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

2,007,245

33.354

0.007

10.26

0.002

17.4

0.004

90

null

90

null

90

null

5,954

2

293

2

293

2

null

6

P n a 21

P 2c -2n

33

1-Phenyl-3,3-bis(triethylphosphine)-1,2-dicarba-3-platina-closo-dodecaborane

- C20.5 H46 B9 Cl P2 Pt -

- C164 H368 B72 Cl8 P16 Pt8 -

8

2

MU1341

Thomas, Rhodri Ll.; Welch, Alan J.; Kyd, Gwenda O.

1-Phenyl-3,3-bis(triethylphosphine)-1,2-dicarba-3-platina-closo-dodecaborane 0.5-Dichloromethane Solvate

Acta Crystallographica Section C

1,998

54

5

588

591

10.1107/S0108270197017204

0.71073

MoKα

0.051

0.033

null

0.08

0.075

null

1.063

1.088

null

has coordinates,has Fobs

Thomas, Rhodri Ll.; Welch, Alan J.; Kyd, Gwenda O. 1-Phenyl-3,3-bis(triethylphosphine)-1,2-dicarba-3-platina-closo-dodecaborane 0.5-Dichloromethane Solvate Acta Crystallographica Section C 54(5) (1998) 588-591

176,435

2020-10-21

18:00:00

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2,007,246

8.873

0.001

12.921

0.001

24.812

0.003

90

null

100.16

0.01

90

null

2,800

0.5

293

2

293

2

null

4

P 1 21/n 1

-P 2yn

14

10-Chloro-6,7-dihydro-5H benzo[6,7]cyclohepta[1,2-b]quinoline

- C18 H14 Cl N -

- C144 H112 Cl8 N8 -

8

2

MU1348

Jayanta Kumar Ray; Tapan Kumar Mahato; Kandasamy Chinnakali; Ibrahim Abdul Razak; Hoong-Kun Fun

10-Chloro-6,7-dihydro-5H-benzo[6,7]cyclohepta[1,2-b]quinoline and 10-Methyl-6,7-dihydro-5H-benzo[6,7]cyclohepta[1,2-b]quinoline

Acta Crystallographica Section C

1,998

54

5

641

643

10.1107/S0108270197017654

0.71073

MoKα

0.114

0.0433

null

0.1031

0.0871

null

0.798

1.036

null

has coordinates

Jayanta Kumar Ray; Tapan Kumar Mahato; Kandasamy Chinnakali; Ibrahim Abdul Razak; Hoong-Kun Fun 10-Chloro-6,7-dihydro-5H-benzo[6,7]cyclohepta[1,2-b]quinoline and 10-Methyl-6,7-dihydro-5H-benzo[6,7]cyclohepta[1,2-b]quinoline Acta Crystallographica Section C 54(5) (1998) 641-643

301,791

2025-08-18

23:15:31

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2,007,247

8.972

0.005

12.973

0.004

24.699

0.009

90

null

98.41

0.03

90

null

2,844

2

293

2

293

2

null

3

P 1 21/c 1

-P 2ybc

14

10-Methyl-6,7-dihydro-5H[benzo][6,7]cyclohepta[1,2-b]qinoline

- C19 H17 N -

- C152 H136 N8 -

8

2

MU1348

Jayanta Kumar Ray; Tapan Kumar Mahato; Kandasamy Chinnakali; Ibrahim Abdul Razak; Hoong-Kun Fun

10-Chloro-6,7-dihydro-5H-benzo[6,7]cyclohepta[1,2-b]quinoline and 10-Methyl-6,7-dihydro-5H-benzo[6,7]cyclohepta[1,2-b]quinoline

Acta Crystallographica Section C

1,998

54

5

641

643

10.1107/S0108270197017654

0.71073

MoKα

0.167

0.0537

null

0.1326

0.1006

null

0.81

1.077

null

has coordinates

Jayanta Kumar Ray; Tapan Kumar Mahato; Kandasamy Chinnakali; Ibrahim Abdul Razak; Hoong-Kun Fun 10-Chloro-6,7-dihydro-5H-benzo[6,7]cyclohepta[1,2-b]quinoline and 10-Methyl-6,7-dihydro-5H-benzo[6,7]cyclohepta[1,2-b]quinoline Acta Crystallographica Section C 54(5) (1998) 641-643

301,791

2025-08-18

23:15:31

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2,230,051

7.654

0.002

11.253

0.003

16.126

0.004

90

null

99.634

0.006

90

null

1,369.4

0.6

297

2

297

2

null

5

P 1 21/c 1

-P 2ybc

14

Poly[[diaqua(μ~2~-1,4-dioxane-κ^2^O:O')(μ~2~-2,3,5,6- tetrafluorobenzene-1,4-dicarboxylato-κ^2^O^1^:O^4^)copper(II)] 1,4-dioxane disolvate dihydrate]

- C20 H32 Cu F4 O14 -

- C40 H64 Cu2 F8 O28 -

2

0.5

JJ2078

Yu, Jing; Zhang, Yi-Feng; Sun, Fu-An; Chen, Qun

Poly[[diaqua(μ~2~-1,4-dioxane-κ^2^O:O')(μ~2~-2,3,5,6-tetrafluorobenzene-1,4-dicarboxylato-κ^2^O^1^:O^4^)copper(II)] 1,4-dioxane disolvate dihydrate]

Acta Crystallographica Section E

2,011

67

5

m527

m528

10.1107/S1600536811009755

0.71073

MoKα

0.0662

0.0518

null

0.164

0.1823

null

1.07

null

has coordinates,has Fobs

Yu, Jing; Zhang, Yi-Feng; Sun, Fu-An; Chen, Qun Poly[[diaqua(μ~2~-1,4-dioxane-κ^2^O:O')(μ~2~-2,3,5,6-tetrafluorobenzene-1,4-dicarboxylato-κ^2^O^1^:O^4^)copper(II)] 1,4-dioxane disolvate dihydrate] Acta Crystallographica Section E 67(5) (2011) m527-m528

176,798

2020-10-21

18:00:00

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2,007,248

9.965

0.002

21.188

0.004

16.792

0.003

90

null

93.1

0.03

90

null

3,540.2

1.2

293

2

293

2

null

5

P 1 21/n 1

-P 2yn

14

- C40 H20 I2 N10 Zr -

- C160 H80 I8 N40 Zr4 -

4

1

MU1357

Kubiak, Ryszard; Ejsmont, Krzysztof

(1,2-Benzenedicarbonitrile-κN)diiodo(phthalocyaninato-κ^4^N)zirconium(IV)

Acta Crystallographica Section C

1,998

54

5

572

574

10.1107/S0108270197017691

0.71073

MoKα

0.1228

0.0467

null

0.0889

0.0741

null

1.018

1.151

null

has coordinates

Kubiak, Ryszard; Ejsmont, Krzysztof (1,2-Benzenedicarbonitrile-κN)diiodo(phthalocyaninato-κ^4^N)zirconium(IV) Acta Crystallographica Section C 54(5) (1998) 572-574

