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

2,012,960

13.343

0.005

7.832

0.002

8.27

0.002

90

null

90

null

90

null

864.2

0.4

298

2

298

2

null

6

P 21 21 2

P 2 2ab

18

- C5 H5 Ag Cl N3 O3 -

- C20 H20 Ag4 Cl4 N12 O12 -

4

1

TA1379

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

Polymeric (3-amino-2-chloropyridine)nitratosilver(I)

Acta Crystallographica Section C

2,002

58

9

m481

m482

10.1107/S0108270102013872

0.71073

MoKα

0.043

0.034

null

0.079

0.083

null

1.068

null

has coordinates,has Fobs

Tong, Ming-Liang; Chen, Xiao-Ming; Ng, Seik Weng Polymeric (3-amino-2-chloropyridine)nitratosilver(I) Acta Crystallographica Section C 58(9) (2002) m481-m482

176,760

2020-10-21

18:00:00

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2,012,961

14.991

0.001

10.633

0.001

15.064

0.001

90

null

90

null

90

null

2,401.2

0.3

100

null

100

null

5

P b c a

-P 2ac 2ab

61

2,2-Dimorphorino-2-ethylium-1-dithioate

- C10 H16 N2 O2 S2 -

- C80 H128 N16 O16 S16 -

8

1

TA1383

Fujihara, Takashi; Ohba, Takeshi; Nagasawa, Akira; Nakayama, Juzo; Yoza, Kenji

The stable inner salt 2,2-dimorpholino-2-ethylium-1-dithioate

Acta Crystallographica Section C

2,002

58

9

o558

o559

10.1107/S0108270102013756

0.71073

MoKα

0.0596

0.0453

null

0.0972

0.1032

null

1.092

null

has coordinates,has Fobs

Fujihara, Takashi; Ohba, Takeshi; Nagasawa, Akira; Nakayama, Juzo; Yoza, Kenji The stable inner salt 2,2-dimorpholino-2-ethylium-1-dithioate Acta Crystallographica Section C 58(9) (2002) o558-o559

301,798

2025-08-19

6:42:13

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2,012,962

14.006

0.003

12.951

0.003

15.011

0.003

90

null

104.15

0.03

90

null

2,640.3

1

293

2

293

2

null

6

C 1 2/c 1

-C 2yc

15

Tetraaqua-1κ^4^O-bis(ε-caprolactam-1κO)-μ-cyano-1:2κ^2^N:C-pentacyano- 2κ^5^C-iron(III)yttrium(III)

- C18 H30 Fe N8 O6 Y -

- C72 H120 Fe4 N32 O24 Y4 -

4

0.5

TA1385

Zhou, Bei Chuan; Kou, Hui-Zhong; He, Yi; Xiong, Ming; Wang, Ru-Ji; Li, Yadong

Tetraaqua-1κ^4^O-bis(ε-caprolactam-1κO)-μ-cyano-1:2κ^2^N:C-pentacyano-2κ^5^C-iron(III)yttrium(III), a novel cyano-bridged dinuclear complex

Acta Crystallographica Section C

2,002

58

9

m478

m480

10.1107/S0108270102014026

0.71073

MoKα

0.064

0.044

null

0.082

0.087

null

1.059

null

has coordinates,has Fobs

Zhou, Bei Chuan; Kou, Hui-Zhong; He, Yi; Xiong, Ming; Wang, Ru-Ji; Li, Yadong Tetraaqua-1κ^4^O-bis(ε-caprolactam-1κO)-μ-cyano-1:2κ^2^N:C-pentacyano-2κ^5^C-iron(III)yttrium(III), a novel cyano-bridged dinuclear complex Acta Crystallographica Section C 58(9) (2002) m478-m480

176,760

2020-10-21

18:00:00

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2,012,963

5.5355

0.0011

13.56

0.003

9.6048

0.0019

90

null

106.73

0.03

90

null

690.4

0.3

120

2

null

5

P 1 21/n 1

-P 2yn

14

- C3 H12 Be F4 N2 -

- C12 H48 Be4 F16 N8 -

4

1

BM1505

Gerrard, Lee A.; Weller, Mark T.

Propane-1,2-diammonium tetrafluoroberyllate

Acta Crystallographica Section C

2,002

58

10

m504

m505

10.1107/S0108270102015718

0.71073

MoKα

null

0.03

null

0.077

null

1.04

null

has coordinates,has Fobs

Gerrard, Lee A.; Weller, Mark T. Propane-1,2-diammonium tetrafluoroberyllate Acta Crystallographica Section C 58(10) (2002) m504-m505

301,798

2025-08-19

6:42:13

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2,012,964

9.6977

0.0008

9.2191

0.0007

10.3008

0.0008

90

null

92.624

0.007

90

null

919.97

0.13

300

1

300

1

null

5

P 1 21 1

P 2yb

4

(-)-(1'S,4aS,7R,8aR)-4a-ethyl-1-(1'-phenylethyl)octahydroquinolinium-7-ol bromide

- C19 H30 Br N O -

- C38 H60 Br2 N2 O2 -

2

1

BM1506

Vázquez, Edna; Galindo, Alberto; Bernès, Sylvain; Gnecco, Dino

(–)-(1'S,4aS,7R,8aR)-4a-Ethyl-7-hydroxy-1-(1'-phenylethyl)perhydroquinolinium bromide

Acta Crystallographica Section C

2,002

58

10

o591

o592

10.1107/S0108270102014725

0.71073

MoKα

0.044

0.033

null

0.074

0.079

null

1.019

null

has coordinates,has Fobs

Vázquez, Edna; Galindo, Alberto; Bernès, Sylvain; Gnecco, Dino (–)-(1'S,4aS,7R,8aR)-4a-Ethyl-7-hydroxy-1-(1'-phenylethyl)perhydroquinolinium bromide Acta Crystallographica Section C 58(10) (2002) o591-o592

301,798

2025-08-19

6:42:13

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2,012,965

8.7343

0.0004

17.945

0.0009

28.723

0.0017

90

null

90

null

90

null

4,502

0.4

293

2

293

2

null

6

P b c a

-P 2ac 2ab

61

Bis(2,2'-bipyridine-κ^2^N,N')(dicyanamido-κN')copper(II) perchlorate

- C22 H16 Cl Cu N7 O4 -

- C176 H128 Cl8 Cu8 N56 O32 -

8

1

BM1508

Potočňák, Ivan; Burčák, Milan; Massa, Werner; Jäger, Lothar

Low-dimensional compounds containing cyano groups. IV. Bis(2,2'-bipyridine-κ^2^N,N^1^)(dicyanamido-κN')copper(II) perchlorate and μ-dicyanamido-κ^2^N^1^:N^5^-bis[bis(2,2'-bipyridine-κ^2^N,N')copper(II)] triperchlorate ethanol hemisolvate, complexes with unusual dicyanami...

Acta Crystallographica Section C

2,002

58

10

m523

m528

10.1107/S0108270102015731

0.71073

MoKα

0.064

0.036

null

0.084

0.091

null

0.969

null

has coordinates,has Fobs

Potočňák, Ivan; Burčák, Milan; Massa, Werner; Jäger, Lothar Low-dimensional compounds containing cyano groups. IV. Bis(2,2'-bipyridine-κ^2^N,N^1^)(dicyanamido-κN')copper(II) perchlorate and μ-dicyanamido-κ^2^N^1^:N^5^-bis[bis(2,2'-bipyridine-κ^2^N,N')copper(II)] triperch...

301,798

2025-08-19

6:42:13

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2,012,966

10.2999

0.0009

14.3808

0.0012

16.4311

0.0016

74.12

0.01

83.371

0.011

80.046

0.01

2,299.7

0.4

193

2

193

2

null

6

P -1

-P 1

2

μ-dicyanamido-κ^2^N^1^:N^3^-bis[bis(2,2'-bipyridine-κ^2^N,N')copper(II)] tris(perchlorate) ethanol hemisolvate

- C43 H35 Cl3 Cu2 N11 O12.5 -

- C86 H70 Cl6 Cu4 N22 O25 -

2

1

BM1508

Potočňák, Ivan; Burčák, Milan; Massa, Werner; Jäger, Lothar

Low-dimensional compounds containing cyano groups. IV. Bis(2,2'-bipyridine-κ^2^N,N^1^)(dicyanamido-κN')copper(II) perchlorate and μ-dicyanamido-κ^2^N^1^:N^5^-bis[bis(2,2'-bipyridine-κ^2^N,N')copper(II)] triperchlorate ethanol hemisolvate, complexes with unusual dicyanami...

Acta Crystallographica Section C

2,002

58

10

m523

m528

10.1107/S0108270102015731

0.71073

MoKα

0.104

0.046

null

0.099

0.113

null

0.837

null

has coordinates,has Fobs

Potočňák, Ivan; Burčák, Milan; Massa, Werner; Jäger, Lothar Low-dimensional compounds containing cyano groups. IV. Bis(2,2'-bipyridine-κ^2^N,N^1^)(dicyanamido-κN')copper(II) perchlorate and μ-dicyanamido-κ^2^N^1^:N^5^-bis[bis(2,2'-bipyridine-κ^2^N,N')copper(II)] triperch...

301,798

2025-08-19

6:42:13

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2,012,967

9.5817

0.0002

9.5817

0.0002

7.829

0.0002

90

null

90

null

120

null

622.48

0.02

293

null

293

null

4

P 3 2 1

P 3 2"

150

Tetrastrontium dimanganese copper nonaoxide

- Cu0.91 Mn2.09 O9 Sr4 -

- Cu0.90733 Mn2.09267 O9 Sr4 -

- Cu2.72199 Mn6.278 O27 Sr12 -

3

0.5

BR1374

El Abed, Ahmed; Gaudin, Etienne; Darriet, Jacques

Tetrastrontium dimanganese copper nonaoxide, Sr~4~Mn~2~CuO~9~

Acta Crystallographica Section C

2,002

58

10

i138

i140

10.1107/S0108270102015639

0.71073

MoKα

0.049

0.034

null

0.071

0.076

null

1.07

1.04

null

has coordinates

El Abed, Ahmed; Gaudin, Etienne; Darriet, Jacques Tetrastrontium dimanganese copper nonaoxide, Sr~4~Mn~2~CuO~9~ Acta Crystallographica Section C 58(10) (2002) i138-i140

176,760

2020-10-21

18:00:00

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2,012,968

6.8713

0.0004

8.8805

0.0005

4.8976

0.0003

90

null

101.525

0.002

90

null

292.83

0.03

295

null

295

null

4

C 1 2/m 1

-C 2y

12

γ indium gadolinium digermanate

Indium gadolinium digermanium heptaoxide

- Gd0.92 Ge2 In1.08 O7 -

- Gd1.84 Ge4 In2.16 O14 -

2

0.25

BR1375

Juarez-Arellano, Erick-Adrian; Rosales, Ivonne; Bucio, Lauro; Orozco, Eligio

In~1.08~Gd~0.92~Ge~2~O~7~: a new member of the thortveitite family

Acta Crystallographica Section C

2,002

58

10

i135

i137

10.1107/S0108270102013343

1.54056

CuKα~1~

null

1.68

null

has coordinates,has Fobs

Juarez-Arellano, Erick-Adrian; Rosales, Ivonne; Bucio, Lauro; Orozco, Eligio In~1.08~Gd~0.92~Ge~2~O~7~: a new member of the thortveitite family Acta Crystallographica Section C 58(10) (2002) i135-i137

176,760

2020-10-21

18:00:00

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2,012,969

21.054

0.004

9.3083

0.0018

15.551

0.004

90

null

106.15

0.02

90

null

2,927.4

1.1

293

2

293

2

null

5

C 1 2 1

C 2y

5

3β-(1-Allyl-1-pyrrolidinio)-16-(2-pyridylmethylene)androst-5-ene-17β-ol bromide hemihydrate

- C32 H46 Br N2 O1.5 -

- C128 H184 Br4 N8 O6 -

4

1

DE1189

Vasuki, G.; Thamotharan, S.; Parthasarathi, V.; Ramamurthi, K.; Dubey, S.; Jindal, D. P.

3β-(1-Allyl-1-pyrrolidinio)-16-(2-pyridylmethylene)androst-5-en-17β-ol bromide hemihydrate

Acta Crystallographica Section C

2,002

58

10

o598

o599

10.1107/S0108270102013434

0.71073

MoKα

0.062

0.034

null

0.072

0.089

null

1.075

null

has coordinates,has Fobs

Vasuki, G.; Thamotharan, S.; Parthasarathi, V.; Ramamurthi, K.; Dubey, S.; Jindal, D. P. 3β-(1-Allyl-1-pyrrolidinio)-16-(2-pyridylmethylene)androst-5-en-17β-ol bromide hemihydrate Acta Crystallographica Section C 58(10) (2002) o598-o599

301,798

2025-08-19

6:42:13

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2,012,970

8.5768

0.0005

9.8285

0.0009

10.7315

0.0007

96.288

0.006

92.042

0.004

106.338

0.005

860.79

0.11

299

1

299

1

null

3

P -1

-P 1

2

2-Methyl-1,4,5-triphenyl-1H-imidazole

- C22 H18 N2 -

- C44 H36 N4 -

2

1

FG1661

Vázquez García, Rosa A.; Bernès, Sylvain; Gutiérrez Pérez, René; Martínez García, Marcos

2-Methyl-1,4,5-triphenyl-1H-imidazole

Acta Crystallographica Section C

2,002

58

10

o619

o620

10.1107/S0108270102016220

0.71073

MoKα

0.069

0.05

null

0.132

0.145

null

1.044

null

has coordinates,has disorder,has Fobs

Vázquez García, Rosa A.; Bernès, Sylvain; Gutiérrez Pérez, René; Martínez García, Marcos 2-Methyl-1,4,5-triphenyl-1H-imidazole Acta Crystallographica Section C 58(10) (2002) o619-o620

301,798

2025-08-19

6:42:13

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2,012,971

11.212

0.008

5.992

0.005

13.204

0.014

90

null

110.16

0.03

90

null

832.7

1.3

293

2

293

2

null

5

P 1 21/c 1

-P 2ybc

14

o-phenylenediamine phosphite

2-Aminoanilinium phosphite

- C6 H11 N2 O3 P -

- C24 H44 N8 O12 P4 -

4

1

FR1382

Abdallah Khaoulana Idrissi; Mohamed Saadi; Mohamed Rafiq; Elizabeth M. Holt

2-Aminoanilinium phosphite

Acta Crystallographica Section C

2,002

58

10

o604

o605

10.1107/S0108270102015184

0.71073

MoKα

0.0715

0.0585

null

0.1535

0.1668

null

0.907

null

has coordinates,has Fobs

Abdallah Khaoulana Idrissi; Mohamed Saadi; Mohamed Rafiq; Elizabeth M. Holt 2-Aminoanilinium phosphite Acta Crystallographica Section C 58(10) (2002) o604-o605

301,798

2025-08-19

6:42:13

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2,012,972

15.21

0.003

6.0099

0.0011

19.683

0.004

90

null

96.814

0.003

90

null

1,786.5

0.6

203

2

203

2

null

4

P 1 21/n 1

-P 2yn

14

1:1 complex of bis(4-aminophenyl)disulfide and 4-aminothiophenol

Bis(4-aminophenyl)disulfide-4-aminothiophenol (1/1)

