

2,011,310

8.571

0.0008

9.5382

0.0009

10.3449

0.0009

105.799

0.001

94.1123

0.0011

112.695

0.0013

735.72

0.12

193

2

193

2

null

4

P -1

-P 1

2

- C14 H21 N O5 -

- C28 H42 N2 O10 -

2

1

FR1265

Zhou, Peiwen; Fisher, James D.; Staples, Richard J.; Vij, Ashwani; Natale, Nicholas R.

Ethyl 5-methyl-4-(2,5,5-trimethyl-1,3-dioxan-2-yl)isoxazole-3-carboxylate

Acta Crystallographica Section C

2,000

56

9

1146

1147

10.1107/S0108270100008489

0.71073

MoKα

0.054

0.047

null

0.12

null

1.058

null

has coordinates,has Fobs

Zhou, Peiwen; Fisher, James D.; Staples, Richard J.; Vij, Ashwani; Natale, Nicholas R. Ethyl 5-methyl-4-(2,5,5-trimethyl-1,3-dioxan-2-yl)isoxazole-3-carboxylate Acta Crystallographica Section C 56(9) (2000) 1146-1147

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/2/01/13/2011310.cif $ #-------------------------------------------------------------------...

2,011,311

17.447

0.003

10.467

0.002

21.934

0.004

90

null

102.77

0.01

90

null

3,906.5

1.2

203

2

203

2

null

7

P 1 21/c 1

-P 2ybc

14

Tris[(pentafluorophenyl)trimethylsilylamido](tetrahydrofuran)samarium(III)

- C31 H35 F15 N3 O Si3 Sm -

- C124 H140 F60 N12 O4 Si12 Sm4 -

4

1

FR1269

Click, Damon R.; Scott, Brian L.; Watkin, John G.

Tris[(pentafluorophenyl)trimethylsilylamido](tetrahydrofuran)samarium(III)

Acta Crystallographica Section C

2,000

56

9

1095

1096

10.1107/S0108270100008775

0.71073

MoKα

0.057

0.038

null

0.101

null

1.043

null

has coordinates,has Fobs

Click, Damon R.; Scott, Brian L.; Watkin, John G. Tris[(pentafluorophenyl)trimethylsilylamido](tetrahydrofuran)samarium(III) Acta Crystallographica Section C 56(9) (2000) 1095-1096

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/2/01/13/2011311.cif $ #-------------------------------------------------------------------...

2,011,312

6.652

0.002

10.616

0.004

11.038

0.004

66.18

0.01

88.2

0.01

85.61

0.02

711

0.4

293

2

293

2

null

3

P -1

-P 1

2

(±)-cis-2-(3-Oxo-1,3,4,5,6,7-hexahydroisobenzofuran-1-yl)- cyclohexanecarboxylic acid

- C15 H20 O4 -

- C30 H40 O8 -

2

1

FR1276

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

Two diastereomers of (±)-cis-2-(3-oxo-1,3,4,5,6,7-hexahydroisobenzofuran-1-yl)cyclohexanecarboxylic acid

Acta Crystallographica Section C

2,000

56

9

1152

1154

10.1107/S0108270100008477

0.71073

MoKα

0.059

0.038

null

0.088

null

1.01

null

has coordinates,has disorder,has Fobs

Newman, Jacob M.; Thompson, Hugh W.; Lalancette, Roger A. Two diastereomers of (±)-cis-2-(3-oxo-1,3,4,5,6,7-hexahydroisobenzofuran-1-yl)cyclohexanecarboxylic acid Acta Crystallographica Section C 56(9) (2000) 1152-1154

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/2/01/13/2011312.cif $ #-------------------------------------------------------------------...

2,011,313

11.372

0.007

10.467

0.009

11.901

0.016

90

null

91.11

0.07

90

null

1,416

2

293

2

293

2

null

3

P 1 21/c 1

-P 2ybc

14

(±)-cis-2-(3-Oxo-1,3,4,5,6,7-hexahydroisobenzofuran-1-yl)- cyclohexanecarboxylic acid

- C15 H20 O4 -

- C60 H80 O16 -

4

1

FR1276

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

Two diastereomers of (±)-cis-2-(3-oxo-1,3,4,5,6,7-hexahydroisobenzofuran-1-yl)cyclohexanecarboxylic acid

Acta Crystallographica Section C

2,000

56

9

1152

1154

10.1107/S0108270100008477

0.71073

MoKα

0.131

0.065

null

0.237

null

1.09

null

has coordinates,has Fobs

Newman, Jacob M.; Thompson, Hugh W.; Lalancette, Roger A. Two diastereomers of (±)-cis-2-(3-oxo-1,3,4,5,6,7-hexahydroisobenzofuran-1-yl)cyclohexanecarboxylic acid Acta Crystallographica Section C 56(9) (2000) 1152-1154

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/2/01/13/2011313.cif $ #-------------------------------------------------------------------...

2,011,314

7.242

0.002

16.187

0.005

10.596

0.003

90

null

109.7

0.01

90

null

1,169.4

0.6

173

1

173

1

null

7

P 1 21/n 1

-P 2yn

14

Trans-Dichlorodibenzylaminepalladium(II)

- C18 H30 Cl2 N2 O2 Pd S2 -

- C36 H60 Cl4 N4 O4 Pd2 S4 -

2

0.5

FR1279

Decken, Andreas; Gisia L. Pisegna; Christopher M. Vogels; Stephen A. Westcott

trans-Bis(benzylamine)dichloropalladium(II) bis(dimethyl sulfoxide) solvate

Acta Crystallographica Section C

2,000

56

9

1071

1072

10.1107/S0108270100008428

0.71073

MoKα

0.0355

0.0256

null

0.0641

null

0.0594

null

1.093

null

1.085

null

has coordinates,has Fobs

Decken, Andreas; Gisia L. Pisegna; Christopher M. Vogels; Stephen A. Westcott trans-Bis(benzylamine)dichloropalladium(II) bis(dimethyl sulfoxide) solvate Acta Crystallographica Section C 56(9) (2000) 1071-1072

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/2/01/13/2011314.cif $ #-------------------------------------------------------------------...

2,011,315

9.9888

0.0011

15.5672

0.0009

10.905

0.0009

90

null

107.841

0.007

90

null

1,614.2

0.2

163

2

163

2

null

3

P 1 21/n 1

-P 2yn

14

benzo,cis-cyclohexano-14-crown-4

- C18 H26 O4 -

- C72 H104 O16 -

4

1

FR1290

Bryan, Jeffrey C.; Sachleben, Richard A.

Benzo-cis-cyclohexano-14-crown-4 and its lithium thiocyanate complex

Acta Crystallographica Section C

2,000

56

9

1104

1106

10.1107/S0108270100009033

0.71073

MoKα

0.055

0.037

null

0.1

null

1.03

null

has coordinates,has Fobs

Bryan, Jeffrey C.; Sachleben, Richard A. Benzo-cis-cyclohexano-14-crown-4 and its lithium thiocyanate complex Acta Crystallographica Section C 56(9) (2000) 1104-1106

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/2/01/13/2011315.cif $ #-------------------------------------------------------------------...

2,011,316

9.3885

0.0008

23.96

0.003

17.744

0.002

90

null

102.507

0.008

90

null

3,896.8

0.7

100

2

100

2

null

6

P 1 21/c 1

-P 2ybc

14

benzo,cis-cyclohexano-14-crown-4 lithium thiocyanate

- C19 H26 Li N O4 S -

- C152 H208 Li8 N8 O32 S8 -

8

2

FR1290

Bryan, Jeffrey C.; Sachleben, Richard A.