176,435

2020-10-21

18:00:00

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2,007,249

17.786

0.002

14.504

0.001

7.437

0.003

90

null

90

null

90

null

1,918.5

0.8

295

0.1

null

6

P b c a

-P 2ac 2ab

61

bis{μ-chloro-[chloro-2-ammoniobenzenethiolato]mercury(II)}

- C12 H14 Cl4 Hg2 N2 S2 -

- C48 H56 Cl16 Hg8 N8 S8 -

4

0.5

MU1360

Davidović, Naka; Matković-Čalogović, Dubravka; Popović, Zora; Vedrina-Dragojević, Irena

Di-μ-chloro-bis[(2-ammoniobenzenethiolato-S)chloromercury(II)]

Acta Crystallographica Section C

1,998

54

5

574

576

10.1107/S0108270197016788

0.71073

MoKα

0.0778

0.0368

null

0.0772

null

1.038

null

has coordinates

Davidović, Naka; Matković-Čalogović, Dubravka; Popović, Zora; Vedrina-Dragojević, Irena Di-μ-chloro-bis[(2-ammoniobenzenethiolato-S)chloromercury(II)] Acta Crystallographica Section C 54(5) (1998) 574-576

207,948

2020-10-21

18:00:00

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2,007,250

7.8069

0.0012

15.768

0.004

16.398

0.003

90

null

90

null

90

null

2,018.6

0.7

173

2

173

2

null

5

P b c a

-P 2ac 2ab

61

[3-(2-pyridyl)-1H-pyrazole]dichloropalladium(II)

- C8 H7 Cl2 N3 Pd -

- C64 H56 Cl16 N24 Pd8 -

8

1

MU1365

Ward, Michael D.; Fleming, James S.; Psillakis, Elefteria; Jeffery, John C.; McCleverty, Jon A.

[Pd(HL)Cl~2~] and [PdL~2~], where HL is 2-(3-Pyrazolyl)pyridine

Acta Crystallographica Section C

1,998

54

5

609

612

10.1107/S0108270197016399

0.71073

MoKα

0.0284

0.0236

null

0.0632

0.0619

null

1.108

1.169

null

has coordinates

Ward, Michael D.; Fleming, James S.; Psillakis, Elefteria; Jeffery, John C.; McCleverty, Jon A. [Pd(HL)Cl~2~] and [PdL~2~], where HL is 2-(3-Pyrazolyl)pyridine Acta Crystallographica Section C 54(5) (1998) 609-612

176,759

2020-10-21

18:00:00

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2,230,050

4.9018

0.0008

15.543

0.002

18.846

0.002

90

null

90

null

90

null

1,435.9

0.3

113

null

113

null

3

P 21 21 21

P 2ac 2ab

19

Methyl 3,4-bis(cyclopropylmethoxy)benzoate

- C16 H20 O4 -

- C64 H80 O16 -

4

1

JH2279

Cheng, Xian-Chao; Hou, Jing-Jing; Xie, Cheng-Zhi; Wang, Run-Ling; Xu, Wei-Ren

Methyl 3,4-bis(cyclopropylmethoxy)benzoate

Acta Crystallographica Section E

2,011

67

5

o1130

10.1107/S1600536811013158

0.71075

MoKα

null

0.0406

null

0.1135

null

1.063

null

has coordinates,has Fobs

Cheng, Xian-Chao; Hou, Jing-Jing; Xie, Cheng-Zhi; Wang, Run-Ling; Xu, Wei-Ren Methyl 3,4-bis(cyclopropylmethoxy)benzoate Acta Crystallographica Section E 67(5) (2011) o1130

301,806

2025-08-19

15:27:02

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2,007,251

11.752

0.003

5.1373

0.0008

12.288

0.002

90

null

104.62

0.02

90

null

717.8

0.3

173

2

173

2

null

4

P 1 21/n 1

-P 2yn

14

Bis[3-(2-pyridyl)pyrazolato]palladium(II)

- C16 H12 N6 Pd -

- C32 H24 N12 Pd2 -

2

0.5

MU1365

Ward, Michael D.; Fleming, James S.; Psillakis, Elefteria; Jeffery, John C.; McCleverty, Jon A.

[Pd(HL)Cl~2~] and [PdL~2~], where HL is 2-(3-Pyrazolyl)pyridine

Acta Crystallographica Section C

1,998

54

5

609

612

10.1107/S0108270197016399

0.71073

MoKα

0.0216

0.0177

null

0.0501

0.0495

null

1.043

1.152

null

has coordinates

Ward, Michael D.; Fleming, James S.; Psillakis, Elefteria; Jeffery, John C.; McCleverty, Jon A. [Pd(HL)Cl~2~] and [PdL~2~], where HL is 2-(3-Pyrazolyl)pyridine Acta Crystallographica Section C 54(5) (1998) 609-612

301,791

2025-08-18

23:15:31

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2,007,252

13.186

0.006

5.279

0.001

27.288

0.004

90

null

90

null

90

null

1,899.5

1

293

2

293

2

null

6

P n a 21

P 2c -2n

33

Diaquachlorobis(pyridinioacetato)copper(II) perchlorate

- C14 H18 Cl2 Cu N2 O10 -

- C56 H72 Cl8 Cu4 N8 O40 -

4

1

MU1368

Wu, Yu-Luan; Tong, Ye-Xiang; Chen, Xiao-Ming; Mak, Thomas C. W.

Diaquachlorobis(4-pyridinioacetate-O)copper(II) Perchlorate

Acta Crystallographica Section C

1,998

54

5

606

608

10.1107/S0108270197017216

0.71073

MoKα

0.0442

0.0346

null

0.0827

0.0773

null

1.077

1.092

null

has coordinates

Wu, Yu-Luan; Tong, Ye-Xiang; Chen, Xiao-Ming; Mak, Thomas C. W. Diaquachlorobis(4-pyridinioacetate-O)copper(II) Perchlorate Acta Crystallographica Section C 54(5) (1998) 606-608

176,759

2020-10-21

18:00:00

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2,007,253

6.081

0.001

6.957

0.001

19.707

0.004

90

null

95.46

0.03

90

null

829.9

0.3

293

2

293

2

null

5

P 1 21/c 1

-P 2ybc

14

- C7 H7 Cl N2 O2 -

- C28 H28 Cl4 N8 O8 -

4

1

MU1371

Ejsmont, Krzysztof; Kyzioł, Janusz; Daszkiewicz, Zdzisław; Bujak, Maciej

4-Chloro-N-methyl-N-nitroaniline

Acta Crystallographica Section C

1,998

54

5

672

674

10.1107/S0108270197017708

0.71073

MoKα

0.0845

0.0673

null

0.2322

0.2044

null

1.106

1.167

null

has coordinates

Ejsmont, Krzysztof; Kyzioł, Janusz; Daszkiewicz, Zdzisław; Bujak, Maciej 4-Chloro-N-methyl-N-nitroaniline Acta Crystallographica Section C 54(5) (1998) 672-674

301,791

2025-08-18

23:15:31

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2,230,049

14.526

0.004

8.957

0.003

27.126

0.008

90

null

90

null

90

null

3,529.3

1.9

293

2

293

2

null

4

P b c a

-P 2ac 2ab

61

2-{4-[(Quinolin-8-yloxy)methyl]phenyl}benzonitrile

- C23 H16 N2 O -

- C184 H128 N16 O8 -

8

1

JH2278

Wei, Bin

2-{4-[(Quinolin-8-yloxy)methyl]phenyl}benzonitrile

Acta Crystallographica Section E

2,011

67

5

o1209

10.1107/S1600536811012724

0.71073

MoKα

0.1186

0.0824

null

0.1902

0.2217

null

1.244

null

has coordinates

Wei, Bin 2-{4-[(Quinolin-8-yloxy)methyl]phenyl}benzonitrile Acta Crystallographica Section E 67(5) (2011) o1209

301,806

2025-08-19

15:27:02

#------------------------------------------------------------------------------ #$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301806 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/00/2230049.cif $ #-------------------------------------------------------------------...