- C18 H19 N3 S3 -

- C72 H76 N12 S12 -

4

1

FR1383

Vangala, Venu R.; Desiraju, Gautam R.; Jetti, Ram K. R.; Bläser, Dieter; Boese, Roland

A 1:1 molecular complex of bis(4-aminophenyl) disulfide and 4-aminothiophenol

Acta Crystallographica Section C

2,002

58

10

o635

o636

10.1107/S0108270102012994

0.71073

MoKα

0.0605

0.05

null

0.1178

0.1282

null

1.04

null

has coordinates,has Fobs

Vangala, Venu R.; Desiraju, Gautam R.; Jetti, Ram K. R.; Bläser, Dieter; Boese, Roland A 1:1 molecular complex of bis(4-aminophenyl) disulfide and 4-aminothiophenol Acta Crystallographica Section C 58(10) (2002) o635-o636

301,798

2025-08-19

6:42:13

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2,012,973

8.2525

0.0007

8.2653

0.0006

13.9594

0.0006

94.191

0.006

93.879

0.006

105.293

0.006

912.24

0.11

213

2

213

2

null

4

P -1

-P 1

2

6-acetonyldihydroavicine

1-(5-methyl-5,6-dihydro[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-j] phenanthridin-6-yl)acetone

- C23 H19 N O5 -

- C46 H38 N2 O10 -

2

1

FR1384

Morel, Ademir F.; Gonzaga, Wellington de A.; Burrow, Robert A.; Maichle-Mössmer, Cäcilia; Strähle, Johannes

6-Acetonyldihydroavicine

Acta Crystallographica Section C

2,002

58

10

o606

o607

10.1107/S0108270102015202

1.5418

CuKα

0.0713

0.0444

null

0.1113

0.1249

null

1.042

null

has coordinates,has Fobs

Morel, Ademir F.; Gonzaga, Wellington de A.; Burrow, Robert A.; Maichle-Mössmer, Cäcilia; Strähle, Johannes 6-Acetonyldihydroavicine Acta Crystallographica Section C 58(10) (2002) o606-o607

301,798

2025-08-19

6:42:13

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2,012,974

6.0193

0.0011

8.2285

0.001

12.5811

0.0011

82.545

0.009

86

0.014

89.752

0.013

616.36

0.15

298

2

298

2

null

4

P 1

1

(R)-mandelic acid (S)-alanine hemihydrate

- C11 H16 N O5.5 -

- C22 H32 N2 O11 -

2

FR1385

Hu, Zi-Qiang; Xu, Duan-Jun; Xu, Yuan-Zhi; Wu, Jing-Yun; Chiang, Michael Y.

(R)-Mandelic acid (S)-alanine hemihydrate

Acta Crystallographica Section C

2,002

58

10

o612

o614

10.1107/S0108270102015688

0.71073

MoKα

0.041

0.03

null

0.079

0.084

null

1.036

null

has coordinates,has Fobs

Hu, Zi-Qiang; Xu, Duan-Jun; Xu, Yuan-Zhi; Wu, Jing-Yun; Chiang, Michael Y. (R)-Mandelic acid (S)-alanine hemihydrate Acta Crystallographica Section C 58(10) (2002) o612-o614

301,798

2025-08-19

6:42:13

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2,012,975

16.2812

0.0017

10.001

0.001

12.2564

0.0013

90

null

110.72

0.02

90

null

1,866.6

0.4

100

2

100

2

null

5

P 1 21/c 1

-P 2ybc

14

tmima boric acid

Tris[(1-methylimidazol-2-yl)methyl]amine boric acid

- C15 H24 B N7 O3 -

- C60 H96 B4 N28 O12 -

4

1

FR1390

Mashuta, Mark S.; Cheruzel, Lionel; Buchanan, Robert M.

Tris[(1-methylimidazol-2-yl)methyl]amine–boric acid (1/1)

Acta Crystallographica Section C

2,002

58

10

o629

o631

10.1107/S0108270102016542

0.71073

MoKα

0.054

0.042

null

0.102

0.11

null

1.03

null

has coordinates,has Fobs

Mashuta, Mark S.; Cheruzel, Lionel; Buchanan, Robert M. Tris[(1-methylimidazol-2-yl)methyl]amine–boric acid (1/1) Acta Crystallographica Section C 58(10) (2002) o629-o631

301,798

2025-08-19

6:42:13

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2,012,976

20.006

0.005

11.072

0.003

11.882

0.003

90

null

98.94

0.02

90

null

2,600

1.2

296

null

296

null

5

C 1 2/c 1

-C 2yc

15

4,4'-bipyridinium-1,1'-bis(2-ethylsulfonate)-bis(hydroquinone)

- C26 H28 N2 O10 S2 -

- C104 H112 N8 O40 S8 -

4

0.5

GD1224

Robinson, Paul D.; Smith, Kevin R.; Vermeulen, Lori A.

A zwitterionic viologen disulfonate–hydroquinone charge-transfer crystal: 2,2'-(4,4'-bipyridinium-1,1'-diyl)di(ethanesulfonate)–hydroquinone (1/2)

Acta Crystallographica Section C

2,002

58

10

o632

o634

10.1107/S0108270102016219

0.71069

MoKα

0.066

0.033

null

0.086

0.098

null

1.04

null

has coordinates,has Fobs

Robinson, Paul D.; Smith, Kevin R.; Vermeulen, Lori A. A zwitterionic viologen disulfonate–hydroquinone charge-transfer crystal: 2,2'-(4,4'-bipyridinium-1,1'-diyl)di(ethanesulfonate)–hydroquinone (1/2) Acta Crystallographica Section C 58(10) (2002) o632-o634

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/29/2012976.cif $ #-------------------------------------------------------------------...

2,012,977

6.7584

0.0008

20.145

0.004

11.255

0.002

90

null

90

null

90

null

1,532.3

0.4

289

2

289

2

null

4

C m c 21

C 2c -2

36

1,4-diazoniabicyclo[2.2.2]octane bis(maleate)

- C14 H20 N2 O8 -

- C56 H80 N8 O32 -

4

0.5

GD1226

Cui, Rong Sun; Zhi, Min Jin

The 2:1 complex of maleic acid and 1,4-diazabicyclo[2.2.2]octane: hydrogen-bonded sheets linked by C‒H···O hydrogen bonds

Acta Crystallographica Section C

2,002

58

10

o600

o601

10.1107/S0108270102014956

0.71073

MoKα

0.042

0.033

null

0.074

0.078

null

0.961

null

has coordinates,has Fobs

Cui, Rong Sun; Zhi, Min Jin The 2:1 complex of maleic acid and 1,4-diazabicyclo[2.2.2]octane: hydrogen-bonded sheets linked by C‒H···O hydrogen bonds Acta Crystallographica Section C 58(10) (2002) o600-o601

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/2/01/29/2012977.cif $ #-------------------------------------------------------------------...

2,012,978

12.5588

0.0012

17.807

0.0012

6.9608

0.0006

90

null

90.794

0.011

90

null

1,556.5

0.2

293

2

193

2

null

5

P 1 21/n 1

-P 2yn

14

catena-poly[bis[[μ-cyano-1:2κ^2^C:N-diethylenetriamine- 2κ^3^N-copper(II)silver(I)]-μ-cyano-1:2'κ^2^C:N] dicyanosilver(I) tricyanodisilver(I)]

- C17 H26 Ag5 Cu2 N15 -

- C34 H52 Ag10 Cu4 N30 -

2

0.5

GG1124

Černák, Juraj; Chomič, Jozef; Massa, Werner

Cu~2~(dien)~2~Ag~5~(CN)~9~ containing the one-dimensional polymeric cation [Cu(dien)Ag(CN)~2~]~n~^n^+ and the unusual [Ag~2~(CN)~3~]^{-^} anion (dien is diethylenetriamine)

Acta Crystallographica Section C

2,002

58

10

m490

m493

10.1107/S0108270102013240

0.71073

MoKα

0.058

0.031

null

0.061

0.067

null

0.876

null

has coordinates,has Fobs

Černák, Juraj; Chomič, Jozef; Massa, Werner Cu~2~(dien)~2~Ag~5~(CN)~9~ containing the one-dimensional polymeric cation [Cu(dien)Ag(CN)~2~]~n~^n^+ and the unusual [Ag~2~(CN)~3~]^{-^} anion (dien is diethylenetriamine) Acta Crystallographica Section C 58(10) (2002) m490-m493

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/2/01/29/2012978.cif $ #-------------------------------------------------------------------...

2,012,979

8.872

0.001

9.249

0.001

10.456

0.001

91.71

0.01

114.11

0.01

117.88

0.01

665.8

0.17

293

2

293

2

null

4

P -1

-P 1

2

Bis(μ-acetato-κ^3^O,O':O')bis[bis(acetato-κ^2^O,O')diaquadysprosium(III)] tetrahydrate

- C12 H34 Dy2 O20 -

1

0.5

GG1129

Baggio, Ricardo; Muñoz, Juan Carlos; Perec, Mireille

Bis(μ-acetato-κ^3^O,O':O')bis[bis(acetato-κ^2^O,O')diaquadysprosium(III)] tetrahydrate

Acta Crystallographica Section C

2,002

58

10

m498

m500

10.1107/S010827010201510X

0.71073

MoKα

0.041

null

0.095

null

1.057

null

has coordinates

Baggio, Ricardo; Muñoz, Juan Carlos; Perec, Mireille Bis(μ-acetato-κ^3^O,O':O')bis[bis(acetato-κ^2^O,O')diaquadysprosium(III)] tetrahydrate Acta Crystallographica Section C 58(10) (2002) m498-m500

301,798

2025-08-19

6:42:13

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2,012,980

7.665

0.002

10.533

0.002

9.263

0.002

90

null

98.57

0.02

90

null

739.5

0.3

293

2

293

2

null

4

P 1 21/c 1

-P 2ybc

14

N,N'-dibenzyldithioxamide

- C16 H16 N2 S2 -

- C32 H32 N4 S4 -

2

0.5

GG1132

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

N,N'-Dibenzyldithiooxamide

Acta Crystallographica Section C

2,002

58

10

o608

o609

10.1107/S0108270102016025

0.71073

MoKα

0.0424

0.0337

null

0.0934

0.096

null

1.025

null

has coordinates,has Fobs

Bruno, Giuseppe; Lanza, Santo; Nicoló, Francesco; Tresoldi, Giuseppe; Rosace, Giuseppe N,N'-Dibenzyldithiooxamide Acta Crystallographica Section C 58(10) (2002) o608-o609

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/29/2012980.cif $ #-------------------------------------------------------------------...

2,012,981

7.29

0.004

10.648

0.006

28.353

0.016

93.685

0.01

94.922

0.011

100.811

0.01

2,147

2

110

2

110

2

null

4

P -1

-P 1

2

(E)-(4-hydroxyphenyl)(4-nitrophenyl)diazene

- C12 H9 N3 O3 -

- C96 H72 N24 O24 -

8

4

GG1133

Huang, Xinjiang; Kuhn, Genevieve H.; Nesterov, Vladimir N.; Averkiev, Boris B.; Penn, Benjamin; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.

(E)-(4-Hydroxyphenyl)(4-nitrophenyl)diazene, (E)-(4-methoxyphenyl)(4-nitrophenyl)diazene and (E)-[4-(6-bromohexyloxy)phenyl](4-cyanophenyl)diazene

Acta Crystallographica Section C

2,002

58

10

o624

o628

10.1107/S010827010201627X

0.71073

MoKα

0.103

0.055

null

0.124

0.143

null

0.892

null

has coordinates,has Fobs

Huang, Xinjiang; Kuhn, Genevieve H.; Nesterov, Vladimir N.; Averkiev, Boris B.; Penn, Benjamin; Antipin, Mikhail Yu.; Timofeeva, Tatiana V. (E)-(4-Hydroxyphenyl)(4-nitrophenyl)diazene, (E)-(4-methoxyphenyl)(4-nitrophenyl)diazene and (E)-[4-(6-bromohexyloxy)phenyl](4-cyanophenyl)diazene Acta Crystal...

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/29/2012981.cif $ #-------------------------------------------------------------------...

2,012,982

6.153

0.0012

7.55

0.0015

13.683

0.003

100.8

0.03

102.68

0.03

91.74

0.03

607.5

0.2

298

2

298

2

null

4

P -1

-P 1

2

(E)-(4-methoxyphenyl)(4-nitrophenyl)diazene

- C13 H11 N3 O3 -

- C26 H22 N6 O6 -

2

1

GG1133

Huang, Xinjiang; Kuhn, Genevieve H.; Nesterov, Vladimir N.; Averkiev, Boris B.; Penn, Benjamin; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.

(E)-(4-Hydroxyphenyl)(4-nitrophenyl)diazene, (E)-(4-methoxyphenyl)(4-nitrophenyl)diazene and (E)-[4-(6-bromohexyloxy)phenyl](4-cyanophenyl)diazene

Acta Crystallographica Section C

2,002

58

10

o624

o628

10.1107/S010827010201627X

0.71073

MoKα

0.068

0.046

null

0.128

0.144

null

1.037

null

has coordinates,has Fobs

Huang, Xinjiang; Kuhn, Genevieve H.; Nesterov, Vladimir N.; Averkiev, Boris B.; Penn, Benjamin; Antipin, Mikhail Yu.; Timofeeva, Tatiana V. (E)-(4-Hydroxyphenyl)(4-nitrophenyl)diazene, (E)-(4-methoxyphenyl)(4-nitrophenyl)diazene and (E)-[4-(6-bromohexyloxy)phenyl](4-cyanophenyl)diazene Acta Crystal...

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/29/2012982.cif $ #-------------------------------------------------------------------...

2,012,983

7.4279

0.0018

12.009

0.003

19.552

0.005

86.502

0.005

80.511

0.005

87.604

0.005

1,716.1

0.7

110

2

110

2

null

5

P -1

-P 1

2

(E)-[4-(6-bromohexyloxy)phenyl](4-cyanophenyl)diazene

- C19 H20 Br N3 O -

- C76 H80 Br4 N12 O4 -

4

2

GG1133

Huang, Xinjiang; Kuhn, Genevieve H.; Nesterov, Vladimir N.; Averkiev, Boris B.; Penn, Benjamin; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.

(E)-(4-Hydroxyphenyl)(4-nitrophenyl)diazene, (E)-(4-methoxyphenyl)(4-nitrophenyl)diazene and (E)-[4-(6-bromohexyloxy)phenyl](4-cyanophenyl)diazene

Acta Crystallographica Section C

2,002

58

10

o624

o628

10.1107/S010827010201627X

0.71073

MoKα

0.161

0.047

null

0.077

0.094

null

0.676

null

has coordinates,has Fobs

Huang, Xinjiang; Kuhn, Genevieve H.; Nesterov, Vladimir N.; Averkiev, Boris B.; Penn, Benjamin; Antipin, Mikhail Yu.; Timofeeva, Tatiana V. (E)-(4-Hydroxyphenyl)(4-nitrophenyl)diazene, (E)-(4-methoxyphenyl)(4-nitrophenyl)diazene and (E)-[4-(6-bromohexyloxy)phenyl](4-cyanophenyl)diazene Acta Crystal...

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/29/2012983.cif $ #-------------------------------------------------------------------...