Benzo-cis-cyclohexano-14-crown-4 and its lithium thiocyanate complex

Acta Crystallographica Section C

2,000

56

9

1104

1106

10.1107/S0108270100009033

0.71073

MoKα

0.093

0.048

null

0.135

null

1.01

null

has coordinates,has Fobs

Bryan, Jeffrey C.; Sachleben, Richard A. Benzo-cis-cyclohexano-14-crown-4 and its lithium thiocyanate complex Acta Crystallographica Section C 56(9) (2000) 1104-1106

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/2/01/13/2011316.cif $ #-------------------------------------------------------------------...

2,011,317

17.76

0.009

32.336

0.011

7.9664

0.0006

90

null

90

null

90

null

4,575

3

293

2

293

2

null

3

P c c n

-P 2ab 2ac

56

9-(n-dodecylaminomethyl)anthracene

- C27 H37 N -

- C216 H296 N8 -

8

1

GD1095

Ramos Silva, M.; Matos Beja, A.; Paixao, J. A.; Alte da Veiga, L.; Sobral, A. J. F. N.; Rebanda, N. G. C. L.; Rocha Gonsalves, A. M. dA.

C—H···π interactions in 9-(n-dodecylaminomethyl)anthracene

Acta Crystallographica Section C

2,000

56

9

1136

1138

10.1107/S0108270100008441

1.54056

CuKα

0.0792

0.0556

null

0.1872

null

1.087

null

has coordinates,has Fobs

Ramos Silva, M.; Matos Beja, A.; Paixao, J. A.; Alte da Veiga, L.; Sobral, A. J. F. N.; Rebanda, N. G. C. L.; Rocha Gonsalves, A. M. dA. C—H···π interactions in 9-(n-dodecylaminomethyl)anthracene Acta Crystallographica Section C 56(9) (2000) 1136-1138

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/2/01/13/2011317.cif $ #-------------------------------------------------------------------...

2,011,318

7.852

0.003

15.962

0.005

11.951

0.004

90

null

105.48

0.03

90

null

1,443.5

0.9

298

null

298

null

5

P 1 21 1

P 2yb

4

(2-Carbamoylethyl)bis(dimethylglyoximato) [(R)-1-(1-naphthyl)ethylamine]cobalt(III)

- C25 H39 Co N6 O6 -

- C50 H78 Co2 N12 O12 -

2

1

GD1103

Ohgo, Yoshiki; Ohashi, Yuji; Hagiwara, Mieko; Shida, Mitsuru; Arai, Yoshifusa; Takeuchi, Seiji; Ohgo, Yoshiaki

(2-Carbamoylethyl)bis(dimethylglyoximato-N,N')[(R)-1-(1-naphthyl)ethylamine]cobalt(III) ethanol solvate and bis(dimethylglyoximato-N,N')[2-(N-methylcarbamoyl)ethyl][methyl (S)-phenylalaninate-N]cobalt(III)

Acta Crystallographica Section C

2,000

56

9

1062

1064

10.1107/S010827010000826X

0.71073

MoKα

0.0619

0.0539

null

0.1238

null

1.12

null

has coordinates,has Fobs

Ohgo, Yoshiki; Ohashi, Yuji; Hagiwara, Mieko; Shida, Mitsuru; Arai, Yoshifusa; Takeuchi, Seiji; Ohgo, Yoshiaki (2-Carbamoylethyl)bis(dimethylglyoximato-N,N')[(R)-1-(1-naphthyl)ethylamine]cobalt(III) ethanol solvate and bis(dimethylglyoximato-N,N')[2-(N-methylcarbamoyl)ethyl][me...

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/2/01/13/2011318.cif $ #-------------------------------------------------------------------...

2,011,319

11.097

0.004

10.914

0.003

11.178

0.004

90

null

91.5

0.03

90

null

1,353.3

0.8

298

null

298

null

5

P 1 21 1

P 2yb

4

Bis(dimethylglyoximato) [2-(methylcarbamoyl)ethyl][methyl (S)-phenylalaninate]cobalt(III)

- C22 H35 Co N6 O7 -

- C44 H70 Co2 N12 O14 -

2

1

GD1103

Ohgo, Yoshiki; Ohashi, Yuji; Hagiwara, Mieko; Shida, Mitsuru; Arai, Yoshifusa; Takeuchi, Seiji; Ohgo, Yoshiaki

(2-Carbamoylethyl)bis(dimethylglyoximato-N,N')[(R)-1-(1-naphthyl)ethylamine]cobalt(III) ethanol solvate and bis(dimethylglyoximato-N,N')[2-(N-methylcarbamoyl)ethyl][methyl (S)-phenylalaninate-N]cobalt(III)

Acta Crystallographica Section C

2,000

56

9

1062

1064

10.1107/S010827010000826X

0.71073

MoKα

0.0542

0.0461

null

0.1359

null

1.073

null

has coordinates,has disorder,has Fobs

Ohgo, Yoshiki; Ohashi, Yuji; Hagiwara, Mieko; Shida, Mitsuru; Arai, Yoshifusa; Takeuchi, Seiji; Ohgo, Yoshiaki (2-Carbamoylethyl)bis(dimethylglyoximato-N,N')[(R)-1-(1-naphthyl)ethylamine]cobalt(III) ethanol solvate and bis(dimethylglyoximato-N,N')[2-(N-methylcarbamoyl)ethyl][me...

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/2/01/13/2011319.cif $ #-------------------------------------------------------------------...

2,011,320

4.9992

0.0008

12.694

0.003

16.442

0.003

90

null

93.54

0.01

90

null

1,041.4

0.4

293

2

293

2

null

5

P 1 21/c 1

-P 2ybc

14

3-(4-chlorophenyl)-2-cyano-2,3-epoxypropanamide

- C10 H7 Cl N2 O2 -

- C40 H28 Cl4 N8 O8 -

4

1

GD1105

Lah, Nina; Leban, Ivan; Majcen-Le Maréchal, Alenka; Le Grel, Philippe; Robert, Albert; Sieler, Joachim; Giester, Gerald

From α-carbamoyl-α-cyanooxiranes to 3-halogenopyruvamides

Acta Crystallographica Section C

2,000

56

9

1164

1167

10.1107/S0108270100008623

0.71073

MoKα

0.0683

0.0478

null

0.1515

null

1.032

null

has coordinates

Lah, Nina; Leban, Ivan; Majcen-Le Maréchal, Alenka; Le Grel, Philippe; Robert, Albert; Sieler, Joachim; Giester, Gerald From α-carbamoyl-α-cyanooxiranes to 3-halogenopyruvamides Acta Crystallographica Section C 56(9) (2000) 1164-1167

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/2/01/13/2011320.cif $ #-------------------------------------------------------------------...

2,011,321

5.934

0.003

33.653

0.006

6.177

0.001

90

null

107.12

0.03

90

null

1,178.9

0.7

293

2

293

2

null

5

P 1 21/a 1

-P 2yab

14

3-bromo-2-cyano-3-(4-methylphenyl)-2-hydroxypropanamide

- C11 H11 Br N2 O2 -

- C44 H44 Br4 N8 O8 -

4

1

GD1105

Lah, Nina; Leban, Ivan; Majcen-Le Maréchal, Alenka; Le Grel, Philippe; Robert, Albert; Sieler, Joachim; Giester, Gerald

From α-carbamoyl-α-cyanooxiranes to 3-halogenopyruvamides

Acta Crystallographica Section C

2,000

56

9

1164

1167

10.1107/S0108270100008623

0.71073

MoKα

0.0831

0.0401

null

0.1081

null

0.971

null

has coordinates

Lah, Nina; Leban, Ivan; Majcen-Le Maréchal, Alenka; Le Grel, Philippe; Robert, Albert; Sieler, Joachim; Giester, Gerald From α-carbamoyl-α-cyanooxiranes to 3-halogenopyruvamides Acta Crystallographica Section C 56(9) (2000) 1164-1167

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/2/01/13/2011321.cif $ #-------------------------------------------------------------------...