2,007,254

12.206

0.005

15.259

0.003

20.718

0.008

90

null

100.51

0.03

90

null

3,794

2

293

null

293

null

4

P 1 21/c 1

-P 2ybc

14

mono methylcyclopentadienyl bis(2,6-ditertbutyl-4-methylphenoxo) ytterbium tetrafuranate

- C40 H61 O3 Yb -

- C160 H244 O12 Yb4 -

4

1

NA1292

Yao, Yingming; Shen, Qi; Sun, Jie; Xue, Feng

Bis(2,6-di-tert-butyl-4-methylphenolato-O)(η^5^-methylcyclopentadienyl)(tetrahydrofuran-O)ytterbium

Acta Crystallographica Section C

1,998

54

5

625

627

10.1107/S0108270197015205

0.71069

MoKα

null

0.029

null

0.039

null

1.34

null

has coordinates

Yao, Yingming; Shen, Qi; Sun, Jie; Xue, Feng Bis(2,6-di-tert-butyl-4-methylphenolato-O)(η^5^-methylcyclopentadienyl)(tetrahydrofuran-O)ytterbium Acta Crystallographica Section C 54(5) (1998) 625-627

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/2/00/72/2007254.cif $ #-------------------------------------------------------------------...

2,007,255

19.033

0.002

13.661

0.001

9.546

0.001

90

null

95.72

0.01

90

null

2,469.7

0.4

293

2

293

2

null

4

P 1 21/c 1

-P 2ybc

14

1,4-bis[2'hydroxy-3'-(N-ethylimino)-5'-methylbenzyl]-piperazine

- C26 H36 N4 O2 -

- C26 H34.5 N4 O2 -

- C104 H138 N16 O8 -

4

1

NA1317

R.Thirumurugan; S.Shanmuga Sundara Raj; G.Shanmugam; Hoong-Kun Fun; M.Marappan; M.Kandaswamy

1,4-Bis[3-(N-ethyliminomethyl)-2-hydroxy-5-methylbenzyl]piperazine

Acta Crystallographica Section C

1,998

54

5

644

645

10.1107/S0108270197017514

0.71073

MoKα

0.0888

0.0445

null

0.1359

0.1171

null

0.908

1.097

null

has coordinates

R.Thirumurugan; S.Shanmuga Sundara Raj; G.Shanmugam; Hoong-Kun Fun; M.Marappan; M.Kandaswamy 1,4-Bis[3-(N-ethyliminomethyl)-2-hydroxy-5-methylbenzyl]piperazine Acta Crystallographica Section C 54(5) (1998) 644-645

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/72/2007255.cif $ #-------------------------------------------------------------------...

2,007,256

9.855

0.007

28.479

0.009

6.28

0.001

90

null

90

null

90

null

1,762.5

1.4

298

null

5

P 21 21 21

P 2ac 2ab

19

L-leucine 3,4-dimethylbenzenesulfonate monohydrate

- C14 H25 N O6 S -

- C56 H100 N4 O24 S4 -

4

1

OA1024

Hasegawa, Kazuhiro; Ishikawa, Kohki; Kawaoka, Rie; Sano, Chiaki; Iitani, Kinzo; Komatsu, Hiroshi; Nagashima, Nobuya

Complexes Between L-Leucine and its Precipitants

Acta Crystallographica Section C

1,998

54

5

637

641

10.1107/S0108270197018106

1.5418

CuKα

null

0.044

null

0.044

null

2.392

null

has coordinates

Hasegawa, Kazuhiro; Ishikawa, Kohki; Kawaoka, Rie; Sano, Chiaki; Iitani, Kinzo; Komatsu, Hiroshi; Nagashima, Nobuya Complexes Between L-Leucine and its Precipitants Acta Crystallographica Section C 54(5) (1998) 637-641

301,791

2025-08-18

23:15:31

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2,007,257

6.163

0.001

10.199

0.009

14.14

0.009

90

null

94.112

0.009

90

null

886.5

1

298

null

5

P 1 21 1

null

L-leucine 2,5-dimethylbenzenesulfonate monohydrate

- C14 H25 N O6 S -

- C28 H50 N2 O12 S2 -

2

1

OA1024

Hasegawa, Kazuhiro; Ishikawa, Kohki; Kawaoka, Rie; Sano, Chiaki; Iitani, Kinzo; Komatsu, Hiroshi; Nagashima, Nobuya

Complexes Between L-Leucine and its Precipitants

Acta Crystallographica Section C

1,998

54

5

637

641

10.1107/S0108270197018106

1.5418

CuKα

null

0.049

null

0.06

null

3.729

null

has coordinates

Hasegawa, Kazuhiro; Ishikawa, Kohki; Kawaoka, Rie; Sano, Chiaki; Iitani, Kinzo; Komatsu, Hiroshi; Nagashima, Nobuya Complexes Between L-Leucine and its Precipitants Acta Crystallographica Section C 54(5) (1998) 637-641

301,791

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23:15:31

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2,007,258

9.866

0.002

28.201

0.009

6.25

0.002

90

null

90

null

90

null

1,738.9

0.9

298

null

5

P 21 21 21

P 2ac 2ab

19

L-leucine 4-methylbenzenesulfonate monohydrate

- C13 H23 N O6 S -

- C52 H92 N4 O24 S4 -

4

1

OA1024

Hasegawa, Kazuhiro; Ishikawa, Kohki; Kawaoka, Rie; Sano, Chiaki; Iitani, Kinzo; Komatsu, Hiroshi; Nagashima, Nobuya

Complexes Between L-Leucine and its Precipitants

Acta Crystallographica Section C

1,998

54

5

637

641

10.1107/S0108270197018106

1.5418

CuKα

null

0.047

null

0.055

null

2.86

null

has coordinates

Hasegawa, Kazuhiro; Ishikawa, Kohki; Kawaoka, Rie; Sano, Chiaki; Iitani, Kinzo; Komatsu, Hiroshi; Nagashima, Nobuya Complexes Between L-Leucine and its Precipitants Acta Crystallographica Section C 54(5) (1998) 637-641

301,791

2025-08-18

23:15:31

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/72/2007258.cif $ #-------------------------------------------------------------------...