2,012,984

8.678

0.003

10.815

0.003

11.899

0.004

67.566

0.005

89.831

0.005

71.435

0.005

969.5

0.5

173

2

173

2

null

6

P -1

-P 1

2

01023a

poly[[[bis(2-methoxyethyl) ether]lithium(I)]-di-μ~3~-trifluoromethanesulfonato-lithium(I)]

- C8 H14 F6 Li2 O9 S2 -

- C16 H28 F12 Li4 O18 S4 -

2

1

GG1134

Henderson, Wesley A.; Young, Victor G. Jr; Brooks, Neil R.; Smyrl, William H.

Li^+^ cation coordination in [Li~2~(CF~3~SO~3~)~2~(diglyme)] and [Li~3~(C~2~F~3~O~2~)~3~(diglyme)]

Acta Crystallographica Section C

2,002

58

10

m501

m503

10.1107/S0108270102015135

0.71073

MoKα

0.054

0.041

null

0.107

0.116

null

1.02

null

has coordinates,has Fobs

Henderson, Wesley A.; Young, Victor G. Jr; Brooks, Neil R.; Smyrl, William H. Li^+^ cation coordination in [Li~2~(CF~3~SO~3~)~2~(diglyme)] and [Li~3~(C~2~F~3~O~2~)~3~(diglyme)] Acta Crystallographica Section C 58(10) (2002) m501-m503

176,432

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176432 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/29/2012984.cif $ #-------------------------------------------------------------------...

2,012,985

9.545

0.004

13.871

0.006

15.589

0.007

90

null

92.974

0.008

90

null

2,061.2

1.5

173

2

173

2

null

5

P 1 21/c 1

-P 2ybc

14

poly[[[bis(2-methoxyethyl) ether]lithium(I)]-di- μ-~3~-trifluoroacetato-dilithium(I)-μ~3~-trifluoroacatato]

- C12 H14 F9 Li3 O9 -

- C12 H14 F8.99997 Li3 O9 -

- C48 H56 F35.9999 Li12 O36 -

4

1

GG1134

Henderson, Wesley A.; Young, Victor G. Jr; Brooks, Neil R.; Smyrl, William H.

Li^+^ cation coordination in [Li~2~(CF~3~SO~3~)~2~(diglyme)] and [Li~3~(C~2~F~3~O~2~)~3~(diglyme)]

Acta Crystallographica Section C

2,002

58

10

m501

m503

10.1107/S0108270102015135

0.71073

MoKα

0.035

0.026

null

0.063

0.067

null

1.028

null

has coordinates,has disorder,has Fobs

Henderson, Wesley A.; Young, Victor G. Jr; Brooks, Neil R.; Smyrl, William H. Li^+^ cation coordination in [Li~2~(CF~3~SO~3~)~2~(diglyme)] and [Li~3~(C~2~F~3~O~2~)~3~(diglyme)] Acta Crystallographica Section C 58(10) (2002) m501-m503

176,432

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176432 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/29/2012985.cif $ #-------------------------------------------------------------------...

2,012,986

14.447

0.005

11.579

0.005

24.981

0.005

90

null

95.195

0.005

90

null

4,162

2

293

2

293

2

null

5

P 1 21/n 1

-P 2yn

14

N-tert-Butyl-N'-[(2-cyclohexylamino-5-nitrobenzene)sulfonyl]urea

- C17 H26 N4 O5 S -

- C136 H208 N32 O40 S8 -

8

2

GG1135

Michaux, Catherine; Dogné, Jean-Michel; Norberg, Bernadette; Durant, François; Masereel, Bernard

N-tert-Butyl-N'-(2-cyclohexylamino-5-nitrobenzenesulfonyl)urea, BM531, a dual-acting agent for thromboxane receptor antagonism and thromboxane synthase inhibition

Acta Crystallographica Section C

2,002

58

10

o621

o623

10.1107/S0108270102016463

1.54178

CuKα

0.079

0.047

null

0.12

0.136

null

1.039

null

has coordinates,has Fobs

Michaux, Catherine; Dogné, Jean-Michel; Norberg, Bernadette; Durant, François; Masereel, Bernard N-tert-Butyl-N'-(2-cyclohexylamino-5-nitrobenzenesulfonyl)urea, BM531, a dual-acting agent for thromboxane receptor antagonism and thromboxane synthase inhibition Acta Crystallographica Section C 58(10)...

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/29/2012986.cif $ #-------------------------------------------------------------------...

2,012,987

10.836

0.002

12.606

0.002

8.331

0.001

93.19

0.02

99.83

0.02

109.65

0.02

1,048.1

0.3

293

2

293

2

null

5

P -1

-P 1

2

bis(nickel hexahydrate) bis(sodium trihydrate) decavanadate tetrahydrate

- H44 Na2 Ni2 O50 V10 -

- Na2 Ni2 O50 V10 -

1

0.5

IZ1023

Higami, Tomoyuki; Hashimoto, Masato; Okeya, Seichi

[Ni(H~2~O)~6~]~2~[Na(H~2~O)~3~]~2~[V~10~O~28~]·4H~2~O, bis(nickel hexahydrate) bis(sodium trihydrate) decavanadate tetrahydrate

Acta Crystallographica Section C

2,002

58

10

i144

i146

10.1107/S0108270102015603

0.71069

MoKα

0.146

0.058

null

0.128

0.152

null

1.067

null

has coordinates,has Fobs

Higami, Tomoyuki; Hashimoto, Masato; Okeya, Seichi [Ni(H~2~O)~6~]~2~[Na(H~2~O)~3~]~2~[V~10~O~28~]·4H~2~O, bis(nickel hexahydrate) bis(sodium trihydrate) decavanadate tetrahydrate Acta Crystallographica Section C 58(10) (2002) i144-i146

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/2/01/29/2012987.cif $ #-------------------------------------------------------------------...

2,012,988

8.7065

0.001

9.53

0.001

10.3274

0.001

73.35

0.018

86.9

0.02

80.5

0.02

809.69

0.17

293

2

293

2

null

5

P -1

-P 1

2

Diammonium aqua-μ-carbonato-tri-μ-oxalatodineodymium(III) hydrate

- C7 H12 N2 Nd2 O17 -

- C14 H24 N4 Nd4 O34 -

2

1

JZ1509

Trombe, Jean-Christian; Galy, Jean; Enjalbert, Renée

A neodymium(III)‒ammonium complex involving oxalate and carbonate ligands: (NH~4~)~2~[Nd~2~(C~2~O~4~)~3~(CO~3~)(H~2~O)]·H~2~O

Acta Crystallographica Section C

2,002

58

10

m517

m520

10.1107/S0108270102014737

0.7107

MoKα

0.033

0.024

null

0.082

null

0.058

null

1.151

null

0.881

null

has coordinates,has Fobs

Trombe, Jean-Christian; Galy, Jean; Enjalbert, Renée A neodymium(III)‒ammonium complex involving oxalate and carbonate ligands: (NH~4~)~2~[Nd~2~(C~2~O~4~)~3~(CO~3~)(H~2~O)]·H~2~O Acta Crystallographica Section C 58(10) (2002) m517-m520

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/2/01/29/2012988.cif $ #-------------------------------------------------------------------...

2,012,989

7.945

0.003

9.262

0.003

11.701

0.003

85.13

0.02

89.34

0.03

80.35

0.03

845.8

0.5

293

2

293

3

null

6

P -1

-P 1

2

Aquanitrato(3-hydroxy-5-hydroxymethyl-2-methylpyridine-4-carboxaldehyde 3-methylisothiosemicarbazone-κ^3^O,N^1^,N^4^)copper(II) nitrate

- C10 H16 Cu N6 O9 S -

- C20 H32 Cu2 N12 O18 S2 -

2

1

JZ1514

Leovac, Vukadin M.; Jevtović, Violeta S.; Bogdanović, Goran A.

Transition metal complexes with thiosemicarbazide-based ligands. XLIV. Aqua(3-hydroxy-5-hydroxymethyl-2-methylpyridine-4-carboxaldehyde 3-methylisothiosemicarbazone-κ^3^O,N^1^,N^4^)nitratocopper(II) nitrate

Acta Crystallographica Section C

2,002

58

10

m514

m516

10.1107/S010827010201586X

0.71073

MoKα

0.045

0.034

null

0.09

0.095

null

1.047

null

has coordinates,has Fobs

Leovac, Vukadin M.; Jevtović, Violeta S.; Bogdanović, Goran A. Transition metal complexes with thiosemicarbazide-based ligands. XLIV. Aqua(3-hydroxy-5-hydroxymethyl-2-methylpyridine-4-carboxaldehyde 3-methylisothiosemicarbazone-κ^3^O,N^1^,N^4^)nitratocopper(II) nitrate Acta Crystallographica Sectio...

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/29/2012989.cif $ #-------------------------------------------------------------------...

2,012,990

8.7476

0.0004

15.3691

0.0006

11.0972

0.0004

90

null

97.759

0.001

90

null

1,478.28

0.1

298

2

298

2

null

5

P 1 21/n 1

-P 2yn

14

diaqua-μ~2~-2,2'-bipyrimidinyl-κ^4^N^1^,N^1'^:N^3^,N^3'^)-di- μ~3~-hydroxy-bis(μ~5~-benzene-1,3,5-tricarboxylato- κ^5^O^1^:O^2^:O^3^:O^3^:O^5^)tetracobalt(II) dihydrate

- C26 H22 Co4 N4 O18 -

- C52 H44 Co8 N8 O36 -

2

0.5

JZ1519

Plater, M. John; Foreman, Mark R. St J.; Howie, R. Alan

Polymeric diaqua(μ~2~-2,2'-bipyrimidinyl-κ^4^N^1^,N^1'^:N^3^,N^3'^)-di-μ~3~-hydroxy-bis(μ~5~-benzene-1,3,5-tricarboxylato-κ^5^O^1^:O^2^:O^3^:O^3^:O^5^)tetracobalt(II) dihydrate

Acta Crystallographica Section C

2,002

58

10

m487

m489

10.1107/S0108270102014804

0.71073

MoKα

0.028

0.024

null

0.065

0.067

null

1.035

null

has coordinates,has Fobs

Plater, M. John; Foreman, Mark R. St J.; Howie, R. Alan Polymeric diaqua(μ~2~-2,2'-bipyrimidinyl-κ^4^N^1^,N^1'^:N^3^,N^3'^)-di-μ~3~-hydroxy-bis(μ~5~-benzene-1,3,5-tricarboxylato-κ^5^O^1^:O^2^:O^3^:O^3^:O^5^)tetracobalt(II) dihydrate Acta Crystallographica S...

211,332

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2018-10-05 15:19:55 +0300 (Fri, 05 Oct 2018) $ #$Revision: 211332 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/29/2012990.cif $ #-------------------------------------------------------------------...

2,012,991

9.254

0.0002

11.4154

0.0004

11.8476

0.0004

89.198

0.001

116.162

0.001

107.108

0.001

1,063.82

0.06

100

2

100

null

3

P -1

-P 1

2

9-methylfluoren-9-ol

- C14 H12 O -

- C56 H48 O4 -

4

2

JZ1524

Morris, David G.; Muir, Kenneth W.; Ryder, Karl S.

The low-temperature phase transition of 9-methylfluoren-9-ol: comparison of the crystal structures at 100 and 200K

Acta Crystallographica Section C

2,002

58

10

o615

o618

10.1107/S0108270102015822

0.71073

MoKα

null

0.049

null

0.127

null

1.026

null

has coordinates

Morris, David G.; Muir, Kenneth W.; Ryder, Karl S. The low-temperature phase transition of 9-methylfluoren-9-ol: comparison of the crystal structures at 100 and 200K Acta Crystallographica Section C 58(10) (2002) o615-o618

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/29/2012991.cif $ #-------------------------------------------------------------------...

2,012,992

8.738

0.0002

11.4571

0.0003

11.7097

0.0004

90.952

0.002

103.462

0.001

106.225

0.001

1,090.47

0.05

200

2

100

null

3

P -1

-P 1

2

9-methylfluoren-9-ol

- C14 H12 O -

- C56 H48 O4 -

4

2

JZ1524

Morris, David G.; Muir, Kenneth W.; Ryder, Karl S.

The low-temperature phase transition of 9-methylfluoren-9-ol: comparison of the crystal structures at 100 and 200K

Acta Crystallographica Section C

2,002

58

10

o615

o618

10.1107/S0108270102015822

0.71073

MoKα

null

0.058

null

0.156

null

1.046

null

has coordinates

Morris, David G.; Muir, Kenneth W.; Ryder, Karl S. The low-temperature phase transition of 9-methylfluoren-9-ol: comparison of the crystal structures at 100 and 200K Acta Crystallographica Section C 58(10) (2002) o615-o618

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/29/2012992.cif $ #-------------------------------------------------------------------...

2,012,993

6.8039

0.0014

17.011

0.003

6.1959

0.0012

90

null

90

null

90

null

717.1

0.2

148

null

148

2

null

4

F m m 2

F 2 -2

42

2,6-diiodopyridine

- C5 H3 I2 N -

- C20 H12 I8 N4 -

4

0.25

LN1141

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

2,6-Diiodopyridine

Acta Crystallographica Section C

2,002

58

10

o602

o603

10.1107/S0108270102014932

0.71073

MoKα

0.02

null

0.0498

null

1.107

null

has coordinates,has Fobs

Holmes, Brian T.; Padgett, Clifford W.; Pennington, William T. 2,6-Diiodopyridine Acta Crystallographica Section C 58(10) (2002) o602-o603

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/29/2012993.cif $ #-------------------------------------------------------------------...

2,012,994

6.9306

0.0008

11.1084

0.0015

13.7591

0.0011

90

null

90

null

90

null

1,059.3

0.2

293

2

293

2

null

4

P 21 21 21

P 2ac 2ab

19

1-(2-deoxy-β-D-erythro-furanosyl)-1H-pyrazolo[3,4-d]pyrimidine

- C10 H12 N4 O3 -

- C40 H48 N16 O12 -

4

1

LN1143

He, Junlin; Seela, Frank; Eickmeier, Henning; Reuter, Hans

The regioisomeric 1H(2H)-pyrazolo[3,4-d]pyrimidine N^1^- and N^2^-(2'-deoxy-β-D-ribofuranosides)

Acta Crystallographica Section C

2,002

58

10

o593

o595

10.1107/S0108270102014944

0.71073

MoKα

0.0542

0.0424

null

0.0985

0.1046

null

1.032

null

has coordinates,has Fobs

He, Junlin; Seela, Frank; Eickmeier, Henning; Reuter, Hans The regioisomeric 1H(2H)-pyrazolo[3,4-d]pyrimidine N^1^- and N^2^-(2'-deoxy-β-D-ribofuranosides) Acta Crystallographica Section C 58(10) (2002) o593-o595

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/29/2012994.cif $ #-------------------------------------------------------------------...