2,011,322

22.614

0.005

10.257

0.002

10.099

0.002

90

null

114.32

0.03

90

null

2,134.6

0.9

293

2

293

2

null

5

C 1 2/c 1

-C 2yc

15

3-bromo-3-(4-metylphenyl)-2-oxopropanamide

- C10 H10 Br N O2 -

- C80 H80 Br8 N8 O16 -

8

1

GD1105

Lah, Nina; Leban, Ivan; Majcen-Le Maréchal, Alenka; Le Grel, Philippe; Robert, Albert; Sieler, Joachim; Giester, Gerald

From α-carbamoyl-α-cyanooxiranes to 3-halogenopyruvamides

Acta Crystallographica Section C

2,000

56

9

1164

1167

10.1107/S0108270100008623

0.71073

MoKα

0.0635

0.0387

null

0.1091

null

0.973

null

has coordinates

Lah, Nina; Leban, Ivan; Majcen-Le Maréchal, Alenka; Le Grel, Philippe; Robert, Albert; Sieler, Joachim; Giester, Gerald From α-carbamoyl-α-cyanooxiranes to 3-halogenopyruvamides Acta Crystallographica Section C 56(9) (2000) 1164-1167

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/2/01/13/2011322.cif $ #-------------------------------------------------------------------...

2,011,323

5.526

0.001

29.989

0.006

5.997

0.001

90

null

107.96

0.03

90

null

945.4

0.3

293

2

293

2

null

5

C 1 c 1

C -2yc

9

3-chloro-3-phenyl-2,2-dihydroxypropanamide

- C9 H10 Cl N O3 -

- C36 H40 Cl4 N4 O12 -

4

1

GD1105

Lah, Nina; Leban, Ivan; Majcen-Le Maréchal, Alenka; Le Grel, Philippe; Robert, Albert; Sieler, Joachim; Giester, Gerald

From α-carbamoyl-α-cyanooxiranes to 3-halogenopyruvamides

Acta Crystallographica Section C

2,000

56

9

1164

1167

10.1107/S0108270100008623

0.71073

MoKα

0.0344

0.0278

null

0.0634

null

1.006

null

has coordinates

Lah, Nina; Leban, Ivan; Majcen-Le Maréchal, Alenka; Le Grel, Philippe; Robert, Albert; Sieler, Joachim; Giester, Gerald From α-carbamoyl-α-cyanooxiranes to 3-halogenopyruvamides Acta Crystallographica Section C 56(9) (2000) 1164-1167

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/2/01/13/2011323.cif $ #-------------------------------------------------------------------...

2,011,324

17.382

0.0007

6.7257

0.0003

23.9374

0.0009

90

null

95.368

0.002

90

null

2,786.2

0.2

100

2

100

2

null

4

C 1 2/c 1

-C 2yc

15

1,4-Diazabicyclo[2.2.2]octane–5-hydroxyisophthalic acid (1/1)

- C14 H18 N2 O5 -

- C112 H144 N16 O40 -

8

1

GG1007

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

Threefold interweaving of (4,4) nets built from R{_10^10}(58) rings in the hydrogen-bonded adduct 1,4-diazabicyclo[2.2.2]octane–5-hydroxyisophthalic acid (1/1)

Acta Crystallographica Section C

2,000

56

9

1126

1128

10.1107/S010827010000771X

0.71073

MoKα

0.063

0.046

null

0.121

null

1.095

null

has coordinates,has Fobs

Burchell, Colin J.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher Threefold interweaving of (4,4) nets built from R{_10^10}(58) rings in the hydrogen-bonded adduct 1,4-diazabicyclo[2.2.2]octane–5-hydroxyisophthalic acid (1/1) Acta Crystallographica Section C 56(9) (2000) 1126-1128

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/2/01/13/2011324.cif $ #-------------------------------------------------------------------...

2,011,325

8.2107

0.0003

9.3093

0.0004

26.8707

0.0009

90

null

90

null

90

null

2,053.89

0.13

295

1

295

1

null

5

P 21 21 21

P 2ac 2ab

19

- C21 H30 Cl2 N2 Ru -

- C84 H120 Cl8 N8 Ru4 -

4

1

Aitali, Mustapha; El Firdoussi, Larbi; Karim, Abdellah; Barrero, Alejandro F.; Quirós, Miguel

A ruthenium(II) complex with p-cymene and (S)-2-anilinoethylpyrrolidine

Acta Crystallographica, Section C

2,000

56

1088

1089

10.1107/S0108270100008787

null

has coordinates

Aitali, Mustapha; El Firdoussi, Larbi; Karim, Abdellah; Barrero, Alejandro F.; Quirós, Miguel A ruthenium(II) complex with p-cymene and (S)-2-anilinoethylpyrrolidine Acta Crystallographica, Section C 56 (2000) 1088-1089

130,149

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/13/2011325.cif $ #-------------------------------------------------------------------...

2,011,326

6.6157

0.0011

9.654

0.004

10.748

0.004

101.96

0.03

90.13

0.03

104.29

0.03

649.7

0.4

150

null

150

null

5

P -1

-P 1

2

Bis(μ~2~-chloro)-bis-[1,2,3,3-(4-oxo-6,6-dimethyl-1-ethoxycarbonyl)- hexenyl]-palladium (II)

- C22 H34 Cl2 O6 Pd2 -

1

0.5

GG1012

Spek, Anthony L.; Canisius, Johannes; Preut, Hans; Krause, Norbert

The allyl complex di-μ-chloro-bis{[(1,2,3-η)-4-oxo-5,5-dimethyl-1-(ethoxycarbonyl)hexenyl]palladium(II)}

Acta Crystallographica Section C

2,000

56

9

1065

1066

10.1107/S0108270100008799

0.71073

MoKα

0.0187

0.0179

null

0.0439

null

1.119

null

has coordinates

Spek, Anthony L.; Canisius, Johannes; Preut, Hans; Krause, Norbert The allyl complex di-μ-chloro-bis{[(1,2,3-η)-4-oxo-5,5-dimethyl-1-(ethoxycarbonyl)hexenyl]palladium(II)} Acta Crystallographica Section C 56(9) (2000) 1065-1066

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/2/01/13/2011326.cif $ #-------------------------------------------------------------------...

2,011,327

6.3914

0.0005

9.0264

0.0006

26.9292

0.0019

90

null

90

null

90

null

1,553.58

0.19

150

2

150

2

null

3

P 21 21 21

P 2ac 2ab

19

- C17 H26 O3 -

- C68 H104 O12 -

4

1

GG1013

Ellis, Dianne D.; Spek, Anthony L.

(2R,3R,5R)-2-[(2R,3aS,6aR)-2,3,3a,4,5,6a-Hexahydrofuro[2,3-b]furan-2-yl]-5-isopropenyl-2,3-dimethylcyclohexanone and (4aR,5S,7R)-5-isopropenyl-7,8,8-trimethyl-2,3,4,4a,5,6,7,8-octahydronaphthalene-4a-carbonitrile

Acta Crystallographica Section C

2,000

56

9

1173

1175

10.1107/S0108270100008805

0.71073

MoKα

0.0748

0.048

null

0.1137

null

0.951

null

has coordinates,has Fobs

Ellis, Dianne D.; Spek, Anthony L. (2R,3R,5R)-2-[(2R,3aS,6aR)-2,3,3a,4,5,6a-Hexahydrofuro[2,3-b]furan-2-yl]-5-isopropenyl-2,3-dimethylcyclohexanone and (4aR,5S,7R)-5-isopropenyl-7,8,8-trimethyl-2,3,4,4a,5,6,7,8-octahydronaphthalene-4a-carbonitrile 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/2/01/13/2011327.cif $ #-------------------------------------------------------------------...