2,230,048

9.5444

0.0019

10.667

0.002

11.222

0.002

64.63

0.03

79.5

0.03

87.5

0.03

1,014.3

0.4

293

2

293

2

null

5

P -1

-P 1

2

catena-Poly[diimidazolium [bis(μ-pyridine-2,5-dicarboxylato)bis[diaquapraseodymate(III)]]-bis(μ- pyridine-2,5-dicarboxylato)]

- C34 H30 N8 O20 Pr2 -

1

0.5

JH2277

Zhang, Wenjun; Chen, Yanmei; Lei, Tao; Li, Yahong; Li, Wu

catena-Poly[diimidazolium [bis(μ-pyridine-2,5-dicarboxylato)bis[diaquapraseodymate(III)]]-bis(μ-pyridine-2,5-dicarboxylato)]

Acta Crystallographica Section E

2,011

67

5

m569

m570

10.1107/S1600536811012360

0.71073

MoKα

0.0157

0.0152

null

0.0421

0.0425

null

1.043

null

has coordinates,has Fobs

Zhang, Wenjun; Chen, Yanmei; Lei, Tao; Li, Yahong; Li, Wu catena-Poly[diimidazolium [bis(μ-pyridine-2,5-dicarboxylato)bis[diaquapraseodymate(III)]]-bis(μ-pyridine-2,5-dicarboxylato)] Acta Crystallographica Section E 67(5) (2011) m569-m570

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/2/23/00/2230048.cif $ #-------------------------------------------------------------------...

2,007,259

5.264

0.003

10.084

0.004

24.758

0.003

90

null

93.02

0.04

90

null

1,312.4

0.9

298.2

null

298.2

null

4

P 1 21 1

P 2yb

4

1-phenyl-1,2,3,4-tetrahydroisoquinolinine monohydrochloride

- C15 H16 Cl N -

- C60 H64 Cl4 N4 -

4

2

OA1027

Nakahara, Hideaki; Takeuchi, Makoto; Naito, Ryo; Kurihara, Hiroyuki; Nagano, Noriaki; Isomura, Yasuo; Mase, Toshiyasu

Absolute Configuration of (+)-1-Phenyl-1,2,3,4-tetrahydroisoquinoline Hydrochloride

Acta Crystallographica Section C

1,998

54

5

651

653

10.1107/S0108270197018581

1.54184

CuKα

null

0.059

null

0.077

null

1.16

null

has coordinates

Nakahara, Hideaki; Takeuchi, Makoto; Naito, Ryo; Kurihara, Hiroyuki; Nagano, Noriaki; Isomura, Yasuo; Mase, Toshiyasu Absolute Configuration of (+)-1-Phenyl-1,2,3,4-tetrahydroisoquinoline Hydrochloride Acta Crystallographica Section C 54(5) (1998) 651-653

301,791

2025-08-18

23:15:31

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2,007,260

10.797

0.003

11.933

0.003

12.939

0.003

82.457

0.001

66.762

0.001

70.985

0.001

1,448.2

0.6

150

2

150

2

null

5

P -1

-P 1

2

- C42 H100 Al2 Er2 O14 -

1

0.5

OS1001

Kritikos, Mikael; Wijk, Maria; Westin, Gunnar

[Er~2~Al~2~(O^i^Pr)~12~(HO^i^Pr)~2~], a Novel Heterobimetallic Alkoxide

Acta Crystallographica Section C

1,998

54

5

576

578

10.1107/S0108270197017460

0.71073

MoKα

0.025

0.0237

null

0.0626

null

0.0618

null

1.088

1.095

null

has coordinates

Kritikos, Mikael; Wijk, Maria; Westin, Gunnar [Er~2~Al~2~(O^i^Pr)~12~(HO^i^Pr)~2~], a Novel Heterobimetallic Alkoxide Acta Crystallographica Section C 54(5) (1998) 576-578

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/72/2007260.cif $ #-------------------------------------------------------------------...

2,007,261

20.252

0.002

13.638

0.001

13.132

0.001

90

null

100.401

0.008

90

null

3,567.4

0.5

298

2

298

2

null

6

C 1 2/c 1

-C 2yc

15

hexakis(N,N-dimethylformamide)aluminium(III) perchlorate

- C18 H42 Al Cl3 N6 O18 -

- C72 H168 Al4 Cl12 N24 O72 -

4

0.5

OS1003

Suzuki, Honoh; Ishiguro, Shin-ichi

N,N-Dimethylformamide Complex of Aluminium(III) Perchlorate

Acta Crystallographica Section C

1,998

54

5

586

588

10.1107/S0108270197018817

1.54184

CuKα

0.0603

0.0556

null

0.1695

0.1625

null

1.089

1.106

null

has coordinates,has Fobs

Suzuki, Honoh; Ishiguro, Shin-ichi N,N-Dimethylformamide Complex of Aluminium(III) Perchlorate Acta Crystallographica Section C 54(5) (1998) 586-588

176,759

2020-10-21

18:00:00

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2,007,262

9.012

0.002

13.492

0.002

16.808

0.002

90

null

95.991

0.001

90

null

2,032.5

0.6

273

2

273

2

null

6

P 1 21/c 1

-P 2ybc

14

- C22 H16 Br N O4 S -

- C88 H64 Br4 N4 O16 S4 -

4

1

PT1045

Govindasamy, L.; Velmurugan, D.; Ravikumar, K.; Mohanakrishnan, A.K.

(3-Bromo-1-phenylsulfonyl-2-indolyl)methyl Benzoate

Acta Crystallographica Section C

1,998

54

5

635

637

10.1107/S0108270197016995

0.71073

MoKα

0.0909

0.0509

null

0.1311

0.1101

null

1.069

1.125

null

has coordinates

Govindasamy, L.; Velmurugan, D.; Ravikumar, K.; Mohanakrishnan, A.K. (3-Bromo-1-phenylsulfonyl-2-indolyl)methyl Benzoate Acta Crystallographica Section C 54(5) (1998) 635-637

301,791

2025-08-18

23:15:31

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/72/2007262.cif $ #-------------------------------------------------------------------...

2,230,047

9.059

0.006

9.859

0.008

10.597

0.008

76.324

0.014

83.71

0.02

86.5

0.03

913.5

1.2

298

2

298

2

null

6

P -1

-P 1

2

4-[(2'-Cyanobiphenyl-4-yl)methyl]morpholin-4-ium tetrafluoridoborate

- C18 H19 B F4 N2 O -

- C36 H38 B2 F8 N4 O2 -

2

1

JH2276

Li, Xiu-juan; Huang, Xian-gang; Li, Kang-jun

4-[(2'-Cyanobiphenyl-4-yl)methyl]morpholin-4-ium tetrafluoridoborate

Acta Crystallographica Section E

2,011

67

5

o1061

10.1107/S160053681101186X

0.71073

MoKα

0.0865

0.0669

null

0.1854

0.2019

null

1.059

null

has coordinates,has Fobs

Li, Xiu-juan; Huang, Xian-gang; Li, Kang-jun 4-[(2'-Cyanobiphenyl-4-yl)methyl]morpholin-4-ium tetrafluoridoborate Acta Crystallographica Section E 67(5) (2011) o1061

301,806

2025-08-19

15:27:02

#------------------------------------------------------------------------------ #$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301806 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/00/2230047.cif $ #-------------------------------------------------------------------...