2,012,995

4.9396

0.0007

13.1528

0.0014

8.178

0.0012

90

null

102.772

0.009

90

null

518.17

0.12

293

2

293

2

null

4

P 1 21 1

P 2yb

4

2-(2-deoxy-β-D-erythro-furanosyl)-2H-pyrazolo[3,4-d]pyrimidine

- C10 H12 N4 O3 -

- C20 H24 N8 O6 -

2

1

LN1143

He, Junlin; Seela, Frank; Eickmeier, Henning; Reuter, Hans

The regioisomeric 1H(2H)-pyrazolo[3,4-d]pyrimidine N^1^- and N^2^-(2'-deoxy-β-D-ribofuranosides)

Acta Crystallographica Section C

2,002

58

10

o593

o595

10.1107/S0108270102014944

0.71073

MoKα

0.0332

0.0328

null

0.092

0.0924

null

1.072

null

has coordinates,has Fobs

He, Junlin; Seela, Frank; Eickmeier, Henning; Reuter, Hans The regioisomeric 1H(2H)-pyrazolo[3,4-d]pyrimidine N^1^- and N^2^-(2'-deoxy-β-D-ribofuranosides) Acta Crystallographica Section C 58(10) (2002) o593-o595

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/29/2012995.cif $ #-------------------------------------------------------------------...

2,012,996

14.2921

0.0009

14.2755

0.0009

11.1465

0.0007

90

null

119.031

0.001

90

null

1,988.5

0.2

120

2

null

6

C 1 2/c 1

-C 2yc

15

- C6 H24 Ca N2 O16 P4 -

- C24 H96 Ca4 N8 O64 P16 -

4

0.5

OB1076

Fernández, Daniel; Vega, Daniel; Goeta, Andrés

The calcium-binding properties of pamidronate, a bone-resorption inhibitor

Acta Crystallographica Section C

2,002

58

10

m494

m497

10.1107/S010827010201497X

0.71073

MoKα

null

0.035

null

0.1

null

1.064

null

has coordinates,has Fobs

Fernández, Daniel; Vega, Daniel; Goeta, Andrés The calcium-binding properties of pamidronate, a bone-resorption inhibitor Acta Crystallographica Section C 58(10) (2002) m494-m497

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/29/2012996.cif $ #-------------------------------------------------------------------...

2,012,997

7.163

0.002

18.604

0.002

7.357

0.002

90

null

113.38

0.02

90

null

899.9

0.4

296.2

null

5

P 1 21/a 1

-P 2yab

14

- C6 H9 Cl Cu O5 -

- C24 H36 Cl4 Cu4 O20 -

4

1

OB1078

Odoko, Mamiko; Yamamoto, Kyouta; Okabe, Nobuo

catena-Poly[[[aqua(2-methyl-4-oxo-4H-pyran-3-olato-κO^3^,O^4^)copper(II)]-μ-chloro] monohydrate]

Acta Crystallographica Section C

2,002

58

10

m506

m508

10.1107/S0108270102015226

0.7107

MoKα

null

0.0205

null

0.0578

null

1.074

null

has coordinates,has Fobs

Odoko, Mamiko; Yamamoto, Kyouta; Okabe, Nobuo catena-Poly[[[aqua(2-methyl-4-oxo-4H-pyran-3-olato-κO^3^,O^4^)copper(II)]-μ-chloro] monohydrate] Acta Crystallographica Section C 58(10) (2002) m506-m508

176,432

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176432 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/29/2012997.cif $ #-------------------------------------------------------------------...

2,012,998

8.462

0.004

6.612

0.004

21.456

0.003

90

null

99.88

0.02

90

null

1,182.7

0.9

296.2

null

5

P 1 21/n 1

-P 2yn

14

- C22 H32 Cu N2 O6 -

- C44 H64 Cu2 N4 O12 -

2

0.5

OB1079

Okabe, Nobuo; Muranishi, Yasunori; Wada, Yoshio

5-n-Butylpyridine-2-carboxylate–copper(II) and –iron(III) complexes

Acta Crystallographica Section C

2,002

58

10

m511

m513

10.1107/S0108270102015615

0.7107

MoKα

null

0.045

null

0.166

null

1.222

null

has coordinates,has Fobs

Okabe, Nobuo; Muranishi, Yasunori; Wada, Yoshio 5-n-Butylpyridine-2-carboxylate–copper(II) and –iron(III) complexes Acta Crystallographica Section C 58(10) (2002) m511-m513

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/29/2012998.cif $ #-------------------------------------------------------------------...

2,012,999

9.946

0.005

22.271

0.005

14.072

0.004

90

null

98.4

0.03

90

null

3,083.6

1.9

296.2

null

5

P 1 21/n 1

-P 2yn

14

- C30 H36 Fe N3 O6 -

- C120 H144 Fe4 N12 O24 -

4

1

OB1079

Okabe, Nobuo; Muranishi, Yasunori; Wada, Yoshio

5-n-Butylpyridine-2-carboxylate–copper(II) and –iron(III) complexes

Acta Crystallographica Section C

2,002

58

10

m511

m513

10.1107/S0108270102015615

0.7107

MoKα

null

0.062

null

0.225

null

0.925

null

has coordinates,has Fobs

Okabe, Nobuo; Muranishi, Yasunori; Wada, Yoshio 5-n-Butylpyridine-2-carboxylate–copper(II) and –iron(III) complexes Acta Crystallographica Section C 58(10) (2002) m511-m513

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/29/2012999.cif $ #-------------------------------------------------------------------...

2,013,000

8.871

0.002

8.875

0.002

14.161

0.004

106.54

0.02

100.6

0.02

100.93

0.03

1,015.3

0.5

293

2

293

2

null

6

P -1

-P 1

2

trans-Bis(isothiocyanato-κN)bis(methanol-κO)bis[2,4,6-tri(4-pyridyl)- 1,3,5-triazine-κN^4^]manganese(II)

- C40 H32 Mn N14 O2 S2 -

1

0.5

OB1080

Kim, Jinkwon; Han, Sujin

trans-Bis(isothiocyanato-κN)bis(methanol-κO)bis[2,4,6-tri(4-pyridyl)-1,3,5-triazine-κN^2^]manganese(II)

Acta Crystallographica Section C

2,002

58

10

m521

m522

10.1107/S0108270102016475

0.71073

MoKα

0.069

0.049

null

0.122

0.132

null

1.012

null

has coordinates,has Fobs

Kim, Jinkwon; Han, Sujin trans-Bis(isothiocyanato-κN)bis(methanol-κO)bis[2,4,6-tri(4-pyridyl)-1,3,5-triazine-κN^2^]manganese(II) Acta Crystallographica Section C 58(10) (2002) m521-m522

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/30/2013000.cif $ #-------------------------------------------------------------------...

2,013,001

6.3186

0.0013

8.0176

0.0016

9.7493

0.0019

97.96

0.03

92.49

0.03

92.68

0.03

487.98

0.17

293

2

293

2

null

4

P -1

-P 1

2

1,3,5,7-tetraselenathiocalix[4]arene

1,3,5,7-Tetraselena-2,4,6,8(2,5)-tetrathiophenaoctaphane

- C16 H8 S4 Se4 -

1

0.5

SK1580

Kunnari, Sari M.; Oilunkaniemi, Raija; Laitinen, Risto S.; Ahlgren, Markku

1,3,5,7-Tetraselena-2,4,6,8(2,5)-tetrathiophenaoctaphane

Acta Crystallographica Section C

2,002

58

10

o610

o611

10.1107/S0108270102015408

0.71073

MoKα

0.041

0.033

null

0.087

0.091

null

1.156

null

has coordinates,has Fobs

Kunnari, Sari M.; Oilunkaniemi, Raija; Laitinen, Risto S.; Ahlgren, Markku 1,3,5,7-Tetraselena-2,4,6,8(2,5)-tetrathiophenaoctaphane Acta Crystallographica Section C 58(10) (2002) o610-o611

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/30/2013001.cif $ #-------------------------------------------------------------------...

2,013,002

12.961

0.008

7.979

0.005

18.113

0.011

90

null

104.184

0.01

90

null

1,816.1

1.9

293

2

293

2

null

6

P 1 21/c 1

-P 2ybc

14

fleroxacin hydrochloride hydrate

4-[3-carboxy-6,8-difluoro-1-(2-fluoroethyl)-1,4-dihydro-4-oxo-7-quinolyl]- 1-methylpiperazinium chloride hydrate

- C17 H21 Cl F3 N3 O4 -

- C68 H84 Cl4 F12 N12 O16 -

4

1

TA1382

Zheng, Xiang-Jun; Zhao, Hui-Chun; Jin, Lin-Pei

Fleroxacin hydrochloride hydrate

Acta Crystallographica Section C

2,002

58

10

o596

o597

10.1107/S0108270102014968

0.71073

MoKα

0.067

0.038

null

0.089

0.1

null

1.006

null

has coordinates,has Fobs

Zheng, Xiang-Jun; Zhao, Hui-Chun; Jin, Lin-Pei Fleroxacin hydrochloride hydrate Acta Crystallographica Section C 58(10) (2002) o596-o597

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/30/2013002.cif $ #-------------------------------------------------------------------...

2,013,003

31.172

0.01

10.407

0.003

19.116

0.006

90

null

116.002

0.003

90

null

5,574

3

163

2

163

2

null

6

C 1 2/c 1

-C 2yc

15

bis(μ-methyliminodiethanolato-1κ^3^O,N,O';1:2κ^2^O)(methyliminodiethanolato- 2κ^3^O,N,O')dipropanolato-1κO,2κO-titanium(IV)zirconium(IV)

- C21 H47 N3 O8 Ti Zr -

- C21.006 H44.186 N3 O8 Ti Zr -

- C168.048 H353.488 N24 O64 Ti8 Zr8 -

8

1

TA1389

Gainsford, Graeme J.; Al-Salim, Najeh; Kemmitt, Tim

A novel titanium‒μ-O‒zirconium complex: bis(μ-methyliminodiethanolato-1κ^3^O,N,O';1:2κ^2^O)(methyliminodiethanolato-2κ^3^O,N,O')dipropanolato-1κO,2κO-titanium(IV)zirconium(IV)

Acta Crystallographica Section C

2,002

58

10

m509

m510

10.1107/S0108270102015275

0.71073

MoKα

0.072

0.043

null

0.098

0.104

null

0.95

null

has coordinates,has disorder,has Fobs

Gainsford, Graeme J.; Al-Salim, Najeh; Kemmitt, Tim A novel titanium‒μ-O‒zirconium complex: bis(μ-methyliminodiethanolato-1κ^3^O,N,O';1:2κ^2^O)(methyliminodiethanolato-2κ^3^O,N,O')dipropanolato-1κO,2κO-titanium(IV)zirconium(IV) Acta Crystallographica Sectio...

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/30/2013003.cif $ #-------------------------------------------------------------------...

2,013,004

13.285

0.006

5.394

0.002

13.75

0.006

90

null

100.19

0.03

90

null

969.8

0.7

293

2

293

2

null

5

P 1 21 1

P 2yb

4

Dipotassium dimanganese tristrontium tris(diphosphate)

- K2 Mn2 O21 P6 Sr3 -

- K4 Mn4 O42 P12 Sr6 -

2

1

TA1391

Aicha El Maadi; Ali Boukhari; Elizabeth M. Holt

Dipotassium tristrontium dimanganese tris(diphosphate)

Acta Crystallographica Section C

2,002

58

10

i141

i143

10.1107/S0108270102015214

0.71073

MoKα

0.1107

0.0663

null

0.1499

0.1736

null

1.013

null

has coordinates,has Fobs

Aicha El Maadi; Ali Boukhari; Elizabeth M. Holt Dipotassium tristrontium dimanganese tris(diphosphate) Acta Crystallographica Section C 58(10) (2002) i141-i143

176,760

2020-10-21

18:00:00

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2,013,005

8.5668

0.0005

11.9073

0.0006

14.0768

0.0008

109.195

0.001

103.383

0.001

96.374

0.001

1,291.63

0.12

293

2

293

2

null

6

P -1

-P 1

2

Diaqua(18-crown-6)barium(II)sulfide saccharin

di-(μ-sulfido-1:2κ^2^S)bis[(diaqua-1,4,7,10,13,16-hexaoxacyclooctadecane- 6κO)barium(II)] bis(saccharin)

- C38 H66 Ba2 N2 O22 S4 -

1

0.5

AV1115

Suchada Chantrapromma; Anwar Usman; Hoong-Kun Fun

Di-μ-sulfido-bis[diaqua(18-crown-6)barium(II)]‒saccharin (1/2)

Acta Crystallographica Section C

2,002

58

11

m534

m536

10.1107/S0108270102016712

0.71073

MoKα

0.037

0.034

null

0.1

0.102

null

1.098

null

has coordinates,has Fobs

Suchada Chantrapromma; Anwar Usman; Hoong-Kun Fun Di-μ-sulfido-bis[diaqua(18-crown-6)barium(II)]‒saccharin (1/2) Acta Crystallographica Section C 58(11) (2002) m534-m536

176,760

2020-10-21

18:00:00

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2,013,006

9.7563

0.0003

28.5733

0.001

7.2263

0.0002

90

null

90

null

90

null

2,014.47

0.11

293

2

293

2

null

3

P c c n

-P 2ab 2ac

56

cis-transoid-cis dicyclohexano-18-crown-6

cis-transoid-cis 2,5,8,15,18,21-hexaoxatricyclo[20.4.0.0^9,14^]hexacosane

- C20 H36 O6 -

- C80 H144 O24 -

4

0.5

AV1116

Kravtsov, Victor Ch.; Fonari, Marina S.; Zaworotko, Michael J.; Lipkowski, Janusz

A new polymorph of cis–transoid–cis-dicyclohexano-18-crown-6

Acta Crystallographica Section C

2,002

58

11

o683

o684

10.1107/S0108270102018206

0.71073

MoKα

0.133

0.046

null

0.087

0.102

null

0.895

null

has coordinates,has Fobs

Kravtsov, Victor Ch.; Fonari, Marina S.; Zaworotko, Michael J.; Lipkowski, Janusz A new polymorph of cis–transoid–cis-dicyclohexano-18-crown-6 Acta Crystallographica Section C 58(11) (2002) o683-o684

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/30/2013006.cif $ #-------------------------------------------------------------------...

2,013,007

13.7492

0.0003

14.9672

0.0003

16.8669

0.0003

97.9362

0.0002

109.755

0.0007

108.864

0.0007

2,969.64

0.11

293

2

293

2

null

5

P -1

-P 1

2

triaqua(1,4,7,10,13,16-hexaoxacyclooctadecane-κ^6^O)(2-nitrophenolato- κO)barium(II)‒2-nitrophenolate‒aqua(1,4,7,10,13,16- hexaoxacyclooctadecane-κ^6^O)bis(2-nitrophenolato-κ^2^O,O')barium(II) (1/1/1)

- C48 H72 Ba2 N4 O28 -

- C96 H144 Ba4 N8 O56 -

2

1

AV1117

Chantrapromma, Suchada; Usman, Anwar; .; Fun, Hoong-Kun; .

A ternary complex of aqua(18-crown-6)bis(o-nitrophenolato)barium(II), the triaqua(18-crown-6)(o-nitrophenolato)barium(II) cation and the o-nitrophenolate anion

Acta Crystallographica Section C

2,002

58

11

m531

m533

10.1107/S0108270102016451

0.71073

MoKα

0.075

0.063

null

0.164

0.171

null

0.964

null

has coordinates,has Fobs

Chantrapromma, Suchada; Usman, Anwar; .; Fun, Hoong-Kun; . A ternary complex of aqua(18-crown-6)bis(o-nitrophenolato)barium(II), the triaqua(18-crown-6)(o-nitrophenolato)barium(II) cation and the o-nitrophenolate anion Acta Crystallographica Section C 58(11) (2002) m531-m533

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/30/2013007.cif $ #-------------------------------------------------------------------...