2,011,328

8.3419

0.0009

12.3902

0.001

14.4052

0.0014

90

null

90

null

90

null

1,488.9

0.2

150

2

150

2

null

4

P 21 21 21

P 2ac 2ab

19

- C17 H23 N O -

- C68 H92 N4 O4 -

4

1

GG1013

Ellis, Dianne D.; Spek, Anthony L.

(2R,3R,5R)-2-[(2R,3aS,6aR)-2,3,3a,4,5,6a-Hexahydrofuro[2,3-b]furan-2-yl]-5-isopropenyl-2,3-dimethylcyclohexanone and (4aR,5S,7R)-5-isopropenyl-7,8,8-trimethyl-2,3,4,4a,5,6,7,8-octahydronaphthalene-4a-carbonitrile

Acta Crystallographica Section C

2,000

56

9

1173

1175

10.1107/S0108270100008805

0.71073

MoKα

0.0874

0.0503

null

0.1047

null

1.035

null

has coordinates,has Fobs

Ellis, Dianne D.; Spek, Anthony L. (2R,3R,5R)-2-[(2R,3aS,6aR)-2,3,3a,4,5,6a-Hexahydrofuro[2,3-b]furan-2-yl]-5-isopropenyl-2,3-dimethylcyclohexanone and (4aR,5S,7R)-5-isopropenyl-7,8,8-trimethyl-2,3,4,4a,5,6,7,8-octahydronaphthalene-4a-carbonitrile 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/2/01/13/2011328.cif $ #-------------------------------------------------------------------...

2,011,329

7.0044

0.0005

11.182

0.001

6.3971

0.0008

102.978

0.008

104.697

0.004

74.017

0.008

459.42

0.08

296.2

null

296.2

null

5

P -1

-P 1

2

- C5 H9 N2 Na O6 -

- C10 H18 N4 Na2 O12 -

2

1

GS1079

Muthuraman, Meiyappan; Nicoud, Jean-François; Bagieu-Beucher, Muriel

Sodium 5-nitro-2-pyridonate trihydrate

Acta Crystallographica Section C

2,000

56

9

1077

1078

10.1107/S0108270100009045

0.5608

AgKα

0.0514

0.051

null

0.057

null

0.057

null

1.908

null

1.91

null

has coordinates

Muthuraman, Meiyappan; Nicoud, Jean-François; Bagieu-Beucher, Muriel Sodium 5-nitro-2-pyridonate trihydrate Acta Crystallographica Section C 56(9) (2000) 1077-1078

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/2/01/13/2011329.cif $ #-------------------------------------------------------------------...

2,011,330

5.674

0.0014

11.699

0.006

33.534

0.0015

90

null

90

null

90

null

2,226

1.3

293

2

293

2

null

3

P 21 21 21

P 2ac 2ab

19

1,6-Anhydro-2,3-di-O-Benzyl-5C-(Carbethoxy-1(R)-hydroxymethyl)-L-altrofuranose

1,6-Anhydro-2,3-di-O-benzyl-5C-[(R)-ethoxycarbonyl(hydroxy)methyl]-L- altrofuranose

- C24 H28 O8 -

- C96 H112 O32 -

4

1

GS1095

Taillefumier, Claude; Charron, Christophe; Chapleur, Yves; Aubry, Andre

1,6-Anhydro-2,3-di-O-benzyl-5C-[(R)-ethoxycarbonyl(hydroxy)methyl]-β-L-altrofuranose

Acta Crystallographica Section C

2,000

56

9

1168

1169

10.1107/S0108270100008702

1.5418

CuKα

0.064

0.051

null

0.148

null

1.047

null

has coordinates,has Fobs

Taillefumier, Claude; Charron, Christophe; Chapleur, Yves; Aubry, Andre 1,6-Anhydro-2,3-di-O-benzyl-5C-[(R)-ethoxycarbonyl(hydroxy)methyl]-β-L-altrofuranose Acta Crystallographica Section C 56(9) (2000) 1168-1169

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/2/01/13/2011330.cif $ #-------------------------------------------------------------------...

2,011,331

7.8783

0.0002

10.4689

0.0001

16.068

0.0004

90

null

95.147

0.001

90

null

1,319.9

0.05

296

2

296

2

null

6

P 1 21/n 1

-P 2yn

14

- C5 H17 Al N2 O8 P2 -

- C20 H68 Al4 N8 O32 P8 -

4

1

GS1096

Phan Thanh, S.; Marrot, J.; Renaudin, J.; Maisonneuve, V.

[H~3~N(CH~2~)~5~NH~3~].AlP~2~O~8~H, a one-dimensional aluminophosphate

Acta Crystallographica, Section C

2,000

56

9

1073

1074

10.1107/S0108270100008532

null

has coordinates

Phan Thanh, S.; Marrot, J.; Renaudin, J.; Maisonneuve, V. [H~3~N(CH~2~)~5~NH~3~].AlP~2~O~8~H, a one-dimensional aluminophosphate Acta Crystallographica, Section C 56(9) (2000) 1073-1074

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/2/01/13/2011331.cif $ #-------------------------------------------------------------------...

2,011,332

11.623

0.002

13.426

0.003

15.156

0.002

76.44

0.01

71.3

0.01

75.16

0.02

2,135.3

0.7

303

2

303

2

null

7

P -1

-P 1

2

- C43 H33 Br4 Cl2 Fe2 N5 O6 -

- C86 H66 Br8 Cl4 Fe4 N10 O12 -

2

1

GS1097

Elmali, Ayhan; Kavlakoglu, Ebru; Elerman, Yalc̨ın; Svoboda, Ingrid

A complex containing both five- and six-coordinate [bis(5-bromosalicylidene)benzene-1,2-diimine]chloroiron(III)

Acta Crystallographica Section C

2,000

56

9

1097

1099

10.1107/S0108270100008714

0.71093

MoKα

0.037

null

0.121

null

1.014

null

has coordinates,has Fobs

Elmali, Ayhan; Kavlakoglu, Ebru; Elerman, Yalc̨ın; Svoboda, Ingrid A complex containing both five- and six-coordinate [bis(5-bromosalicylidene)benzene-1,2-diimine]chloroiron(III) Acta Crystallographica Section C 56(9) (2000) 1097-1099

199,470

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-08-02 18:13:29 +0300 (Wed, 02 Aug 2017) $ #$Revision: 199470 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/13/2011332.cif $ #-------------------------------------------------------------------...

2,011,333

10.914

0.001

21.758

0.001

32.774

0.001

90

null

90

null

90

null

7,782.7

0.8

293

2

293

2

null

5

F d d d :2

-F 2uv 2vw

70

Bis-(12-Krone-4)-cadmium-bispentaiodid

Bis-(1,3,5,7-Tetraoxacyclododecan)-cadmium-bis-pentaiodid

- C16 H32 Cd I10 O8 -

- C128 H256 Cd8 I80 O64 -

8

0.25

JZ1406

Wieczorrek, Carsten

Isolierte I~10~^2{-^}-Ringe, ein neues Strukturelement in der Polyiodid-Chemie

Acta Crystallographica Section C

2,000

56

9

1082

1084

10.1107/S0108270100008817

0.7107

MoKα

0.034

0.0313

null

0.0643

null

0.063

null

1.086

null

1.104

null

has coordinates,has Fobs

Wieczorrek, Carsten Isolierte I~10~^2{-^}-Ringe, ein neues Strukturelement in der Polyiodid-Chemie Acta Crystallographica Section C 56(9) (2000) 1082-1084

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/2/01/13/2011333.cif $ #-------------------------------------------------------------------...