2,007,263

8.6696

0.0007

11.1396

0.0007

21.1975

0.0007

90

null

92.49

0.02

90

null

2,045.2

0.2

293

2

293

2

null

4

P 1 21/n 1

-P 2yn

14

- C26 H25 N O3 -

- C104 H100 N4 O12 -

4

1

PT1052

V.K. Ganesh; S.Banumathi; D.Velmurugan; N. Ramasubbu; V.T.Ramakrishnan

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

Acta Crystallographica Section C

1,998

54

5

633

635

10.1107/S0108270197017009

1.5418

CuKα

0.0722

0.0511

null

0.1762

0.1522

null

0.61

0.612

null

has coordinates

V.K. Ganesh; S.Banumathi; D.Velmurugan; N. Ramasubbu; V.T.Ramakrishnan 9-(4-Methoxyphenyl)-10-phenyl-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione Acta Crystallographica Section C 54(5) (1998) 633-635

301,791

2025-08-18

23:15:31

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/72/2007263.cif $ #-------------------------------------------------------------------...

2,007,264

18.1623

0.0007

9.5124

0.0003

17.8745

0.0007

90

null

106.063

0.003

90

null

2,967.56

0.19

150

null

4

P 1 21/c 1

-P 2ybc

14

Triphenylphosphine sulfide

- C18 H15 P S -

- C144 H120 P8 S8 -

8

2

QA0032

Foces-Foces, C.; Llamas-Saiz, A.L.

Triphenylphosphine Sulfide: a Redetermination at 150K

Acta Crystallographica Section C

1,998

54

5

IUC9800013

10.1107/S0108270198099673

1.5418

CuKα

0.04

0.036

null

0.045

0.043

null

0.989

0.99

null

has coordinates,has Fobs

Foces-Foces, C.; Llamas-Saiz, A.L. Triphenylphosphine Sulfide: a Redetermination at 150K Acta Crystallographica Section C 54(5) (1998) IUC9800013

301,791

2025-08-18

23:15:31

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/72/2007264.cif $ #-------------------------------------------------------------------...

2,007,265

14.247

0.002

11.371

0.002

16.727

0.003

90

null

90.33

0.01

90

null

2,709.8

0.8

293

2

293

2

null

7

C 1 2/m 1

-C 2y

12

(μ-dicyclohexylphosphido)(μ-trifluormethyl-mercury)-octacarbonyl-dirhenium

- C21 H22 F3 Hg O8 P Re2 -

- C84 H88 F12 Hg4 O32 P4 Re8 -

4

0.5

QA0033

Flörke, Ulrich; Haupt, Hans-Jürgen

Octacarbonyl(μ-dicyclohexylphosphanido)(μ-trifluoromethylmercury)dirhenium

Acta Crystallographica Section C

1,998

54

5

IUC9800015

10.1107/S0108270198099727

0.71073

MoKα

0.0626

0.0364

null

0.0861

0.074

null

0.99

1.041

null

has coordinates,has Fobs

Flörke, Ulrich; Haupt, Hans-Jürgen Octacarbonyl(μ-dicyclohexylphosphanido)(μ-trifluoromethylmercury)dirhenium Acta Crystallographica Section C 54(5) (1998) IUC9800015

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/72/2007265.cif $ #-------------------------------------------------------------------...

2,007,266

9.722

0.002

11.36

0.002

13.123

0.003

66.16

0.02

87.77

0.02

75.19

0.02

1,278.2

0.5

293

2

293

2

null

6

P -1

-P 1

2

Bis(μ-cyclohexylphosphido)-octacarbonyl-manganese-rhenium

- C20 H24 Mn O8 P2 Re -

- C20 H22 Mn O8 P2 Re -

- C40 H44 Mn2 O16 P4 Re2 -

2

1

QA0035

Flörke, Ulrich

Octacarbonylbis(μ-cyclohexylphosphanido)manganeserhenium

Acta Crystallographica Section C

1,998

54

5

IUC9800016

10.1107/S0108270198099715

0.71073

MoKα

0.066

0.0394

null

0.0944

0.0848

null

1.102

1.166

null

has coordinates

Flörke, Ulrich Octacarbonylbis(μ-cyclohexylphosphanido)manganeserhenium Acta Crystallographica Section C 54(5) (1998) IUC9800016

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/72/2007266.cif $ #-------------------------------------------------------------------...

2,007,267

10.228

0.004

25.01

0.009

10.823

0.005

90

null

114.59

0.03

90

null

2,517.5

1.9

293

2

293

2

null

6

P 1 21/m 1

-P 2yb

11

(μ-dicyclohexyl)(μ-chloro)bis(triphenylphosphane-tricarbonyl-rhenium)

- C54 H52 Cl O6 P3 Re2 -

- C54 H49 Cl O6 P3 Re2 -

- C108 H98 Cl2 O12 P6 Re4 -

2

0.5

QA0036

Flörke, Ulrich

μ-Chloro-(μ-dicyclohexylphosphanido)bis[tricarbonyl(triphenylphosphine)rhenium]

Acta Crystallographica Section C

1,998

54

5

IUC9800017

10.1107/S0108270198099703

0.71073

MoKα

0.0959

0.0469

null

0.1347

0.0903

null

1.045

1.023

null

has coordinates,has disorder,has Fobs

Flörke, Ulrich μ-Chloro-(μ-dicyclohexylphosphanido)bis[tricarbonyl(triphenylphosphine)rhenium] Acta Crystallographica Section C 54(5) (1998) IUC9800017

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/2/00/72/2007267.cif $ #-------------------------------------------------------------------...

2,007,268

8.282

0.0002

7.8396

0.0001

20.2459

0.0004

90

null

99.613

0.001

90

null

1,296.06

0.04

293

2

293

2

null

4

P 1 21/n 1

-P 2yn

14

2-hydroxy-N-(4-nitrophenyl)phenethylamine

- C14 H14 N2 O3 -

- C56 H56 N8 O12 -

4

1

QA0037

Kandasamy Chinnakali; Hoong-Kun Fun; Kamaraj Sriraghavan; Vayalakkavoor T.Ramakrishnan

β-Hydroxy-N-(4-nitrophenyl)phenethylamine

Acta Crystallographica Section C

1,998

54

5

IUC9800012

10.1107/S0108270198099685

0.71073

MoKα

0.0634

0.046

null

0.1225

0.1101

null

1.038

1.084

null

has coordinates

Kandasamy Chinnakali; Hoong-Kun Fun; Kamaraj Sriraghavan; Vayalakkavoor T.Ramakrishnan β-Hydroxy-N-(4-nitrophenyl)phenethylamine Acta Crystallographica Section C 54(5) (1998) IUC9800012

301,791

2025-08-18

23:15:31

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/72/2007268.cif $ #-------------------------------------------------------------------...