2,013,008

7.5707

0.0015

11.303

0.002

12.605

0.003

63.98

0.03

84.49

0.03

82.26

0.03

959.6

0.4

293

2

293

2

null

6

P -1

-P 1

2

propylammonium tris(2-aminoethyl)amine-1κ^4^N-di-μ-thio-1:2κ^4^S-dithio- 2κ^2^S-antimony(V)nickel(II)

- C9 H28 N5 Ni S4 Sb -

- C18 H56 N10 Ni2 S8 Sb2 -

2

1

AV1121

Ralph Stähler; Wolfgang Bensch

The new thioantimonate(V) (C~3~H~10~N)[NiSbS~4~(C~6~H~18~N~4~)]

Acta Crystallographica Section C

2,002

58

11

m537

m538

10.1107/S0108270102017754

0.71073

MoKα

0.031

0.019

null

0.047

0.05

null

1.017

null

has coordinates,has Fobs

Ralph Stähler; Wolfgang Bensch The new thioantimonate(V) (C~3~H~10~N)[NiSbS~4~(C~6~H~18~N~4~)] Acta Crystallographica Section C 58(11) (2002) m537-m538

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/30/2013008.cif $ #-------------------------------------------------------------------...

2,013,009

7.9273

0.0014

12.721

0.002

7.4773

0.0014

90

null

102.382

0.006

90

null

736.5

0.2

133

2

133

2

null

4

P 1 21/c 1

-P 2ybc

14

2-chloromethylpyridinium chloride

- C6 H7 Cl2 N -

- C24 H28 Cl8 N4 -

4

1

BM1509

Jones, Peter G.; Vancea, Fabiola; Herbst-Irmer, Regine

Secondary interactions in n-(chloromethyl)pyridinium chlorides (n = 2, 3, 4)

Acta Crystallographica Section C

2,002

58

11

o665

o668

10.1107/S0108270102017018

0.71073

MoKα

0.034

0.027

null

0.069

0.071

null

1.042

null

has coordinates,has Fobs

Jones, Peter G.; Vancea, Fabiola; Herbst-Irmer, Regine Secondary interactions in n-(chloromethyl)pyridinium chlorides (n = 2, 3, 4) Acta Crystallographica Section C 58(11) (2002) o665-o668

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/30/2013009.cif $ #-------------------------------------------------------------------...

2,013,010

23.037

0.004

4.331

0.0008

14.855

0.003

90

null

104.441

0.012

90

null

1,435.3

0.5

133

2

133

2

null

4

C 1 2/c 1

-C 2yc

15

3-chloromethylpyridinium chloride

- C6 H7 Cl2 N -

- C48 H56 Cl16 N8 -

8

1

BM1509

Jones, Peter G.; Vancea, Fabiola; Herbst-Irmer, Regine

Secondary interactions in n-(chloromethyl)pyridinium chlorides (n = 2, 3, 4)

Acta Crystallographica Section C

2,002

58

11

o665

o668

10.1107/S0108270102017018

0.71073

MoKα

0.068

0.047

null

0.114

0.123

null

1.013

null

has coordinates,has Fobs

Jones, Peter G.; Vancea, Fabiola; Herbst-Irmer, Regine Secondary interactions in n-(chloromethyl)pyridinium chlorides (n = 2, 3, 4) Acta Crystallographica Section C 58(11) (2002) o665-o668

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/30/2013010.cif $ #-------------------------------------------------------------------...

2,013,011

6.9531

0.0004

7.4755

0.0006

7.4978

0.0004

71.119

0.003

75.731

0.003

72.694

0.003

347.16

0.04

133

2

133

2

null

4

P -1

-P 1

2

4-chloromethylpyridinium chloride

- C6 H7 Cl2 N -

- C12 H14 Cl4 N2 -

2

1

BM1509

Jones, Peter G.; Vancea, Fabiola; Herbst-Irmer, Regine

Secondary interactions in n-(chloromethyl)pyridinium chlorides (n = 2, 3, 4)

Acta Crystallographica Section C

2,002

58

11

o665

o668

10.1107/S0108270102017018

0.71073

MoKα

0.027

0.024

null

0.069

0.07

null

1.119

null

has coordinates,has Fobs

Jones, Peter G.; Vancea, Fabiola; Herbst-Irmer, Regine Secondary interactions in n-(chloromethyl)pyridinium chlorides (n = 2, 3, 4) Acta Crystallographica Section C 58(11) (2002) o665-o668

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/30/2013011.cif $ #-------------------------------------------------------------------...

2,013,012

6.46

0.004

30.997

0.007

10.665

0.002

90

null

90.22

0.04

90

null

2,135.6

1.5

293

2

293

2

null

4

C 1 2/c 1

-C 2yc

15

- Fe5 K3 O24 P6 -

- Fe20 K12 O96 P24 -

4

0.5

BR1386

Lajmi, Besma; Hidouri, Mourad; Ben Amara, Mongi

The iron phosphate K~3~Fe~5~(PO~4~)~6~

Acta Crystallographica Section C

2,002

58

11

i156

i158

10.1107/S0108270102015251

0.56087

AgKα

0.0254

0.0186

null

0.0487

0.0505

null

1.077

null

has coordinates,has Fobs

Lajmi, Besma; Hidouri, Mourad; Ben Amara, Mongi The iron phosphate K~3~Fe~5~(PO~4~)~6~ Acta Crystallographica Section C 58(11) (2002) i156-i158

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/30/2013012.cif $ #-------------------------------------------------------------------...

2,013,013

5.7148

0.0009

8.6568

0.0008

10.6906

0.0011

108.623

0.009

99.878

0.015

105.561

0.013

463.26

0.12

293

2

293

2

null

4

P -1

-P 1

2

4,4'-ethylenedipyridinium dimaleate

- C20 H18 N2 O8 -

1

0.5

DE1187

Zhang, Jing; Hou, Xueliang; Bu, Weifeng; Wu, Lixin; Ye, Ling; Yang, Guangdi; Fan, Yuguo

Hydrogen-bonded 1,2-bis(4-pyridyl)ethylene and maleic acid

Acta Crystallographica Section C

2,002

58

11

o663

o664

10.1107/S0108270102017079

0.71073

MoKα

0.097

0.066

null

0.166

0.188

null

1.047

null

has coordinates,has Fobs

Zhang, Jing; Hou, Xueliang; Bu, Weifeng; Wu, Lixin; Ye, Ling; Yang, Guangdi; Fan, Yuguo Hydrogen-bonded 1,2-bis(4-pyridyl)ethylene and maleic acid Acta Crystallographica Section C 58(11) (2002) o663-o664

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/30/2013013.cif $ #-------------------------------------------------------------------...

2,013,014

14.559

0.002

10.755

0.002

15.346

0.004

90

null

114.1

0.01

90

null

2,193.5

0.8

293

2

293

2

null

4

P 1 21/c 1

-P 2ybc

14

4,4-Dimethoxy-7,11-diphenyl-2,4-diazaspiro[5.5]undecane-1,3,5-trione monohydrate

- C23 H26 N2 O6 -

- C92 H104 N8 O24 -

4

1

DE1191

Malathy Sony, S. M.; Kuppayee, M.; Ponnuswamy, M. N.; Bhasker Reddy, D.; Padmavathi, V.; Fun, Hoong-Kun

9,9-Dimethoxy-7,11-diphenyl-2,4-diazaspiro[5.5]undecane-1,3,5-trione monohydrate

Acta Crystallographica Section C

2,002

58

11

o678

o680

10.1107/S0108270102017080

0.71073

MoKα

0.284

0.067

null

0.139

0.192

null

0.742

null

has coordinates,has Fobs

Malathy Sony, S. M.; Kuppayee, M.; Ponnuswamy, M. N.; Bhasker Reddy, D.; Padmavathi, V.; Fun, Hoong-Kun 9,9-Dimethoxy-7,11-diphenyl-2,4-diazaspiro[5.5]undecane-1,3,5-trione monohydrate Acta Crystallographica Section C 58(11) (2002) o678-o680

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/30/2013014.cif $ #-------------------------------------------------------------------...

2,013,015

5.903

0.001

5.903

0.001

45.164

0.004

90

null

90

null

90

null

1,573.8

0.4

293

2

293

2

null

4

P 41 21 2

P 4abw 2nw

92

(S)-trans-cyclohexane-1,2-dicarboximide

- C8 H11 N O2 -

- C64 H88 N8 O16 -

8

1

FA1000

Gdaniec, Maria; Nowak, Elżbieta; Milewska, Maria J.; Połoński, Tadeusz

(S)-trans-Cyclohexane-1,2-dicarboximide

Acta Crystallographica Section C

2,002

58

11

o661

o662

10.1107/S0108270102018061

1.54178

CuKα

0.044

0.041

null

0.128

null

0.125

null

1.053

null

1.068

null

has coordinates

Gdaniec, Maria; Nowak, Elżbieta; Milewska, Maria J.; Połoński, Tadeusz (S)-trans-Cyclohexane-1,2-dicarboximide Acta Crystallographica Section C 58(11) (2002) o661-o662

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/30/2013015.cif $ #-------------------------------------------------------------------...

2,013,016

7.6006

0.0006

21.16

0.0016

11.4733

0.0009

90

null

98.916

0.001

90

null

1,822.9

0.2

293

2

293

2

null

5

P 1 21/c 1

-P 2ybc

14

aqua(1,10-phenanthroline-κ^2^N,N')(pyridine-2,6-dicarboxylato- κ^3^O^2^,N,O^6^)manganese(II) monohydrate

- C19 H15 Mn N3 O6 -

- C76 H60 Mn4 N12 O24 -

4

1

FG1665

Ma, Chengbing; Fan, Cheng; Chen, Changneng; Liu, Qiutian

Aqua(dipicolinato-κ^3^O^2^,N,O^6^)(1,10-phenanthroline-κ^2^N,N')manganese(II) monohydrate

Acta Crystallographica Section C

2,002

58

11

m553

m555

10.1107/S010827010201822X

0.71073

MoKα

0.077

0.044

null

0.101

0.125

null

1.032

null

has coordinates

Ma, Chengbing; Fan, Cheng; Chen, Changneng; Liu, Qiutian Aqua(dipicolinato-κ^3^O^2^,N,O^6^)(1,10-phenanthroline-κ^2^N,N')manganese(II) monohydrate Acta Crystallographica Section C 58(11) (2002) m553-m555

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/30/2013016.cif $ #-------------------------------------------------------------------...

2,013,017

10.228

0.002

5.184

0.001

19.047

0.004

90

null

103.6

0.03

90

null

981.6

0.4

153

2

153

2

null

4

P 1 21/c 1

-P 2ybc

14

2-Aminopyridinium-succinate-succinic acid (2/1/1)

- C18 H24 N4 O8 -

- C36 H48 N8 O16 -

2

0.5

FR1391

Büyükgüngör, Orhan; Odabas̨oǧlu, Mustafa

2-Aminopyridinium–succinate–succinic acid (2/1/1)

Acta Crystallographica Section C

2,002

58

11

o691

o692

10.1107/S0108270102017808

0.71073

MoKα

0.06

0.037

null

0.092

0.104

null

1.023

null

has coordinates,has Fobs

Büyükgüngör, Orhan; Odabas̨oǧlu, Mustafa 2-Aminopyridinium–succinate–succinic acid (2/1/1) Acta Crystallographica Section C 58(11) (2002) o691-o692

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/30/2013017.cif $ #-------------------------------------------------------------------...

2,013,018

9.7278

0.001

17.907

0.003

13.541

0.002

90

null

110.907

0.008

90

null

2,203.5

0.6

170

2

170

2

null

5

P 1 21/c 1

-P 2ybc

14

3-(2-fluorophenyl)-3-(triphenylgermyl)propionic acid

- C27 H23 F Ge O2 -

- C108 H92 F4 Ge4 O8 -

4

1

FR1392

Hans, Karm; Parvez, Masood; Mahboob, Sumera; Imtiaz-ud-Din; Mazhar, Muhammad; Ali, Saqib

Derivatives of substituted 3-trichlorogermylpropionic acid

Acta Crystallographica Section C

2,002

58

11

m559

m562

10.1107/S010827010201795X

0.71073

MoKα

0.035

0.028

null

0.067

0.07

null

1.03

null

has coordinates,has Fobs

Hans, Karm; Parvez, Masood; Mahboob, Sumera; Imtiaz-ud-Din; Mazhar, Muhammad; Ali, Saqib Derivatives of substituted 3-trichlorogermylpropionic acid Acta Crystallographica Section C 58(11) (2002) m559-m562

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/30/2013018.cif $ #-------------------------------------------------------------------...

2,013,019

10.984

0.003

13.71

0.004

20.245

0.005

90

null

113.857

0.014

90

null

2,788.2

1.3

293

2

293

2

null

4

P 1 21/c 1

-P 2ybc

14

3-(2-tolyl)-3-(tri-4-tolylgermyl)propionic acid

- C31 H32 Ge O2 -

- C124 H128 Ge4 O8 -

4

1

FR1392

Hans, Karm; Parvez, Masood; Mahboob, Sumera; Imtiaz-ud-Din; Mazhar, Muhammad; Ali, Saqib

Derivatives of substituted 3-trichlorogermylpropionic acid

Acta Crystallographica Section C

2,002

58

11

m559

m562

10.1107/S010827010201795X

0.71073

MoKα

0.081

0.043

null

0.098

0.115

null

1.01

null

has coordinates,has Fobs

Hans, Karm; Parvez, Masood; Mahboob, Sumera; Imtiaz-ud-Din; Mazhar, Muhammad; Ali, Saqib Derivatives of substituted 3-trichlorogermylpropionic acid Acta Crystallographica Section C 58(11) (2002) m559-m562

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/30/2013019.cif $ #-------------------------------------------------------------------...

2,013,020

10.476

0.002

16.337

0.003

15.119

0.005

90

null

92.018

0.008

90

null

2,586

1.1

123

2

123

2

null

4

P 1 21/n 1

-P 2yn

14

3-(tribenzylgermyl)-3-(4-tolyl)propionic acid

- C31 H32 Ge O2 -

- C124 H128 Ge4 O8 -

4

1

FR1392

Hans, Karm; Parvez, Masood; Mahboob, Sumera; Imtiaz-ud-Din; Mazhar, Muhammad; Ali, Saqib

Derivatives of substituted 3-trichlorogermylpropionic acid

Acta Crystallographica Section C

2,002

58

11

m559

m562

10.1107/S010827010201795X

0.71073

MoKα

0.054

0.037

null

0.087

0.094

null

1.04

null

has coordinates,has disorder,has Fobs

Hans, Karm; Parvez, Masood; Mahboob, Sumera; Imtiaz-ud-Din; Mazhar, Muhammad; Ali, Saqib Derivatives of substituted 3-trichlorogermylpropionic acid Acta Crystallographica Section C 58(11) (2002) m559-m562

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/30/2013020.cif $ #-------------------------------------------------------------------...

2,013,021

7.282

0.002

13.14

0.003

6.76

0.002

90

null

90

null

90

null

646.8

0.3

174

2

174

2

null

3

P n a 21

P 2c -2n

33

phthalaldehyde

benzene-1,2-dicarbaldehyde

- C8 H6 O2 -

- C32 H24 O8 -

4

1

FR1394

Britton, Doyle

o- and m-Benzenedicarbaldehyde

Acta Crystallographica Section C

2,002

58

11

o637

o639

10.1107/S0108270102015597

0.71073

MoKα

0.03

0.027

null

0.077

0.078

null

1.05

null

has coordinates

Britton, Doyle o- and m-Benzenedicarbaldehyde Acta Crystallographica Section C 58(11) (2002) o637-o639

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/30/2013021.cif $ #-------------------------------------------------------------------...