2,011,334

14.742

0.001

14.742

null

17.791

0.001

90

null

90

null

90

null

3,866.5

0.3

293

2

293

2

null

5

I -4 2 d

I -4 2bw

122

Tris-Ethylendiamin-zinktetraiodid

Tris(1,2-ethandiamin)zinktriiodid-iodid

- C6 H24 I4 N6 Zn -

- C48 H192 I32 N48 Zn8 -

8

0.5

JZ1409

Wieczorrek, Carsten

Tetraiodide von Tris(1,2-ethandiamin)komplexen der Metalle Zink und Nickel

Acta Crystallographica Section C

2,000

56

9

1079

1081

10.1107/S0108270100008829

0.71073

MoKα

0.0218

0.0196

null

0.042

null

1.094

null

has coordinates,has Fobs

Wieczorrek, Carsten Tetraiodide von Tris(1,2-ethandiamin)komplexen der Metalle Zink und Nickel Acta Crystallographica Section C 56(9) (2000) 1079-1081

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/2/01/13/2011334.cif $ #-------------------------------------------------------------------...

2,011,335

14.67

0.001

14.67

null

17.754

0.002

90

null

90

null

90

null

3,820.8

0.5

293

2

293

2

null

5

I -4 2 d

I -4 2bw

122

Tris-Ethylendiamin-nickeltetraiodid

Tris(1,2-diaminoethan)nickeltriiodid-iodid

- C6 H24 I4 N6 Ni -

- C48 H192 I32 N48 Ni8 -

8

0.5

JZ1409

Wieczorrek, Carsten

Tetraiodide von Tris(1,2-ethandiamin)komplexen der Metalle Zink und Nickel

Acta Crystallographica Section C

2,000

56

9

1079

1081

10.1107/S0108270100008829

0.71073

MoKα

0.0452

0.0276

null

0.0516

null

0.905

null

has coordinates,has Fobs

Wieczorrek, Carsten Tetraiodide von Tris(1,2-ethandiamin)komplexen der Metalle Zink und Nickel Acta Crystallographica Section C 56(9) (2000) 1079-1081

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/2/01/13/2011335.cif $ #-------------------------------------------------------------------...

2,011,336

7.49

0.002

13.4

0.003

18.639

0.006

90

null

90

null

90

null

1,870.7

0.9

293

2

293

2

null

5

I b a m

-I 2 2c

72

[Bis-Ethylendiamin-kupfer]bis-triiodid

[Bis-1,2-Diaminoethan-kupfer]bis-triiodid

- C4 H16 Cu I6 N4 -

- C16 H64 Cu4 I24 N16 -

4

0.25

JZ1410

Wieczorrek, Carsten

Bis-Triiodide von 1,2-Ethandiaminkomplexen am Beispiel des Metalls Kupfer

Acta Crystallographica Section C

2,000

56

9

1085

1087

10.1107/S0108270100008830

0.71073

MoKα

0.0487

0.0391

null

0.0906

null

1.11

null

has coordinates,has Fobs

Wieczorrek, Carsten Bis-Triiodide von 1,2-Ethandiaminkomplexen am Beispiel des Metalls Kupfer Acta Crystallographica Section C 56(9) (2000) 1085-1087

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/2/01/13/2011336.cif $ #-------------------------------------------------------------------...

2,011,337

9.684

0.0008

5.2868

0.0008

12.8212

0.0007

90

null

106.47

0.006

90

null

629.48

0.12

293

2

293

2

null

5

P 1 21 1

P 2yb

4

3-Chloro-1-(4-morpholinyl-5-nitroimidazol-1-yl)propan-2-ol

- C10 H15 Cl N4 O4 -

- C20 H30 Cl2 N8 O8 -

2

1

JZ1415

Gzella, Andrzej; Wrzeciono, Urszula; Pöppel, Wolfram

Azole. 44. Über Morpholinonitroimidazolderivate

Acta Crystallographica Section C

2,000

56

9

1161

1163

10.1107/S0108270100008635

1.54178

CuKα

0.026

0.025

null

0.072

null

1.038

null

has coordinates

Gzella, Andrzej; Wrzeciono, Urszula; Pöppel, Wolfram Azole. 44. Über Morpholinonitroimidazolderivate Acta Crystallographica Section C 56(9) (2000) 1161-1163

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/2/01/13/2011337.cif $ #-------------------------------------------------------------------...

2,011,338

6.5036

0.0008

7.8493

0.0009

12.9757

0.0014

91.101

0.009

101.026

0.01

101.94

0.01

634.91

0.13

293

2

293

2

null

5

P -1

-P 1

2

3-Chloro-1-(5-morpholinyl-4-nitroimidazol-1-yl)propan-2-ol

- C10 H15 Cl N4 O4 -

- C20 H30 Cl2 N8 O8 -

2

1

JZ1415

Gzella, Andrzej; Wrzeciono, Urszula; Pöppel, Wolfram

Azole. 44. Über Morpholinonitroimidazolderivate

Acta Crystallographica Section C

2,000

56

9

1161

1163

10.1107/S0108270100008635

1.54178

CuKα

0.048

0.041

null

0.122

null

1.054

null

has coordinates

Gzella, Andrzej; Wrzeciono, Urszula; Pöppel, Wolfram Azole. 44. Über Morpholinonitroimidazolderivate Acta Crystallographica Section C 56(9) (2000) 1161-1163

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/2/01/13/2011338.cif $ #-------------------------------------------------------------------...

2,011,339

11.4056

0.0002

12.2501

0.0001

13.1746

0.0003

90

null

91.497

0.001

90

null

1,840.12

0.05

293

2

293

2

null

4

P 1 21/c 1

-P 2ybc

14

10-(benzoylamino)-3,4,6,7,9,10-hexahydro-1,8-(2H,5H)-acridinedione (I)

- C20 H22 N2 O4 -

- C80 H88 N8 O16 -

4

1

KA1336

Jeyakanthan, J.; Shanmuga Sundara Raj, S.; Velmurugan, D.; Fun, Hoong-Kun; Rajan, T. Joseph; Ramakrishnan, V.T.

Two benzoylaminoacridinedione derivatives

Acta Crystallographica Section C

2,000

56

9

1109

1112

10.1107/S0108270199016455

0.71073

MoKα

0.0842

0.0561

null

0.167

null

1.025

null

has coordinates,has Fobs

Jeyakanthan, J.; Shanmuga Sundara Raj, S.; Velmurugan, D.; Fun, Hoong-Kun; Rajan, T. Joseph; Ramakrishnan, V.T. Two benzoylaminoacridinedione derivatives Acta Crystallographica Section C 56(9) (2000) 1109-1112

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/2/01/13/2011339.cif $ #-------------------------------------------------------------------...

2,011,340

23.2343

0.001

13.8327

0.0006

16.3286

0.0007

90

null

132.14

0.001

90

null

3,891.4

0.3

293

2

293

2

null

4

C 1 2/c 1

-C 2yc

15

10-(4-methylbenzoylamino)-3,4,6,7,9,10-hexahydro-1,8-(2H,5H)-acridinedione(II)

- C21 H24 N2 O4 -

- C168 H192 N16 O32 -

8

1

KA1336

Jeyakanthan, J.; Shanmuga Sundara Raj, S.; Velmurugan, D.; Fun, Hoong-Kun; Rajan, T. Joseph; Ramakrishnan, V.T.

Two benzoylaminoacridinedione derivatives

Acta Crystallographica Section C

2,000

56

9

1109

1112

10.1107/S0108270199016455

0.71073

MoKα

0.0705

0.0553

null

0.1897

null

0.945

null

has coordinates,has Fobs

Jeyakanthan, J.; Shanmuga Sundara Raj, S.; Velmurugan, D.; Fun, Hoong-Kun; Rajan, T. Joseph; Ramakrishnan, V.T. Two benzoylaminoacridinedione derivatives Acta Crystallographica Section C 56(9) (2000) 1109-1112

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/2/01/13/2011340.cif $ #-------------------------------------------------------------------...