2,230,046

7.3272

0.0006

24.8129

0.0019

10.4556

0.0008

90

null

97.391

0.001

90

null

1,885.1

0.3

298

2

298

2

null

4

P 1 21/c 1

-P 2ybc

14

Ethyl 1-(4-methoxybenzyl)-3-p-tolyl-1H-pyrazole-5-carboxylate

- C21 H22 N2 O3 -

- C84 H88 N8 O12 -

4

1

JH2273

Shi, Chuan-Xing; Xie, Yun-Man

Ethyl 1-(4-methoxybenzyl)-3-p-tolyl-1H-pyrazole-5-carboxylate

Acta Crystallographica Section E

2,011

67

5

o1084

10.1107/S1600536811012311

0.71073

MoKα

0.0529

0.0421

null

0.1094

0.1192

null

1.026

null

has coordinates,has Fobs

Shi, Chuan-Xing; Xie, Yun-Man Ethyl 1-(4-methoxybenzyl)-3-p-tolyl-1H-pyrazole-5-carboxylate Acta Crystallographica Section E 67(5) (2011) o1084

301,806

2025-08-19

15:27:02

#------------------------------------------------------------------------------ #$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301806 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/00/2230046.cif $ #-------------------------------------------------------------------...

2,007,269

15.9935

0.0007

17.3378

0.0006

17.5073

0.0007

90

null

101.542

0.005

90

null

4,756.5

0.3

148

null

148

null

5

C 1 2/c 1

-C 2yc

15

Bis(tetrabutylammonium) Nonadecaoxohexamolybdenum(VI)

- C32 H72 Mo6 N2 O19 -

- C128 H288 Mo24 N8 O76 -

4

0.5

QB0032

Boyle, Paul D.; Stauffer, Thad C.; Wirgau, Joseph I.; Cornman, Charles R.

Bis(tetra-n-butylammonium) Nonadecaoxohexamolybdenum(VI): a Redetermination at 148K

Acta Crystallographica Section C

1,998

54

5

IUC9800011

10.1107/S0108270198099739

0.71073

MolybdenumKα

0.035

null

0.043

0.042

null

1.14

null

has coordinates

Boyle, Paul D.; Stauffer, Thad C.; Wirgau, Joseph I.; Cornman, Charles R. Bis(tetra-n-butylammonium) Nonadecaoxohexamolybdenum(VI): a Redetermination at 148K Acta Crystallographica Section C 54(5) (1998) IUC9800011

301,791

2025-08-18

23:15:31

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/72/2007269.cif $ #-------------------------------------------------------------------...

2,007,270

5.999

0.001

5.999

0.001

5.999

0.001

90

null

90

null

90

null

215.89

0.06

293

2

293

2

null

3

F m -3 m

-F 4 2 3

225

lithium tantalum phosphide

- Li7.5 P4 Ta0.5 -

- Li7.5072 P4 Ta0.4896 -

1

0.005208

QB0037

Monconduit, Laure; Belin, Claude; Tillard, Monique

The New Mixed Lithium Tantalum Phosphide Li~8{-~x}Ta~x~P~4~ (x = 0.5)

Acta Crystallographica Section C

1,998

54

5

IUC9800014

10.1107/S0108270198099740

0.71073

MoKα

0.0304

null

0.0707

null

1.104

null

has coordinates

Monconduit, Laure; Belin, Claude; Tillard, Monique The New Mixed Lithium Tantalum Phosphide Li~8{-~x}Ta~x~P~4~ (x = 0.5) Acta Crystallographica Section C 54(5) (1998) IUC9800014

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/2/00/72/2007270.cif $ #-------------------------------------------------------------------...

2,007,271

6.5694

0.0015

8.917

0.002

13.696

0.003

90

null

96.14

0.03

90

null

797.7

0.3

150

2

150

2

null

3

P 1 21/c 1

-P 2ybc

14

1,4-bis(2-aminobenzyl)-1,4-diazacyclohexane

- C18 H24 N4 -

- C36 H48 N8 -

2

0.5

QB0038

Li, Wan-Sheung; Vatsadze, Sergei V.; Blake, Alexander J.; Mountford, Philip

1,4-Bis(2-aminobenzyl)-1,4-diazacyclohexane

Acta Crystallographica Section C

1,998

54

5

IUC9800019

10.1107/S0108270198099661

0.71073

MoKα

0.0484

0.0357

null

0.0919

null

1.102

null

has coordinates,has Fobs

Li, Wan-Sheung; Vatsadze, Sergei V.; Blake, Alexander J.; Mountford, Philip 1,4-Bis(2-aminobenzyl)-1,4-diazacyclohexane Acta Crystallographica Section C 54(5) (1998) IUC9800019

301,791

2025-08-18

23:15:31

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/72/2007271.cif $ #-------------------------------------------------------------------...

2,007,272

6.644

0.013

23.03

0.004

8.856

0.003

90

null

99.64

0.02

90

null

1,336

3

150

2

150

2

null

5

P 1 21/c 1

-P 2ybc

14

N-(2-nitrobenzyl)diethanolamine hydrobromide

N-(2-nitrobenzyl)diethanolammonium bromide

- C11 H17 Br N2 O4 -

- C44 H68 Br4 N8 O16 -

4

1

QB0039

Blake, Alexander J.; Champness, Neil R.; Li, Wan-Sheung; Mountford, Philip; Schröder, Martin; Wilson, Paul J.

Bis(2-hydroxyethyl)(2-nitrobenzyl)ammonium Bromide

Acta Crystallographica Section C

1,998

54

5

IUC9800020

10.1107/S0108270198098783

0.71073

MoKα

0.0724

0.048

null

0.1171

null

1.029

null

has coordinates,has Fobs

Blake, Alexander J.; Champness, Neil R.; Li, Wan-Sheung; Mountford, Philip; Schröder, Martin; Wilson, Paul J. Bis(2-hydroxyethyl)(2-nitrobenzyl)ammonium Bromide Acta Crystallographica Section C 54(5) (1998) IUC9800020

301,791

2025-08-18

23:15:31

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/72/2007272.cif $ #-------------------------------------------------------------------...

2,007,273

9.739

0.001

9.739

0.001

16.921

0.001

90

null

90

null

90

null

1,604.9

0.3

198

null

198

null

6

P -4 n 2

P -4 -2n

118

- C20 H56 Li2 N2 O2 Si4 -

- C40 H112 Li4 N4 O4 Si8 -

2

0.25

QC0002

Boyle, Timothy J.; Scott, Brian L.