2,013,022

3.776

0.001

11.171

0.003

15.229

0.004

90

null

94.98

0.01

90

null

640

0.3

174

2

174

2

null

3

P 1 21/n 1

-P 2yn

14

isophthalaldehyde

benzene-1,3-dicarboxaldehyde, polymorph A

- C8 H6 O2 -

- C32 H24 O8 -

4

1

FR1394

Britton, Doyle

o- and m-Benzenedicarbaldehyde

Acta Crystallographica Section C

2,002

58

11

o637

o639

10.1107/S0108270102015597

0.71073

MoKα

0.054

0.039

null

0.079

0.099

null

1.05

null

has coordinates,has Fobs

Britton, Doyle o- and m-Benzenedicarbaldehyde Acta Crystallographica Section C 58(11) (2002) o637-o639

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/30/2013022.cif $ #-------------------------------------------------------------------...

2,013,023

11.374

0.003

3.811

0.001

15.721

0.004

90

null

110.419

0.01

90

null

638.6

0.3

173

2

173

2

null

3

P 1 21/n 1

-P 2yn

14

isophthalaldehyde

benzene-1,3-dicarbaldehyde, polymorph B

- C8 H6 O2 -

- C32 H24 O8 -

4

1

FR1394

Britton, Doyle

o- and m-Benzenedicarbaldehyde

Acta Crystallographica Section C

2,002

58

11

o637

o639

10.1107/S0108270102015597

0.71073

MoKα

0.049

0.042

null

0.117

0.118

null

1.08

null

has coordinates,has Fobs

Britton, Doyle o- and m-Benzenedicarbaldehyde Acta Crystallographica Section C 58(11) (2002) o637-o639

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/30/2013023.cif $ #-------------------------------------------------------------------...

2,013,024

7.3215

0.0002

12.048

0.0003

10.5082

0.0003

90

null

98.877

0.001

90

null

915.82

0.04

150

2

150

2

null

5

P 1 21/c 1

-P 2ybc

14

2'-fluoroacetoacetanilide

- C10 H10 F N O2 -

- C40 H40 F4 N4 O8 -

4

1

GD1216

Chisholm, Greig; Kennedy, Alan R.; Beaton, Laura; Brook, Eve

Structural motifs in acetoacetanilides: the effect of a fluorine substituent

Acta Crystallographica Section C

2,002

58

11

o645

o648

10.1107/S0108270102016086

0.71073

MoKα

0.041

0.033

null

0.09

0.094

null

1.057

null

has coordinates,has Fobs

Chisholm, Greig; Kennedy, Alan R.; Beaton, Laura; Brook, Eve Structural motifs in acetoacetanilides: the effect of a fluorine substituent Acta Crystallographica Section C 58(11) (2002) o645-o648

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/30/2013024.cif $ #-------------------------------------------------------------------...

2,013,025

9.4933

0.0003

9.7792

0.0003

20.2345

0.0007

90

null

90

null

90

null

1,878.51

0.11

150

2

150

2

null

5

P b c a

-P 2ac 2ab

61

3'-fluoroacetoacetanilide

- C10 H10 F N O2 -

- C80 H80 F8 N8 O16 -

8

1

GD1216

Chisholm, Greig; Kennedy, Alan R.; Beaton, Laura; Brook, Eve

Structural motifs in acetoacetanilides: the effect of a fluorine substituent

Acta Crystallographica Section C

2,002

58

11

o645

o648

10.1107/S0108270102016086

0.71073

MoKα

0.086

0.043

null

0.091

0.104

null

1.015

null

has coordinates,has Fobs

Chisholm, Greig; Kennedy, Alan R.; Beaton, Laura; Brook, Eve Structural motifs in acetoacetanilides: the effect of a fluorine substituent Acta Crystallographica Section C 58(11) (2002) o645-o648

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/30/2013025.cif $ #-------------------------------------------------------------------...

2,013,026

4.9811

0.0001

20.7383

0.0004

18.4869

0.0005

90

null

93.021

0.001

90

null

1,907.03

0.07

150

2

150

2

null

5

P 1 21/c 1

-P 2ybc

14

4'-fluoroacetoacetanilide

- C10 H10 F N O2 -

- C80 H80 F8 N8 O16 -

8

2

GD1216

Chisholm, Greig; Kennedy, Alan R.; Beaton, Laura; Brook, Eve

Structural motifs in acetoacetanilides: the effect of a fluorine substituent

Acta Crystallographica Section C

2,002

58

11

o645

o648

10.1107/S0108270102016086

0.71073

MoKα

0.093

0.046

null

0.097

0.113

null

1.026

null

has coordinates,has Fobs

Chisholm, Greig; Kennedy, Alan R.; Beaton, Laura; Brook, Eve Structural motifs in acetoacetanilides: the effect of a fluorine substituent Acta Crystallographica Section C 58(11) (2002) o645-o648

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/30/2013026.cif $ #-------------------------------------------------------------------...

2,013,027

14.1297

0.0005

16.0074

0.0007

15.699

0.001

90

null

102.533

0.004

90

null

3,466.2

0.3

293

2

293

2

null

4

P 1 21 1

P 2yb

4

7-MI

7-methoxy-1H-indazole

- C8 H8 N2 O -

- C144 H144 N36 O18 -

18

9

GD1218

Sopková-de Oliveira Santos, Jana; Collot, Valerie; Rault, Sylvain

7-Methoxy-1H-indazole, a new inhibitor of neuronal nitric oxide synthase

Acta Crystallographica Section C

2,002

58

11

o688

o690

10.1107/S0108270102017948

0.71073

MoKα

0.178

0.053

null

0.096

0.128

null

0.981

null

has coordinates,has Fobs

Sopková-de Oliveira Santos, Jana; Collot, Valerie; Rault, Sylvain 7-Methoxy-1H-indazole, a new inhibitor of neuronal nitric oxide synthase Acta Crystallographica Section C 58(11) (2002) o688-o690

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/30/2013027.cif $ #-------------------------------------------------------------------...

2,013,028

13.2734

0.0001

14.3376

0.0001

18.664

0.0002

90

null

90

null

90

null

3,551.92

0.05

296

2

296

2

null

7

P 21 21 21

P 2ac 2ab

19

(S)-Ru(η^5^-C~5~H~5){(+)EPHOS}Cl

chloro(η^5^-cyclopentadienyl)-(+)-{(2S,3R)-2-[(diphenylphosphino)methylamino]- 3-phenylpropyl diphenylphosphinite-κ^2^P,P'}ruthenium(II)

- C39 H38 Cl N O P2 Ru -

- C156 H152 Cl4 N4 O4 P8 Ru4 -

4

1

GD1228

Haquette, Pierre; Lebideau, Franck; Dagorne, Samuel; Marrot, Jérôme; Jaouen, Gérard

A new optically pure half-sandwich Cp‒Ru diphosphine complex with a chiral metal centre, (S)-Ru(η^5^-C~5~H~5~)(EPHOS)Cl {EPHOS is (+)-(1R,2S)-2-[(diphenylphosphino)methylamino]-1-phenylpropyl diphenylphosphinite}

Acta Crystallographica Section C

2,002

58

11

m551

m552

10.1107/S0108270102018395

0.71073

MoKα

0.073

0.038

null

0.067

0.078

null

1.005

null

has coordinates,has Fobs

Haquette, Pierre; Lebideau, Franck; Dagorne, Samuel; Marrot, Jérôme; Jaouen, Gérard A new optically pure half-sandwich Cp‒Ru diphosphine complex with a chiral metal centre, (S)-Ru(η^5^-C~5~H~5~)(EPHOS)Cl {EPHOS is (+)-(1R,2S)-2-[(diphenylphosphino)methylamino]-1-phenylpropyl diphenylphosphinite} Ac...

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/30/2013028.cif $ #-------------------------------------------------------------------...

2,013,029

10.1678

0.0004

11.297

0.0006

11.3566

0.0006

90

null

90.284

0.003

90

null

1,304.47

0.11

150

2

150

2

null

3

P 1 21/c 1

-P 2ybc

14

- C16 H14 N4 -

- C64 H56 N16 -

4

1

Lynch, Daniel E.; McClenaghan, Ian

1-(2-Pyridyl)ethan-1-one (8-quinolyl)hydrazone and 1-(1H-pyrrol-2-yl)ethan-1-one (8-quinolyl)hydrazone

Acta Crystallographica, Section C

2,002

58

o642

o644

10.1107/S0108270102017109

null

has coordinates

Lynch, Daniel E.; McClenaghan, Ian 1-(2-Pyridyl)ethan-1-one (8-quinolyl)hydrazone and 1-(1H-pyrrol-2-yl)ethan-1-one (8-quinolyl)hydrazone Acta Crystallographica, Section C 58 (2002) o642-o644

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/30/2013029.cif $ #-------------------------------------------------------------------...

2,013,030

10.69

0.002

5.5066

0.0011

21.363

0.004

90

null

90

null

90

null

1,257.5

0.4

150

2

150

2

null

3

P c a 21

P 2c -2ac

29

- C15 H14 N4 -

- C60 H56 N16 -

4

1

Lynch, Daniel E.; McClenaghan, Ian

1-(2-Pyridyl)ethan-1-one (8-quinolyl)hydrazone and 1-(1H-pyrrol-2-yl)ethan-1-one (8-quinolyl)hydrazone

Acta Crystallographica, Section C

2,002

58

o642

o644

10.1107/S0108270102017109

null

has coordinates

Lynch, Daniel E.; McClenaghan, Ian 1-(2-Pyridyl)ethan-1-one (8-quinolyl)hydrazone and 1-(1H-pyrrol-2-yl)ethan-1-one (8-quinolyl)hydrazone Acta Crystallographica, Section C 58 (2002) o642-o644

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/30/2013030.cif $ #-------------------------------------------------------------------...

2,013,031

5.6862

0.0004

13.0264

0.0008

15.563

0.002

90

null

90

null

90

null

1,152.76

0.18

298

2

298

2

null

4

P 21 21 21

P 2ac 2ab

19

3,6-Bis(thiophen-2-yl)pyridazine

- C12 H8 N2 S2 -

- C48 H32 N8 S8 -

4

1

GG1137

Ackers, Brian; Blake, Alexander J.; Hill, Stuart J.; Hubberstey, Peter

3,6-Di(thiophen-2-yl)pyridazine

Acta Crystallographica Section C

2,002

58

11

o640

o641

10.1107/S0108270102016037

0.71073

MoKα

0.036

0.032

null

0.071

0.074

null

1.108

null

has coordinates,has Fobs

Ackers, Brian; Blake, Alexander J.; Hill, Stuart J.; Hubberstey, Peter 3,6-Di(thiophen-2-yl)pyridazine Acta Crystallographica Section C 58(11) (2002) o640-o641

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/30/2013031.cif $ #-------------------------------------------------------------------...

2,013,032

16.199

0.005

12.661

0.004

14.785

0.004

90

null

115.23

0.03

90

null

2,743.1

1.6

293

2

293

2

null

5

C 1 2/c 1

-C 2yc

15

10-methylacridinium methyl sulfate

- C15 H15 N O4 S -

- C120 H120 N8 O32 S8 -

8

1

GG1138

Meszko, Joanna; Sikorski, Artur; Huta, Olexyj M.; Konitz, Antoni; Błażejowski, Jerzy

10-Methyl- and 9,10-dimethylacridinium methyl sulfate

Acta Crystallographica Section C

2,002

58

11

o669

o671

10.1107/S0108270102017171

1.54178

CuKα

0.059

0.046

null

0.147

0.168

null

1.106

null

has coordinates,has Fobs

Meszko, Joanna; Sikorski, Artur; Huta, Olexyj M.; Konitz, Antoni; Błażejowski, Jerzy 10-Methyl- and 9,10-dimethylacridinium methyl sulfate Acta Crystallographica Section C 58(11) (2002) o669-o671

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/30/2013032.cif $ #-------------------------------------------------------------------...

2,013,033

9.271

0.002

6.822

0.001

11.591

0.002

90

null

96.24

0.03

90

null

728.7

0.2

293

2

293

2

null

5

P 1 21/m 1

-P 2yb

11

9,10-dimethylacridinium methyl sulfate

- C16 H17 N O4 S -

- C32 H34 N2 O8 S2 -

2

0.5

GG1138

Meszko, Joanna; Sikorski, Artur; Huta, Olexyj M.; Konitz, Antoni; Błażejowski, Jerzy

10-Methyl- and 9,10-dimethylacridinium methyl sulfate

Acta Crystallographica Section C

2,002

58

11

o669

o671

10.1107/S0108270102017171

1.54178

CuKα

0.048

0.046

null

0.135

0.137

null

1.128

null

has coordinates,has Fobs

Meszko, Joanna; Sikorski, Artur; Huta, Olexyj M.; Konitz, Antoni; Błażejowski, Jerzy 10-Methyl- and 9,10-dimethylacridinium methyl sulfate Acta Crystallographica Section C 58(11) (2002) o669-o671

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/30/2013033.cif $ #-------------------------------------------------------------------...

2,013,034

8.179

0.0016

22.747

0.005

31.752

0.006

90

null

90

null

90

null

5,907

2

193

2

193

2

null

7

P b c a

-P 2ac 2ab

61

Acetonitrile[2,6-bis(pyrazol-1-yl)pyridine](isonicotinamide)copper(II)– tetrafluoroborate–acetonitrile (1/2/2)

- C23 H24 B2 Cu F8 N10 O -

- C184 H192 B16 Cu8 F64 N80 O8 -

8

1

GG1141

Baum, Gerhard; Blake, Alexander J.; Fenske, Dieter; Hubberstey, Peter; Julio, Carine; Withersby, Matthew A.

(Acetonitrile)[2,6-bis(pyrazol-1-yl)pyridine](isonicotinamide)copper(II)–tetrafluoroborate–acetonitrile (1/2/2)

Acta Crystallographica Section C

2,002

58

11

m542

m544

10.1107/S0108270102018097

0.71073

MoKα

0.089

0.059

null

0.157

0.175

null

1.01

null

has coordinates,has disorder,has Fobs

Baum, Gerhard; Blake, Alexander J.; Fenske, Dieter; Hubberstey, Peter; Julio, Carine; Withersby, Matthew A. (Acetonitrile)[2,6-bis(pyrazol-1-yl)pyridine](isonicotinamide)copper(II)–tetrafluoroborate–acetonitrile (1/2/2) Acta Crystallographica Section C 58(11) (2002) m542-m544

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/30/2013034.cif $ #-------------------------------------------------------------------...