2,011,341

11.255

0.015

6.865

0.0013

11.953

0.0012

90

null

104.15

0.02

90

null

895.5

1.2

293

null

293

2

null

5

I 1 2/m 1

-I 2y

12

6,12-Dihydro-2,8-dihydroxy-1,3,7,9-tetramethyl-dipyrido[1,2-a:1',2'-d] pyrazinediylium dichloride dihydrate

- C16 H24 Cl2 N2 O4 -

- C16 H18 Cl2 N2 O4 -

- C32 H36 Cl4 N4 O8 -

2

0.25

NA1479

Košutić-Hulita, Nada; Danilovski, Aleksandar; Malešević, Miroslav; Orešić, Marina; Dumić, Miljenko

2,8-Dihydroxy-1,3,7,9-tetramethyl-6,12-dihydrodipyrido[1,2-a:1',2'-d]pyrazinediylium dichloride dihydrate

Acta Crystallographica Section C

2,000

56

9

1144

1145

10.1107/S0108270100008313

0.71073

MolybdenumKα

0.0594

0.0477

null

0.1685

null

1.113

null

has coordinates,has Fobs

Košutić-Hulita, Nada; Danilovski, Aleksandar; Malešević, Miroslav; Orešić, Marina; Dumić, Miljenko 2,8-Dihydroxy-1,3,7,9-tetramethyl-6,12-dihydrodipyrido[1,2-a:1',2'-d]pyrazinediylium dichloride dihydrate Acta Crystallographica Section C 56(9) (2000) 1144-1145

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/2/01/13/2011341.cif $ #-------------------------------------------------------------------...

2,011,342

11.665

0.002

7.4718

0.0011

16.2794

0.0015

90

null

106.666

0.014

90

null

1,359.3

0.3

293

2

293

2

null

4

P 1 21/c 1

-P 2ybc

14

N-(3-Carboxy-phenyl)-2-hydroxy-1-naphthaldimine

- C18 H13 N O3 -

- C72 H52 N4 O12 -

4

1

OB1032

Pavlović, Gordana; Matijević Sosa, Julija

3-[(2-Oxo-1-naphthylidene)methylamino]benzoic acid

Acta Crystallographica Section C

2,000

56

9

1117

1119

10.1107/S0108270100007290

0.71073

MoKα

0.1332

0.046

null

0.117

null

0.944

null

has coordinates,has Fobs

Pavlović, Gordana; Matijević Sosa, Julija 3-[(2-Oxo-1-naphthylidene)methylamino]benzoic acid Acta Crystallographica Section C 56(9) (2000) 1117-1119

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/2/01/13/2011342.cif $ #-------------------------------------------------------------------...

2,011,343

10.1958

0.0015

9.9753

0.001

13.1655

0.0019

90

null

90.695

0.017

90

null

1,338.9

0.3

293

2

293

2

null

5

P 1 21/n 1

-P 2yn

14

[(H2NC2H4NH2)(H3NC2H4NH3)2][Ge9O18(OH)4]

- C6 H32 Ge9 N6 O22 -

- C12 H64 Ge18 N12 O44 -

2

0.5

OS1114

Sun, Kai; Dadachov, Mike S.; Conradsson, Tony; Zou, Xiaodong

A three-dimensional open-framework germanate containing four-, five- and six-coordinated germanium

Acta Crystallographica Section C

2,000

56

9

1092

1094

10.1107/S0108270100009057

0.71073

MoKα

0.0406

0.0268

null

0.0579

null

0.958

null

has coordinates

Sun, Kai; Dadachov, Mike S.; Conradsson, Tony; Zou, Xiaodong A three-dimensional open-framework germanate containing four-, five- and six-coordinated germanium Acta Crystallographica Section C 56(9) (2000) 1092-1094

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/2/01/13/2011343.cif $ #-------------------------------------------------------------------...

2,011,344

13.594

0.002

14.808

0.003

5.611

0.0015

90.089

0.017

98.13

0.018

83.505

0.014

1,110.8

0.4

293

2

293

2

null

5

P -1

-P 1

2

α-(4-Chlorophenyl)-N-phenylnitrone

N-(p-Chlorobenzylidene)phenylamine N-oxide

- C13 H10 Cl N O -

- C52 H40 Cl4 N4 O4 -

4

2

QA0266

Vijayalakshmi, L.; Parthasarathi, V.; Manishanker, P.

N-(p-Chlorobenzylidene)phenylamine N-oxide

Acta Crystallographica Section C

2,000

56

9

e403

e404

10.1107/S0108270100010544

0.71069

MoKα

0.054

0.036

null

0.115

null

1.02

null

has coordinates,has Fobs

Vijayalakshmi, L.; Parthasarathi, V.; Manishanker, P. N-(p-Chlorobenzylidene)phenylamine N-oxide Acta Crystallographica Section C 56(9) (2000) e403-e404

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/2/01/13/2011344.cif $ #-------------------------------------------------------------------...

2,011,345

7.814

0.005

11.561

0.003

18.58

0.007

90

null

101.96

0.04

90

null

1,642

1.3

293

2

293

2

null

4

P 1 21/c 1

-P 2ybc

14

6-methyl-4(2-napthyl)ethenyl-3-cyano-1-benzopyran-2-one.

- C23 H15 N O2 -

- C92 H60 N4 O8 -

4

1

QA0319

Vijayalakshmi, L.; Parthasarathi, V.; Varu, Bharat; Dodia, Narasinh; Shah, Anamik

3-Cyano-6-methyl-4-(2-naphthylethenyl)-1-benzopyran-2-one

Acta Crystallographica Section C

2,000

56

9

e401

e402

10.1107/S0108270100010532

0.71073

MoKα

0.067

0.042

null

0.144

null

0.831

null

has coordinates,has Fobs

Vijayalakshmi, L.; Parthasarathi, V.; Varu, Bharat; Dodia, Narasinh; Shah, Anamik 3-Cyano-6-methyl-4-(2-naphthylethenyl)-1-benzopyran-2-one Acta Crystallographica Section C 56(9) (2000) e401-e402

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/2/01/13/2011345.cif $ #-------------------------------------------------------------------...

2,011,346

11.372

0.003

8.042

0.002

15.621

0.009

90

null

104.71

0.02

90

null

1,381.8

0.9

293

2

293

2

null

5

C 1 2/c 1

-C 2yc

15

bis(1-methylguanidinium) Tetrachlorocuprate(II)

- C4 H16 Cl4 Cu N6 -

- C16 H64 Cl16 Cu4 N24 -

4

0.5

QA0332

Corzo-Suárez, Raúl; Díaz, Isabel; García-Granda, Santiago; Fernández, Vicente

Bis(1-methylguanidinium) tetrachlorocuprate(II) and 4-(2-pyrimidin-1-io)piperazinium tetrachlorocuprate(II)

Acta Crystallographica Section C

2,000

56

9

e385

e387

10.1107/S0108270100011045

0.71073

MoKα

0.075

0.04

null

0.117

null

1.086

null

has coordinates,has Fobs

Corzo-Suárez, Raúl; Díaz, Isabel; García-Granda, Santiago; Fernández, Vicente Bis(1-methylguanidinium) tetrachlorocuprate(II) and 4-(2-pyrimidin-1-io)piperazinium tetrachlorocuprate(II) Acta Crystallographica Section C 56(9) (2000) e385-e387

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/2/01/13/2011346.cif $ #-------------------------------------------------------------------...