Low-Temperature Structure of Lithium Bis(trimethylsilyl)amide Etherate, {[LiO(CH~2~CH~3~)~2~][N(Si(CH~3~)~3~)~2~]}~2~

Acta Crystallographica Section C

1,998

54

5

IUC9800018

10.1107/S0108270198099697

0.71073

MoKα

0.0402

0.0358

null

0.1063

0.1022

null

1.323

1.326

null

has coordinates,has Fobs

Boyle, Timothy J.; Scott, Brian L. Low-Temperature Structure of Lithium Bis(trimethylsilyl)amide Etherate, {[LiO(CH~2~CH~3~)~2~][N(Si(CH~3~)~3~)~2~]}~2~ Acta Crystallographica Section C 54(5) (1998) IUC9800018

301,791

2025-08-18

23:15:31

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/72/2007273.cif $ #-------------------------------------------------------------------...

2,007,274

14.135

0.002

9.884

0.001

10.877

0.001

90.01

0.01

118.95

0.01

90.004

0.001

1,329.7

0.3

180

2

null

5

C 1 c 1

C -2yc

9

1-phenyl-2,5-dibromo-3,4-dimethyl-2,5-dihydrophosphole oxide

- C12 H13 Br2 O P -

- C48 H52 Br8 O4 P4 -

4

1

SK1134

Tissot, Olivier; Gouygou, Maryse; Daran, Jean-Claude; Balavoine, Gilbert

Key Intermediates in the Synthesis of 2,2'-Biphosphole

Acta Crystallographica Section C

1,998

54

5

676

679

10.1107/S0108270197018179

0.71073

MoKα

0.0378

0.0309

null

0.0749

0.0727

null

1.137

1.172

null

has coordinates

Tissot, Olivier; Gouygou, Maryse; Daran, Jean-Claude; Balavoine, Gilbert Key Intermediates in the Synthesis of 2,2'-Biphosphole Acta Crystallographica Section C 54(5) (1998) 676-679

301,791

2025-08-18

23:15:31

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/72/2007274.cif $ #-------------------------------------------------------------------...

2,230,045

14.274

0.004

7.5763

0.0018

20.753

0.005

90

null

99.108

0.004

90

null

2,216

1

298

2

298

2

null

6

P 1 21/n 1

-P 2yn

14

[(E)-N'-(5-Chloro-2-oxidobenzylidene-κO)-3,4,5- trimethoxybenzohydrazidato-κ^2^N',O](pyridine- κN)copper(II)

- C22 H20 Cl Cu N3 O5 -

- C88 H80 Cl4 Cu4 N12 O20 -

4

1

JH2271

Wang, Yu-Min; Lin, Xiao-Hui; Chen, Zhen; Jiang, Hong-Li; Zhang, Chang-Jun

[(E)-N'-(5-Chloro-2-oxidobenzylidene-κO)-3,4,5-trimethoxybenzohydrazidato-κ^2^N',O](pyridine-κN)copper(II)

Acta Crystallographica Section E

2,011

67

5

m526

10.1107/S1600536811009901

0.71073

MoKα

0.0423

0.0314

null

0.0795

0.0855

null

1.042

null

has coordinates,has Fobs

Wang, Yu-Min; Lin, Xiao-Hui; Chen, Zhen; Jiang, Hong-Li; Zhang, Chang-Jun [(E)-N'-(5-Chloro-2-oxidobenzylidene-κO)-3,4,5-trimethoxybenzohydrazidato-κ^2^N',O](pyridine-κN)copper(II) Acta Crystallographica Section E 67(5) (2011) m526

301,806

2025-08-19

15:27:02

#------------------------------------------------------------------------------ #$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301806 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/00/2230045.cif $ #-------------------------------------------------------------------...

2,007,275

7.843

0.001

26.024

0.003

14.003

0.002

90

null

96.95

0.02

90

null

2,837.1

0.6

293

2

293

2

null

5

P 1 21/c 1

-P 2ybc

14

1-phenyl-2,5-dibromo-3,4-dimethyl-2,5-dihydrophosphole sulfide

- C12 H13 Br2 P S -

- C96 H104 Br16 P8 S8 -

8

2

SK1134

Tissot, Olivier; Gouygou, Maryse; Daran, Jean-Claude; Balavoine, Gilbert

Key Intermediates in the Synthesis of 2,2'-Biphosphole

Acta Crystallographica Section C

1,998

54

5

676

679

10.1107/S0108270197018179

0.71073

MoKα

0.0908

0.0509

null

0.1495

0.1416

null

1.193

1.531

null

has coordinates

Tissot, Olivier; Gouygou, Maryse; Daran, Jean-Claude; Balavoine, Gilbert Key Intermediates in the Synthesis of 2,2'-Biphosphole Acta Crystallographica Section C 54(5) (1998) 676-679

301,791

2025-08-18

23:15:31

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/72/2007275.cif $ #-------------------------------------------------------------------...

2,007,276

7.3535

0.0015

7.9457

0.0017

11.731

0.002

92.61

0.02

96.96

0.02

109.53

0.02

638.5

0.2

180

2

180

2

null

5

P -1

-P 1

2

1-phenyl-2-bromo-3,4-dimethylphosphole sulfide

- C12 H12 Br P S -

- C24 H24 Br2 P2 S2 -

2

1

SK1134

Tissot, Olivier; Gouygou, Maryse; Daran, Jean-Claude; Balavoine, Gilbert

Key Intermediates in the Synthesis of 2,2'-Biphosphole

Acta Crystallographica Section C

1,998

54

5

676

679

10.1107/S0108270197018179

0.71073

MoKα

0.0427

0.0364

null

0.095

0.0997

null

1.072

null

has coordinates

Tissot, Olivier; Gouygou, Maryse; Daran, Jean-Claude; Balavoine, Gilbert Key Intermediates in the Synthesis of 2,2'-Biphosphole Acta Crystallographica Section C 54(5) (1998) 676-679

301,791

2025-08-18

23:15:31

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/72/2007276.cif $ #-------------------------------------------------------------------...

2,007,277

7.2897

0.0005

19.692

0.003

7.523

0.002

90

null

92.18

0.02

90

null

1,079.1

0.3

293

2

293

2

null

5

P 1 21/c 1

-P 2ybc

14

Potassium 3-formyl-2,4-dinitrophenolate dihydrate

- C7 H7 K N2 O8 -

- C28 H28 K4 N8 O32 -

4

1

SK1160

Paixão, J. A.; Matos Beja, A.; Ramos Silva, M.; Alte da Veiga, L.; Gonsalves, A. M. D'A. Rocha; Serra, A.C.

Potassium 3-Formyl-2,4-dinitrophenolate Dihydrate

Acta Crystallographica Section C

1,998

54

5

618

621

10.1107/S0108270197017484

0.71073

MoKα

0.0521

0.0317

null

0.0801

0.0889

null

1.075

null

has coordinates,has Fobs

Paixão, J. A.; Matos Beja, A.; Ramos Silva, M.; Alte da Veiga, L.; Gonsalves, A. M. D'A. Rocha; Serra, A.C. Potassium 3-Formyl-2,4-dinitrophenolate Dihydrate Acta Crystallographica Section C 54(5) (1998) 618-621

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/72/2007277.cif $ #-------------------------------------------------------------------...