2,013,035

5.124

0.001

12.213

0.005

15.072

0.009

90

null

90

null

90

null

943.2

0.7

293

2

293

2

null

5

P 21 21 21

P 2ac 2ab

19

Sodium zinc diiron(III) triphosphate

- Fe2 Na O12 P3 Zn -

- Fe8 Na4 O48 P12 Zn4 -

4

1

IZ1022

Hidouri, Mourad; Lajmi, Besma; Ben Amara, Mongi

The iron phosphate NaZnFe~2~(PO~4~)~3~

Acta Crystallographica Section C

2,002

58

11

i147

i148

10.1107/S010827010201541X

0.71073

MoKα

0.035

0.029

null

0.076

0.078

null

1.241

null

has coordinates,has Fobs

Hidouri, Mourad; Lajmi, Besma; Ben Amara, Mongi The iron phosphate NaZnFe~2~(PO~4~)~3~ Acta Crystallographica Section C 58(11) (2002) i147-i148

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/30/2013035.cif $ #-------------------------------------------------------------------...

2,013,036

25.7758

0.0013

25.7758

0.0013

8.7624

0.0006

90

null

90

null

120

null

5,041.7

0.5

293

null

2

R -3 c :H

-R 3 2"c

167

henicosamagnesium pentacosazinc

- Mg21 Zn25 -

- Mg126 Zn150 -

6

0.166667

IZ1025

Černý, Radovan; Renaudin, Guillaume

The intermetallic compound Mg~21~Zn~25~

Acta Crystallographica Section C

2,002

58

11

i154

i155

10.1107/S0108270102018103

0.71073

MoKα

null

0.032

null

0.076

null

0.958

null

has coordinates,has Fobs

Černý, Radovan; Renaudin, Guillaume The intermetallic compound Mg~21~Zn~25~ Acta Crystallographica Section C 58(11) (2002) i154-i155

176,432

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176432 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/30/2013036.cif $ #-------------------------------------------------------------------...

2,013,037

5.2863

0.0004

5.3603

0.0004

7.5025

0.0006

90

null

90.005

0.002

90

null

212.59

0.03

293

null

295

1

null

4

P 1 21/n 1

-P 2yn

14

lithium sodium aluminium fluoride

lithium disodium aluminium hexafluoride

- Al F6 Li Na2 -

- Al2 F12 Li2 Na4 -

2

0.5

IZ1026

Kirik, Sergei D.; Zaitseva, Julia N.; Yakimov, Igor S.; Golovnev, Nikolay N.

LiNa~2~AlF~6~: a powder structure solution

Acta Crystallographica Section C

2,002

58

11

i159

i160

10.1107/S0108270102018462

1.5418

CuKα

null

1.85

null

has coordinates

Kirik, Sergei D.; Zaitseva, Julia N.; Yakimov, Igor S.; Golovnev, Nikolay N. LiNa~2~AlF~6~: a powder structure solution Acta Crystallographica Section C 58(11) (2002) i159-i160

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/30/2013037.cif $ #-------------------------------------------------------------------...

2,013,038

7.22

0.002

12.728

0.002

32.21

0.006

90

null

90

null

90

null

2,960

1.1

293

2

293

2

null

3

P 21 21 21

P 2ac 2ab

19

2'3'-dehydrosalannol

methyl (2aS,3R,5R,5aS,6S,6aS,8R,9aS,10aR,10bR,10cS)]- 8-(3-furyl)-2a,4,5,5a,6,6a,8,9,9a,10a,10b,10c-dodecahydro-3-hydroxy- 2a,5a,6a,7-tetramethyl-5-(3-methylbut-2-enoyloxy)-2H,3H- cyclopenta[4',5']furo[2',3':6,5]benzo[cd]isobenzofuran-6-acetate

- C32 H42 O8 -

- C128 H168 O32 -

4

1

LN1144

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

2',3'-Dehydrosalannol

Acta Crystallographica Section C

2,002

58

11

o681

o682

10.1107/S010827010201747X

1.54178

CuKα

0.091

0.045

null

0.116

0.151

null

1.024

null

has coordinates,has Fobs

Malathi, R; Rajan, S. S.; Gopalakrishnan, Geetha; Suresh, G. 2',3'-Dehydrosalannol Acta Crystallographica Section C 58(11) (2002) o681-o682

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/30/2013038.cif $ #-------------------------------------------------------------------...

2,013,039

25.6945

0.0015

16.0188

0.0011

7.975

0.0004

90

null

90

null

90

null

3,282.5

0.3

100

2

100

2

null

3

P c a 21

P 2c -2ac

29

(±)-6-tert-butyl-8-hydroxymethyl-2-phenyl-4H-benzo-1,3-dioxin

- C19 H22 O3 -

- C152 H176 O24 -

8

2

LN1148

Masci, Bernardo; Levi Mortera, Stefano; Varrone, Maurizio; Thuéry, Pierre

(±)-6-tert-Butyl-8-hydroxymethyl-2-phenyl-4H-1,3-benzodioxin and 2,2,2',2',6,6'-hexamethyl-8,8'-methylenebis(4H-1,3-benzodioxin)

Acta Crystallographica Section C

2,002

58

11

o649

o651

10.1107/S0108270102017481

0.71073

MoKα

0.08

0.051

null

0.095

0.107

null

1.088

null

has coordinates,has Fobs

Masci, Bernardo; Levi Mortera, Stefano; Varrone, Maurizio; Thuéry, Pierre (±)-6-tert-Butyl-8-hydroxymethyl-2-phenyl-4H-1,3-benzodioxin and 2,2,2',2',6,6'-hexamethyl-8,8'-methylenebis(4H-1,3-benzodioxin) Acta Crystallographica Section C 58(11) (2002) o649-o651

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/30/2013039.cif $ #-------------------------------------------------------------------...

2,013,040

20.5349

0.001

20.5349

0.001

9.3356

0.0005

90

null

90

null

90

null

3,936.7

0.3

100

2

100

2

null

3

I -4

82

2,2,2',2',6,6'-hexamethyl-8,8'-methylenebis(4H-benzo-1,3-dioxin)

- C23 H28 O4 -

- C184 H224 O32 -

8

1

LN1148

Masci, Bernardo; Levi Mortera, Stefano; Varrone, Maurizio; Thuéry, Pierre

(±)-6-tert-Butyl-8-hydroxymethyl-2-phenyl-4H-1,3-benzodioxin and 2,2,2',2',6,6'-hexamethyl-8,8'-methylenebis(4H-1,3-benzodioxin)

Acta Crystallographica Section C

2,002

58

11

o649

o651

10.1107/S0108270102017481

0.71073

MoKα

0.063

0.044

null

0.089

0.097

null

1.064

null

has coordinates,has Fobs

Masci, Bernardo; Levi Mortera, Stefano; Varrone, Maurizio; Thuéry, Pierre (±)-6-tert-Butyl-8-hydroxymethyl-2-phenyl-4H-1,3-benzodioxin and 2,2,2',2',6,6'-hexamethyl-8,8'-methylenebis(4H-1,3-benzodioxin) Acta Crystallographica Section C 58(11) (2002) o649-o651

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/30/2013040.cif $ #-------------------------------------------------------------------...

2,013,041

9.352

0.0005

9.7671

0.0005

11.8264

0.0006

99.489

0.001

107.504

0.001

91.441

0.001

1,012.92

0.09

213

2

213

2

null

4

P -1

-P 1

2

Hexamethylenetetraamine–4-nitrocatechol–water (1/2/1)

- C18 H24 N6 O9 -

- C36 H48 N12 O18 -

2

1

LN1149

Chantrapromma, Suchada; Usman, Anwar; Fun, Hoong-Kun; Bo-Long Poh; Chatchanok Karalai

Hexamethylenetetramine–4-nitrocatechol–water (1/2/1)

Acta Crystallographica Section C

2,002

58

11

o675

o677

10.1107/S0108270102017559

0.71073

MoKα

0.0459

0.0398

null

0.1033

0.1085

null

1.055

null

has coordinates,has Fobs

Chantrapromma, Suchada; Usman, Anwar; Fun, Hoong-Kun; Bo-Long Poh; Chatchanok Karalai Hexamethylenetetramine–4-nitrocatechol–water (1/2/1) Acta Crystallographica Section C 58(11) (2002) o675-o677

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/30/2013041.cif $ #-------------------------------------------------------------------...

2,013,042

8.9102

0.0004

17.1911

0.001

10.4861

0.001

90

null

105.859

0.008

90

null

1,545.1

0.2

293

2

293

2

null

4

P 1 21/c 1

-P 2ybc

14

ethyl 4-acetyl-5-methyl-3-phenyl-1H-pyrrole-2-carboxylate monohydrate

- C16 H19 N O4 -

- C64 H76 N4 O16 -

4

1

LN1152

Ramos Silva, Manuela; Matos Beja, Ana; Paixão, Jose Antonio; Sobral, Abilio J. F. N.; Lopes, Susana H.; Rocha Gonsalves, A. M. d'A.

Hydrogen-bonding and C—H···π interactions in ethyl 4-acetyl-5-methyl-3-phenyl-1H-pyrrole-2-carboxylate monohydrate

Acta Crystallographica Section C

2,002

58

11

o685

o687

10.1107/S0108270102018255

1.5418

CuKα

0.045

0.04

null

0.105

0.11

null

1.046

null

has coordinates,has Fobs

Ramos Silva, Manuela; Matos Beja, Ana; Paixão, Jose Antonio; Sobral, Abilio J. F. N.; Lopes, Susana H.; Rocha Gonsalves, A. M. d'A. Hydrogen-bonding and C—H···π interactions in ethyl 4-acetyl-5-methyl-3-phenyl-1H-pyrrole-2-carboxylate monohydrate Acta Crystallographica Section C 58(11) (2002) o685-o687

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/30/2013042.cif $ #-------------------------------------------------------------------...

2,013,043

12.955

0.002

13.293

0.003

16.202

0.003

65.03

0.02

81.91

0.02

83.73

0.02

2,500.3

0.9

200

2

298

2

null

5

P -1

-P 1

2

aquamagnesium phthalocyanine

Aqua(phthalocyaninato)magnesium

- C32 H18 Mg N8 O -

- C128 H72 Mg4 N32 O4 -

4

2

NA1580

Janczak, Jan; Idemori, Ynara Marina

Aqua(phthalocyaninato)magnesium

Acta Crystallographica Section C

2,002

58

11

m549

m550

10.1107/S0108270102018474

0.71073

MoKα

0.0755

0.049

null

0.0903

0.0985

null

1.043

null

has coordinates,has Fobs

Janczak, Jan; Idemori, Ynara Marina Aqua(phthalocyaninato)magnesium Acta Crystallographica Section C 58(11) (2002) m549-m550

176,435

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/30/2013043.cif $ #-------------------------------------------------------------------...

2,013,044

22.3862

0.0008

24.7393

0.0008

8.323

0.0003

90

null

91.624

0.001

90

null

4,607.6

0.3

293

2

293

2

null

7

C 1 2/m 1

-C 2y

12

trans-{CrBr~2~(Me~2~tn)~2~]Br.0.5HClO~4~.3H~2~O

trans-Dibromobis(2,2-dimethyl-1,3-diaminopropane)chromium(III) Bromide Hemi(hydrogen perchlorate) Trihydrate

- C20 H69 Br6 Cl Cr2 N8 O10 -

- C10 H34.5 Br3 Cl0.5 Cr N4 O5 -

- C80 H276 Br24 Cl4 Cr8 N32 O40 -

8

1

OB1082

Choi, Jong-Ha; Suzuki, Takayoshi; Kaizaki, Sumio

Bis[trans-dibromo(2,2-dimethylpropane-1,3-diamine-κ^2^N,N')chromium(III)] dibromide hydrogen perchlorate hexahydrate

Acta Crystallographica Section C

2,002

58

11

m539

m541

10.1107/S0108270102018231

0.71069

MoKα

0.0584

0.0417

null

0.1005

0.1076

null

1.047

null

has coordinates,has Fobs

Choi, Jong-Ha; Suzuki, Takayoshi; Kaizaki, Sumio Bis[trans-dibromo(2,2-dimethylpropane-1,3-diamine-κ^2^N,N')chromium(III)] dibromide hydrogen perchlorate hexahydrate Acta Crystallographica Section C 58(11) (2002) m539-m541

176,435

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/30/2013044.cif $ #-------------------------------------------------------------------...

2,013,045

9.0068

0.0007

11.2034

0.0008

15.875

0.0012

103.753

0.002

90.361

0.002

90.392

0.001

1,555.9

0.2

293

2

293

2

null

4

P -1

-P 1

2

Di-2-pyridyl ketone N^4^,N^4^-(butane-1,4-diyl)thiosemicarbazone

- C16 H17 N5 S -

- C64 H68 N20 S4 -

4

2

OB1085

Usman, Anwar; Razak, Ibrahim Abdul; Chantrapromma, Suchada; Fun, Hoong-Kun; Philip, Varughese; Sreekanth, A.; Prathapachandra Kurup, M. R.

Di-2-pyridyl ketone N^4^,N^4^-(butane-1,4-diyl)thiosemicarbazone

Acta Crystallographica Section C

2,002

58

11

o652

o654

10.1107/S0108270102017699

0.71073

MoKα

0.142

0.076

null

0.143

0.17

null

1.015

null

has coordinates,has disorder,has Fobs

Usman, Anwar; Razak, Ibrahim Abdul; Chantrapromma, Suchada; Fun, Hoong-Kun; Philip, Varughese; Sreekanth, A.; Prathapachandra Kurup, M. R. Di-2-pyridyl ketone N^4^,N^4^-(butane-1,4-diyl)thiosemicarbazone Acta Crystallographica Section C 58(11) (2002) o652-o654

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/30/2013045.cif $ #-------------------------------------------------------------------...

2,013,046

7.33

0.003

10.819

0.004

22.453

0.008

90

null

90

null

90

null

1,780.6

1.2

293

2

293

2

null

5

P 21 21 21

P 2ac 2ab

19

(R)-di-μ-chloro-bis{[2-(1-aminoethyl)phenyl-κ^2^C^1^,N]palladium(II)}

- C16 H20 Cl2 N2 Pd2 -

- C64 H80 Cl8 N8 Pd8 -

4

1

SK1575

Calmuschi, Beatrice; Englert, Ulli

(R)-Di-μ-acetato-κ^2^O:O'-bis{[2-(1-aminoethyl)phenyl-κ^2^C^1^,N]palladium(II)}, (R)-di-μ-chloro-bis{[2-(1-aminoethyl)phenyl-κ^2^C^1^,N]palladium(II)} and [SP-4-4]-(R)-[2-(1-aminoethyl)phenyl-κ^2^C^1^,N]chloro(pyridine-κN)palladi...

Acta Crystallographica Section C

2,002

58

11

m545

m548

10.1107/S0108270102018218

0.71073

MoKα

0.06

0.049

null

0.105

0.109

null

1.073

null

has coordinates,has Fobs

Calmuschi, Beatrice; Englert, Ulli (R)-Di-μ-acetato-κ^2^O:O'-bis{[2-(1-aminoethyl)phenyl-κ^2^C^1^,N]palladium(II)}, (R)-di-μ-chloro-bis{[2-(1-aminoethyl)phenyl-κ^2^C^1^,N]palladium(II)} and [SP-4-4]-(R)-[2-(1-aminoethyl)phenyl-κ^2^C^1^,N</i...

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/30/2013046.cif $ #-------------------------------------------------------------------...