2,011,347

9.205

0.007

16.13

0.03

9.391

0.007

90

null

99.24

0.06

90

null

1,376

3

293

2

293

2

null

5

P 1 21/c 1

-P 2ybc

14

N-(2-pyrimidinyl)-piperazine Tetrachlorocuprate(II)

- C8 H14 Cl4 Cu N4 -

- C32 H56 Cl16 Cu4 N16 -

4

1

QA0332

Corzo-Suárez, Raúl; Díaz, Isabel; García-Granda, Santiago; Fernández, Vicente

Bis(1-methylguanidinium) tetrachlorocuprate(II) and 4-(2-pyrimidin-1-io)piperazinium tetrachlorocuprate(II)

Acta Crystallographica Section C

2,000

56

9

e385

e387

10.1107/S0108270100011045

0.71073

MoKα

0.085

0.051

null

0.135

null

1.038

null

has coordinates,has Fobs

Corzo-Suárez, Raúl; Díaz, Isabel; García-Granda, Santiago; Fernández, Vicente Bis(1-methylguanidinium) tetrachlorocuprate(II) and 4-(2-pyrimidin-1-io)piperazinium tetrachlorocuprate(II) Acta Crystallographica Section C 56(9) (2000) e385-e387

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/2/01/13/2011347.cif $ #-------------------------------------------------------------------...

2,011,348

12.553

0.001

14.4169

0.0009

13.2205

0.0009

90

null

94.377

0.007

90

null

2,385.6

0.3

298

2

298

2

null

6

P 1 21/n 1

-P 2yn

14

catena-(μ~2~-4,4'-bipyridine)(1,10-phenanthroline)(diperchlorato)copper(II) monohydrate

- C22 H18 Cl2 Cu N4 O9 -

- C88 H72 Cl8 Cu4 N16 O36 -

4

1

QA0341

Tong, Ming-Liang; Chen, Xiao-Ming; Ng, Seik Weng

catena-Poly[[[bis(perchlorato-O)(1,10-phenanthroline-N,N')copper(II)]-μ-4,4'-bipyridine-N:N'] monohydrate]

Acta Crystallographica Section C

2,000

56

9

e374

e375

10.1107/S0108270100011057

0.71073

MoKα

0.098

0.061

null

0.173

null

1.028

null

has coordinates,has Fobs

Tong, Ming-Liang; Chen, Xiao-Ming; Ng, Seik Weng catena-Poly[[[bis(perchlorato-O)(1,10-phenanthroline-N,N')copper(II)]-μ-4,4'-bipyridine-N:N'] monohydrate] Acta Crystallographica Section C 56(9) (2000) e374-e375

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/2/01/13/2011348.cif $ #-------------------------------------------------------------------...

2,011,349

20.0177

0.001

15.7193

0.0008

12.9074

0.0007

90

null

103.235

0.001

90

null

3,953.6

0.4

293

2

293

2

null

7

P 1 21/c 1

-P 2ybc

14

[Co(tren)(dmso)Cl](ClO~4~)~2~

chloro tris-(2-aminoethyl)amine (dimethyl sulfoxide-O)- cobalt (III) perchlorate

- C8 H24 Cl3 Co N4 O9 S -

- C64 H192 Cl24 Co8 N32 O72 S8 -

8

2

QA0349

Hu, Xiaopeng; Feng, Xiaolong; Cai, Jiwen; Ji, Liangnian

[Tris(2-aminoethyl)amine-κ^4^N]chloro(dimethyl sulfoxide-O)cobalt(III) diperchlorate

Acta Crystallographica Section C

2,000

56

9

e388

e389

10.1107/S0108270100011069

0.71073

MoKα

0.061

0.044

null

0.13

null

1.036

null

has coordinates,has disorder,has Fobs

Hu, Xiaopeng; Feng, Xiaolong; Cai, Jiwen; Ji, Liangnian [Tris(2-aminoethyl)amine-κ^4^N]chloro(dimethyl sulfoxide-O)cobalt(III) diperchlorate Acta Crystallographica Section C 56(9) (2000) e388-e389

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/2/01/13/2011349.cif $ #-------------------------------------------------------------------...

2,011,350

9.682

0.005

18.654

0.005

8.977

0.005

90

null

90

null

90

null

1,621.3

1.3

296

2

296

2

null

4

P 21 21 21

P 2ac 2ab

19

- C15 H20 O4 S2 -

- C60 H80 O16 S8 -

4

1

QA0358

Kubo, Kanji; Mori, Akira; Kato, Nobuo; Takeshita, Hitoshi

5,8,11-Trioxa-2,14-dithiabicyclo[13.4.1]icosa-1(19),15,17-trien-20-one

Acta Crystallographica Section C

2,000

56

9

e396

e397

10.1107/S0108270100010489

0.71073

MoKα

0.087

0.04

null

0.102

null

1.02

null

has coordinates,has Fobs

Kubo, Kanji; Mori, Akira; Kato, Nobuo; Takeshita, Hitoshi 5,8,11-Trioxa-2,14-dithiabicyclo[13.4.1]icosa-1(19),15,17-trien-20-one Acta Crystallographica Section C 56(9) (2000) e396-e397

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/2/01/13/2011350.cif $ #-------------------------------------------------------------------...

2,011,351

13.0959

0.0012

15.3703

0.0013

8.7107

0.0003

90

null

108.86

0.004

90

null

1,659.2

0.2

123

2

123

2

null

5

P 1 21/c 1

-P 2ybc

14

N-benzylideneaniline(pentacarbonyl)chromium(0)

- C18 H11 Cr N O5 -

- C72 H44 Cr4 N4 O20 -

4

1

QA0362

Nieger, Martin; Liptau, Patrick; Dötz, Karl Heinz

[N-(Benzylidene)aniline-N]pentacarbonylchromium(0)

Acta Crystallographica Section C

2,000

56

9

e390

e391

10.1107/S0108270100011070

0.71073

MoKα

0.054

0.037

null

0.095

null

1.024

null

has coordinates,has Fobs

Nieger, Martin; Liptau, Patrick; Dötz, Karl Heinz [N-(Benzylidene)aniline-N]pentacarbonylchromium(0) Acta Crystallographica Section C 56(9) (2000) e390-e391

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/2/01/13/2011351.cif $ #-------------------------------------------------------------------...

2,011,352

6.004

0.002

7.675

0.004

45.564

0.003

90

null

90

null

90

null

2,099.6

1.3

143

2

143

2

null

4

P 21 21 21

P 2ac 2ab

19

- C21 H25 N O8 -

- C84 H100 N4 O32 -

4

1

QA0363

Gainsford, Graeme J.; Tyler, Peter C.; Furneaux,Richard H.

1,7,8-Tri-O-acetyl-6-O-benzoylcastanospermine

Acta Crystallographica Section C

2,000

56

9

e394

e395

10.1107/S0108270100010477

0.71073

MoKα

0.048

null

0.093

null

1.126

null

has coordinates,has Fobs

Gainsford, Graeme J.; Tyler, Peter C.; Furneaux,Richard H. 1,7,8-Tri-O-acetyl-6-O-benzoylcastanospermine Acta Crystallographica Section C 56(9) (2000) e394-e395

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/2/01/13/2011352.cif $ #-------------------------------------------------------------------...

2,011,353

13.4832

0.0002

19.634

0.0002

20.3112

0.0003

90

null

98.634

0.0008

90

null

5,316.03

0.12

273.2

null

200

null

6

C 1 2/c 1

-C 2yc

15

- C56 H59 F6 O4 P5 Ru -

- C224 H236 F24 O16 P20 Ru4 -

4

0.5

QA0364

Lucas, Nigel T.; Powell, Clem E.; Humphrey, Mark G.

cis,cis,cis-(Acetato-O,O')bis[1,2-bis(diphenylphosphino)ethane-P,P']ruthenium(II) hexafluorophosphate dimethanol solvate

Acta Crystallographica Section C

2,000

56

9

e392

e393

10.1107/S0108270100011082

0.7107

MoKα

0.059

0.035

null

0.046

null

0.039

null

0.939

null

0.949

null

has coordinates,has Fobs

Lucas, Nigel T.; Powell, Clem E.; Humphrey, Mark G. cis,cis,cis-(Acetato-O,O')bis[1,2-bis(diphenylphosphino)ethane-P,P']ruthenium(II) hexafluorophosphate dimethanol solvate Acta Crystallographica Section C 56(9) (2000) e392-e393

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/2/01/13/2011353.cif $ #-------------------------------------------------------------------...