2,013,047

18.511

0.005

18.511

0.005

15.698

0.006

90

null

90

null

90

null

5,379

3

293

2

293

2

null

5

I 41

I 4bw

80

[SP-4-4]-(R)-[2-(1-aminoethyl)phenyl-κ^2^C^1^,N]chloro(pyridine- κN)palladium(II)

- C13 H15 Cl N2 Pd -

- C208 H240 Cl16 N32 Pd16 -

16

2

SK1575

Calmuschi, Beatrice; Englert, Ulli

(R)-Di-μ-acetato-κ^2^O:O'-bis{[2-(1-aminoethyl)phenyl-κ^2^C^1^,N]palladium(II)}, (R)-di-μ-chloro-bis{[2-(1-aminoethyl)phenyl-κ^2^C^1^,N]palladium(II)} and [SP-4-4]-(R)-[2-(1-aminoethyl)phenyl-κ^2^C^1^,N]chloro(pyridine-κN)palladi...

Acta Crystallographica Section C

2,002

58

11

m545

m548

10.1107/S0108270102018218

0.71073

MoKα

0.071

0.046

null

0.1

0.11

null

1.049

null

has coordinates,has Fobs

Calmuschi, Beatrice; Englert, Ulli (R)-Di-μ-acetato-κ^2^O:O'-bis{[2-(1-aminoethyl)phenyl-κ^2^C^1^,N]palladium(II)}, (R)-di-μ-chloro-bis{[2-(1-aminoethyl)phenyl-κ^2^C^1^,N]palladium(II)} and [SP-4-4]-(R)-[2-(1-aminoethyl)phenyl-κ^2^C^1^,N</i...

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/30/2013047.cif $ #-------------------------------------------------------------------...

2,013,048

10.423

0.004

13.398

0.005

15.861

0.005

90

null

93.429

0.009

90

null

2,211

1.4

295

2

295

2

null

5

P 1 21 1

P 2yb

4

(R)-di-μ-acetato-κ^2^O:O'-bis{[2-(1-aminoethyl)phenyl- κ^2^C^1^,N]palladium(II)}

- C20 H26 N2 O4 Pd2 -

- C80 H104 N8 O16 Pd8 -

4

2

SK1575

Calmuschi, Beatrice; Englert, Ulli

(R)-Di-μ-acetato-κ^2^O:O'-bis{[2-(1-aminoethyl)phenyl-κ^2^C^1^,N]palladium(II)}, (R)-di-μ-chloro-bis{[2-(1-aminoethyl)phenyl-κ^2^C^1^,N]palladium(II)} and [SP-4-4]-(R)-[2-(1-aminoethyl)phenyl-κ^2^C^1^,N]chloro(pyridine-κN)palladi...

Acta Crystallographica Section C

2,002

58

11

m545

m548

10.1107/S0108270102018218

0.71073

MoKα

0.105

0.065

null

0.155

0.177

null

1.011

null

has coordinates,has Fobs

Calmuschi, Beatrice; Englert, Ulli (R)-Di-μ-acetato-κ^2^O:O'-bis{[2-(1-aminoethyl)phenyl-κ^2^C^1^,N]palladium(II)}, (R)-di-μ-chloro-bis{[2-(1-aminoethyl)phenyl-κ^2^C^1^,N]palladium(II)} and [SP-4-4]-(R)-[2-(1-aminoethyl)phenyl-κ^2^C^1^,N</i...

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/30/2013048.cif $ #-------------------------------------------------------------------...

2,013,049

6.7676

0.0006

4.1477

0.0003

5.0206

0.0005

90

null

108.205

0.007

90

null

133.87

0.02

30

null

295

null

4

P 1 21 1

P 2yb

4

HCFC 31

Chlorofluoromethane

- C H2 Cl F -

- C2 H4 Cl2 F2 -

2

1

SK1582

Binbrek, Omar S.; Torrie, Bruce H.; Swainson, Ian P.

Neutron powder-profile study of chlorofluoromethane

Acta Crystallographica Section C

2,002

58

11

o672

o674

10.1107/S0108270102017328

neutron

1.3279

neutron

null

1.71

null

has coordinates

Binbrek, Omar S.; Torrie, Bruce H.; Swainson, Ian P. Neutron powder-profile study of chlorofluoromethane Acta Crystallographica Section C 58(11) (2002) o672-o674

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/30/2013049.cif $ #-------------------------------------------------------------------...

2,013,050

5.902

0.001

5.902

0.001

32.78

0.01

90

null

90

null

120

null

988.9

0.4

293

2

293

2

null

5

P 63/m m c

-P 6c 2c

194

W hexaferrite

strontium zinc cobalt hexadecairon oxide

- Co Fe16 O27 Sr Zn -

- Co0.99999 Fe16 O27 Sr Zn -

- Co1.99998 Fe32 O54 Sr2 Zn2 -

2

0.083333

SK1585

Graetsch, Heribert A.

Zn location in the W-type hexagonal ferrite SrZnCoFe~16~O~27~

Acta Crystallographica Section C

2,002

58

11

i152

i153

10.1107/S0108270102017316

0.71073

MoKα

0.026

0.023

null

0.055

0.056

null

1.3

null

has coordinates,has Fobs

Graetsch, Heribert A. Zn location in the W-type hexagonal ferrite SrZnCoFe~16~O~27~ Acta Crystallographica Section C 58(11) (2002) i152-i153

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/30/2013050.cif $ #-------------------------------------------------------------------...

2,013,051

6.9588

0.0004

7.1984

0.0004

17.4239

0.0011

101.181

0.002

98.559

0.002

95.36

0.004

839.95

0.09

120

1

120

1

null

4

P 1

1

2-Amino-4,6-dimethoxy-5-nitrosopyrimidine–water (4/3)

- C24 H38 N16 O15 -

1

SK1591

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

2-Amino-4,6-dimethoxy-5-nitrosopyrimidine–water (4/3): seven independent molecular components are linked into a three-dimensional framework by six three-centre and eight two-centre hydrogen bonds

Acta Crystallographica Section C

2,002

58

11

o655

o657

10.1107/S0108270102017444

0.71073

MoKα

0.0996

0.0533

null

0.1149

0.1395

null

1.004

null

has coordinates,has Fobs

Glidewell, Christopher; Low, John N.; Marchal, Antonio; Melguizo, Manuel; Quesada, Antonio 2-Amino-4,6-dimethoxy-5-nitrosopyrimidine–water (4/3): seven independent molecular components are linked into a three-dimensional framework by six three-centre and eight two-centre hydrogen bonds Acta Crystallographica Section C ...

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/30/2013051.cif $ #-------------------------------------------------------------------...

2,013,052

4.9598

0.0006

12.239

0.002

12.015

0.008

90

null

106.67

0.07

90

null

698.7

0.5

293

2

293

2

null

5

P 1 21/c 1

-P 2ybc

14

glycine trifluoroacetate

Glycinium trifluoroacetate

- C4 H6 F3 N O4 -

- C16 H24 F12 N4 O16 -

4

1

SK1592

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

Glycinium trifluoroacetate

Acta Crystallographica Section C

2,002

58

11

o658

o660

10.1107/S010827010201778X

0.71073

MoKα

0.044

0.03

null

0.083

0.092

null

1.018

null

has coordinates,has Fobs

Rodrigues, V. H.; Paixão, J. A.; Costa, M. M. R. R.; Matos Beja, A. Glycinium trifluoroacetate Acta Crystallographica Section C 58(11) (2002) o658-o660

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/30/2013052.cif $ #-------------------------------------------------------------------...

2,013,053

9.0595

0.0005

9.8517

0.0005

20.8019

0.0012

86.528

0.003

82.042

0.003

74.826

0.003

1,774.04

0.17

100

2

100

2

null

5

P -1

-P 1

2

Dihydro[2.2.2]cryptand (2+) di-μ-hydroxo-bis[bis(nitrato-κ^2^O,O')dioxouranium(VI)] monohydrate

- C18 H42 N6 O25 U2 -

- C36 H84 N12 O50 U4 -

2

1

SQ1000

Thuéry, Pierre; Masci, Bernardo

Dihydro[2.2.2]cryptand di-μ-hydroxo-bis[bis(nitrato-κ^2^O,O')dioxouranium(VI)] monohydrate

Acta Crystallographica Section C

2,002

58

11

m556

m558

10.1107/S0108270102018759

0.71073

MoKα

0.041

0.028

null

0.063

0.068

null

1.042

null

has coordinates,has Fobs

Thuéry, Pierre; Masci, Bernardo Dihydro[2.2.2]cryptand di-μ-hydroxo-bis[bis(nitrato-κ^2^O,O')dioxouranium(VI)] monohydrate Acta Crystallographica Section C 58(11) (2002) m556-m558

301,798

2025-08-19

6:42:13

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2,013,054

13.0914

0.0008

20.5067

0.0012

12.7721

0.0006

105.519

0.001

91.231

0.002

82.789

0.002

3,277.4

0.3

296

2

296

2

null

5

P -1

-P 1

2

Decatungstodysprosate

Nonasodium decatungstodysprosate pentatriacontahydrate

- Dy H70 Na9 O71 W10 -

- Dy Na9 O71 W10 -

- Dy2 Na18 O142 W20 -

2

1

TA1388

Sawada, Keiju; Yamase, Toshihiro

Nonasodium decatungstodysprosate pentatriacontahydrate

Acta Crystallographica Section C

2,002

58

11

i149

i151

10.1107/S0108270102016773

0.71069

MoKα

0.046

0.036

null

0.088

0.104

null

1.176

null

has coordinates,has Fobs

Sawada, Keiju; Yamase, Toshihiro Nonasodium decatungstodysprosate pentatriacontahydrate Acta Crystallographica Section C 58(11) (2002) i149-i151

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/30/2013054.cif $ #-------------------------------------------------------------------...

2,013,055

16.986

0.003

7.441

0.002

13.488

0.005

90

null

104.009

0.006

90

null

1,654.1

0.8

153

2

153

2

null

7

P 1 21/c 1

-P 2ybc

14

Dichloro-{N-[3-(η^5^-cyclopentadienyl)propyl]-4-toluenesulfonamido- κ^2^N,O}titanium(IV)

- C15 H17 Cl2 N O2 S Ti -

- C60 H68 Cl8 N4 O8 S4 Ti4 -

4

1

TA1393

Lensink, Cornelis; Gainsford, Graeme J.; Brandsma, Menno J. R.

Dichloro{N-[3-(η^5^-cyclopentadienyl)propyl]-4-toluenesulfonamido-κ^2^N,O}titanium(IV)

Acta Crystallographica Section C

2,002

58

11

m529

m530

10.1107/S0108270102016785

0.71073

MoKα

0.028

0.024

null

0.065

0.067

null

1.06

null

has coordinates,has Fobs

Lensink, Cornelis; Gainsford, Graeme J.; Brandsma, Menno J. R. Dichloro{N-[3-(η^5^-cyclopentadienyl)propyl]-4-toluenesulfonamido-κ^2^N,O}titanium(IV) Acta Crystallographica Section C 58(11) (2002) m529-m530

176,760

2020-10-21

18:00:00

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2,013,056

7.99482

0.00003

8.84525

0.00004

8.35318

0.00004

90

null

90

null

90

null

590.705

0.004

295

null

295

null

4

P 21 21 21

P 2ac 2ab

19

Lead tartrate

- C4 H4 O6 Pb -

- C16 H16 O24 Pb4 -

4

1

AV1119

De Ridder, Dirk J. A.; Goubitz, Kees; Sonneveld, Ed J.; Molleman, Wim; Schenk, Henk

Lead tartrate from X-ray powder diffraction data

Acta Crystallographica Section C

2,002

58

12

m596

m598

10.1107/S0108270102019637

1.54056

CuKα

null

1.69

null

has coordinates,has Fobs

De Ridder, Dirk J. A.; Goubitz, Kees; Sonneveld, Ed J.; Molleman, Wim; Schenk, Henk Lead tartrate from X-ray powder diffraction data Acta Crystallographica Section C 58(12) (2002) m596-m598

176,432

2020-10-21

18:00:00

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2,013,057

18.043

0.003

7.1948

0.0013

18.048

0.003

90

null

118.205

0.013

90

null

2,064.7

0.7

293

2

293

2

null

5

P 1 21/n 1

-P 2yn

14

Dichloro[N,N-dimethyl-1-(1-methyl-1H-tetrazol-5-yl-κN^4^)methanamine- κN]copper(II)

- C5 H11 Cl2 Cu N5 -

- C40 H88 Cl16 Cu8 N40 -

8

2

AV1123

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

Dichloro[N,N-dimethyl-1-(1-methyl-1H-tetrazol-5-yl-κN^4^)methanamine-κN]copper(II)

Acta Crystallographica Section C

2,002

58

12

m563

m564

10.1107/S0108270102019431

0.71069

MoKα

0.059

0.043

null

0.115

0.122

null

1.194

null

has coordinates,has Fobs

Ivashkevich, Dmitry O.; Lyakhov, Alexander S.; Voitekhovich, Sergei V.; Gaponik, Pavel N. Dichloro[N,N-dimethyl-1-(1-methyl-1H-tetrazol-5-yl-κN^4^)methanamine-κN]copper(II) Acta Crystallographica Section C 58(12) (2002) m563-m564

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/30/2013057.cif $ #-------------------------------------------------------------------...

2,013,058

8.5542

0.001

32.027

0.003

12.391

0.0007

90

null

104.493

0.003

90

null

3,286.7

0.5

293

2

293

2

null

4

P 1 21/c 1

-P 2ybc

14

3-cyano-2-ethoxy-4,6-diphenylpyridine

- C20 H16 N2 O -

- C19.996 H16 N2 O -

- C159.968 H128 N16 O8 -

8

2

DE1195

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

C—H···N and C—H···π interactions in 2-ethoxy-4,6-diphenylpyridine-3-carbonitrile

Acta Crystallographica Section C

2,002

58

12

o697

o699

10.1107/S0108270102018383

1.5418

CuKα

0.099

0.051

null

0.129

0.16

null

1.019

null

has coordinates,has disorder,has Fobs

Patel, Urmila H.; Dave, Chaitanya G.; Jotani, Mukesh M.; Shah, Hetal C. C—H···N and C—H···π interactions in 2-ethoxy-4,6-diphenylpyridine-3-carbonitrile Acta Crystallographica Section C 58(12) (2002) o697-o699

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/30/2013058.cif $ #-------------------------------------------------------------------...

2,013,059

11.67

0.003

6.5073

0.0016

12.693

0.003

90

null

107.975

0.018

90

null

916.9

0.4

293

2

293

2

null

5

P 1 21/n 1

-P 2yn

14

Ammonium 4-nitrophenylarsonate

- C6 H9 As N2 O5 -

- C24 H36 As4 N8 O20 -

4

1

DE1196

Yang, Jin; Ma, Jian-Fang; Liu, Ying-Chun; Zheng, Guo-Li; Li, Li; Liu, Jing-Fu; Hu, Ning-Hai; Jia, Heng-Qing

Ammonium 4-nitrophenylarsonate

Acta Crystallographica Section C

2,002

58

12

m613

m614

10.1107/S0108270102020462

0.71073

MoKα

0.039

0.03

null

0.075

0.077

null

0.979

null

has coordinates,has Fobs

Yang, Jin; Ma, Jian-Fang; Liu, Ying-Chun; Zheng, Guo-Li; Li, Li; Liu, Jing-Fu; Hu, Ning-Hai; Jia, Heng-Qing Ammonium 4-nitrophenylarsonate Acta Crystallographica Section C 58(12) (2002) m613-m614

301,798

2025-08-19

6:42:13

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/30/2013059.cif $ #-------------------------------------------------------------------...