2,011,354

9.7567

0.0003

10.344

0.0003

17.0684

0.0006

90

null

90

null

90

null

1,722.6

0.09

291

1

291

1

null

3

P 21 21 21

P 2ac 2ab

19

- C20 H24 O4 -

- C80 H96 O16 -

4

1

QA0370

Uerdingen, Marc; Schürmann, Markus; Preut, Hans; Krause, Norbert

3,17-Dioxoandrosta-4,6-dien-11-yl acetate

Acta Crystallographica Section C

2,000

56

9

e415

10.1107/S0108270100011094

0.71073

MoKα

0.097

0.035

null

0.078

null

0.933

null

has coordinates,has Fobs

Uerdingen, Marc; Schürmann, Markus; Preut, Hans; Krause, Norbert 3,17-Dioxoandrosta-4,6-dien-11-yl acetate Acta Crystallographica Section C 56(9) (2000) e415-e415

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/2/01/13/2011354.cif $ #-------------------------------------------------------------------...

2,011,355

11.353

0.005

22.134

0.005

5.897

0.007

90

null

90

null

90

null

1,481.8

1.9

296

null

5

P 21 21 21

P 2ac 2ab

19

L-Kynulenine sulfate dihydrate

- C10 H18 N2 O9 S -

- C40 H72 N8 O36 S4 -

4

1

QA0372

Okabe, Nobuo; Eguchi, Yoko; Miura, Junko; Akiko, Shimosaki

L-Kynureninium sulfate dihydrate

Acta Crystallographica Section C

2,000

56

9

e416

e417

10.1107/S0108270100011100

0.71069

MoKα

null

0.0565

null

0.1629

null

1.153

null

has coordinates,has Fobs

Okabe, Nobuo; Eguchi, Yoko; Miura, Junko; Akiko, Shimosaki L-Kynureninium sulfate dihydrate Acta Crystallographica Section C 56(9) (2000) e416-e417

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/2/01/13/2011355.cif $ #-------------------------------------------------------------------...

2,011,356

6.88

0.002

8.201

0.003

9.298

0.002

90

null

105.59

0.01

90

null

505.3

0.3

296.2

null

5

P 1 21/c 1

-P 2ybc

14

- C3 H6 Cl N O -

- C12 H24 Cl4 N4 O4 -

4

1

QA0373

Sakamoto, Jun; Nakagawa, Takashi; Kanehisa, Nobuko; Kai, Yasushi; Katsura, Masahiro

3-Chloropropionamide

Acta Crystallographica Section C

2,000

56

9

e413

10.1107/S0108270100011112

0.7107

MoKα

null

0.0354

null

0.1085

null

0.96

null

has coordinates,has Fobs

Sakamoto, Jun; Nakagawa, Takashi; Kanehisa, Nobuko; Kai, Yasushi; Katsura, Masahiro 3-Chloropropionamide Acta Crystallographica Section C 56(9) (2000) e413-e413

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/2/01/13/2011356.cif $ #-------------------------------------------------------------------...

2,011,357

11.253

0.004

5.74

0.006

17.782

0.006

90

null

98.19

0.03

90

null

1,136.9

1.3

296

null

296

null

3

P 1 21/n 1

-P 2yn

14

sp-9-Acetylfluorene

- C15 H12 O -

- C60 H48 O4 -

4

1

QA0375

Meyers, Cal Y.; Lutfi, Hisham G.; Robinson, Paul D.

sp-9-Acetylfluorene, the initial acetylation product of 9-fluorenyllithium

Acta Crystallographica Section C

2,000

56

9

e418

e419

10.1107/S0108270100011124

0.71069

MoKα

0.134

0.045

null

0.156

null

1.008

null

has coordinates,has Fobs

Meyers, Cal Y.; Lutfi, Hisham G.; Robinson, Paul D. sp-9-Acetylfluorene, the initial acetylation product of 9-fluorenyllithium Acta Crystallographica Section C 56(9) (2000) e418-e419

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/2/01/13/2011357.cif $ #-------------------------------------------------------------------...

2,011,358

7.0911

0.0001

12.2566

0.0002

20.5272

0.0004

90

null

90

null

90

null

1,784.08

0.05

150

2

150

2

null

4

P 21 21 21

P 2ac 2ab

19

N-(6-amino-3-methyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)- N-[β-D-glucopyranosyl]acetamide

- C13 H24 N4 O10 -

- C52 H96 N16 O40 -

4

1

QA0376

Low, John Nicolson; Molina, Sebastián; Nogueras, Manuel; Sánchez, Adolfo; Cobo, Justo

N-(6-Amino-3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-N-(β-D-glucopyranosyl)acetamide

Acta Crystallographica Section C

2,000

56

9

e420

10.1107/S0108270100011148

0.71073

MoKα

0.045

0.039

null

0.1

null

1.057

null

has coordinates,has Fobs

Low, John Nicolson; Molina, Sebastián; Nogueras, Manuel; Sánchez, Adolfo; Cobo, Justo N-(6-Amino-3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-N-(β-D-glucopyranosyl)acetamide Acta Crystallographica Section C 56(9) (2000) e420-e420

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/2/01/13/2011358.cif $ #-------------------------------------------------------------------...

2,011,359

14.409

0.002

16.489

0.003

19.267

0.003

90

null

90

null

90

null

4,577.6

1.3

293

2

293

2

null

5

P 21 21 21

P 2ac 2ab

19

Clarithromycin Hydrochloride 3.5 Hydrate

6-O-Methylerythromycin A Hydrochloride 3.5 Hydrate

- C38 H77 Cl N O16.5 -

- C152 H308 Cl4 N4 O66 -

4

1

QD0001

Parvez, Masood; Arayne, M. Saeed; Sabri, Rizwana; Sultana, Najma; 6-O-Methylerythromycin A Hydrochloride 3.5 Hydrate

Clarithromycin hydrochloride 3.5-hydrate

Acta Crystallographica Section C

2,000

56

9

e398

e399

10.1107/S0108270100010490

1.54178

CuKα

0.109

0.058

null

0.15

null

1.05

null

has coordinates,has Fobs

Parvez, Masood; Arayne, M. Saeed; Sabri, Rizwana; Sultana, Najma; 6-O-Methylerythromycin A Hydrochloride 3.5 Hydrate Clarithromycin hydrochloride 3.5-hydrate Acta Crystallographica Section C 56(9) (2000) e398-e399

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/2/01/13/2011359.cif $ #-------------------------------------------------------------------...

2,011,360

7.721

0.002

8.905

0.005

11.231

0.004

97.57

0.04

105.69

0.03

103.6

0.03

706.7

0.5

293

2

293

2

null

3

P -1

-P 1

2

2-(2,6-dimethoxyphenyl)-4H-1-benzopyran-4-one

- C17 H14 O4 -

- C34 H28 O8 -

2

1

QD0002

Wallet, J.-C.; Molins, Elies; Miravitlles, Carlos

A second triclinic modification of 2',6'-dimethoxyflavone

Acta Crystallographica Section C

2,000

56

9

e414

10.1107/S0108270100011008

0.71073

MoKα

0.203

0.055

null

0.143

null

0.917

null

has coordinates

Wallet, J.-C.; Molins, Elies; Miravitlles, Carlos A second triclinic modification of 2',6'-dimethoxyflavone Acta Crystallographica Section C 56(9) (2000) e414-e414

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/2/01/13/2011360.cif $ #-------------------------------------------------------------------...