2,007,278

10.082

0.002

10.187

0.001

10.304

0.002

88.5

0.02

70.62

0.01

88.19

0.02

997.7

0.3

295

2

295

2

null

3

P -1

-P 1

2

2,2'-Bis(1-cyclohexanol)-biphenyl

- C24 H30 O2 -

- C48 H60 O4 -

2

1

SK1161

Nieger, Martin; Hupfer, Heike; Bolte, Michael

Structural Investigation of Biphenyl Derivatives

Acta Crystallographica Section C

1,998

54

5

656

659

10.1107/S0108270197017939

0.71069

MoKα

0.0642

0.0466

null

0.1226

null

1.061

null

has coordinates

Nieger, Martin; Hupfer, Heike; Bolte, Michael Structural Investigation of Biphenyl Derivatives Acta Crystallographica Section C 54(5) (1998) 656-659

301,791

2025-08-18

23:15:31

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/72/2007278.cif $ #-------------------------------------------------------------------...

2,007,279

10.062

0.001

16.307

0.001

11.398

0.002

90

null

97.83

0.01

90

null

1,852.8

0.4

295

2

295

2

null

3

P 1 21 1

P 2yb

4

2,2,7,7-Bis(pentamethylene)-dibenzo[c;e]-dihydro-oxepin

- C24 H28 O -

- C96 H112 O4 -

4

2

SK1161

Nieger, Martin; Hupfer, Heike; Bolte, Michael

Structural Investigation of Biphenyl Derivatives

Acta Crystallographica Section C

1,998

54

5

656

659

10.1107/S0108270197017939

0.71069

MoKα

0.0473

0.0392

null

0.0907

null

1.096

null

has coordinates

Nieger, Martin; Hupfer, Heike; Bolte, Michael Structural Investigation of Biphenyl Derivatives Acta Crystallographica Section C 54(5) (1998) 656-659

301,791

2025-08-18

23:15:31

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/72/2007279.cif $ #-------------------------------------------------------------------...

2,230,044

7.0942

0.0002

11.7149

0.0004

10.1921

0.0003

90

null

90.805

0.001

90

null

846.96

0.05

100

null

100

null

3

P 1 21 1

P 2yb

4

Fibaruretin B

2β,3α-dihydroxy-2,3,7,8α-tetrahydropenianthic acid lactone

- C20 H24 O7 -

- C40 H48 O14 -

2

1

IS2703

Fun, Hoong-Kun; Salae, Abdul Wahab; Razak, Ibrahim Abdul; Khairuddean, Melati; Chantrapromma, Suchada

Absolute configuration of fibaruretin B

Acta Crystallographica Section E

2,011

67

5

o1246

o1247

10.1107/S1600536811014887

1.54178

CuKα

0.0254

null

0.0656

null

1.087

null

has coordinates,has Fobs

Fun, Hoong-Kun; Salae, Abdul Wahab; Razak, Ibrahim Abdul; Khairuddean, Melati; Chantrapromma, Suchada Absolute configuration of fibaruretin B Acta Crystallographica Section E 67(5) (2011) o1246-o1247

301,806

2025-08-19

15:27:02

#------------------------------------------------------------------------------ #$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301806 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/00/2230044.cif $ #-------------------------------------------------------------------...

2,007,280

5.308

0.001

7.781

0.001

10.453

0.001

99.38

0.01

95.87

0.01

99.93

0.01

415.78

0.11

295

2

295

2

null

2

P -1

-P 1

2

4,5-9,10-Dicyclodexapyrene

- C24 H26 -

1

0.5

SK1161

Nieger, Martin; Hupfer, Heike; Bolte, Michael

Structural Investigation of Biphenyl Derivatives

Acta Crystallographica Section C

1,998

54

5

656

659

10.1107/S0108270197017939

0.71069

MoKα

0.0567

0.045

null

0.1254

null

1.066

null

has coordinates

Nieger, Martin; Hupfer, Heike; Bolte, Michael Structural Investigation of Biphenyl Derivatives Acta Crystallographica Section C 54(5) (1998) 656-659

301,791

2025-08-18

23:15:31

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/72/2007280.cif $ #-------------------------------------------------------------------...

2,007,281

13.3409

0.001

5.8353

0.0005

15.0408

0.001

90

null

100.142

0.008

90

null

1,152.6

0.15

293

2

293

2

null

3

P 1 21/n 1

-P 2yn

14

Δ^4^-7,7-ethylenedioxy-10-methyl-octal-1-one

- C13 H18 O3 -

- C52 H72 O12 -

4

1

SX1036

Branco, Marcelo Cardoso; Rodrigues, Ana Maria Goncalves D.; Gambardella, Maria Teresa do P.; Muzzi, Rosana M.; Ferraz, Helena M. C.

Δ^4^-7,7-Ethylenedioxy-10-methyloctal-1-one

Acta Crystallographica Section C

1,998

54

5

664

666

10.1107/S0108270197019173

0.71073

MoKα

0.1224

0.053

null

0.1737

0.1389

null

1.023

1.12

null

has coordinates

Branco, Marcelo Cardoso; Rodrigues, Ana Maria Goncalves D.; Gambardella, Maria Teresa do P.; Muzzi, Rosana M.; Ferraz, Helena M. C. Δ^4^-7,7-Ethylenedioxy-10-methyloctal-1-one Acta Crystallographica Section C 54(5) (1998) 664-666

301,791

2025-08-18

23:15:31

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/72/2007281.cif $ #-------------------------------------------------------------------...

2,007,282

8.313

0.005

17.486

0.007

10.566

0.005

90

null

90

null

90

null

1,535.9

1.3

301

null

298

null

5

P n a 21

P 2c -2n

33

Tetraethylammonium Dicopper Triiodide

- C8 H20 Cu2 I3 N -

- C32 H80 Cu8 I12 N4 -

4

1

SX1046

Aliya K. Nurtaeva; Gary Hu; Elizabeth M. Holt

Tetraethylammonium Dicopper(I) Triiodide and (18-Crown-6)potassium Dicopper(I) Triiodide

Acta Crystallographica Section C

1,998

54

5

597

600

10.1107/S0108270197017496

0.71073

MoKα

null

0.047

null

0.053

null

1.11

null

has coordinates

Aliya K. Nurtaeva; Gary Hu; Elizabeth M. Holt Tetraethylammonium Dicopper(I) Triiodide and (18-Crown-6)potassium Dicopper(I) Triiodide Acta Crystallographica Section C 54(5) (1998) 597-600

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/2/00/72/2007282.cif $ #-------------------------------------------------------------------...

2,007,283

15.44

0.007

17.635

0.006

8.422

0.003

90

null

97.14

0.04

90

null

2,275.4

1.5

301

null

298

null

6

P 1 21/c 1

-P 2ybc

14

Potassium 18-Crown-6 Dicopper Triiodide

- C12 H24 Cu2 I3 K O6 -

- C22 H44 Cu2 I3 K O12 -

- C88 H176 Cu8 I12 K4 O48 -

4

1

SX1046

Aliya K. Nurtaeva; Gary Hu; Elizabeth M. Holt

Tetraethylammonium Dicopper(I) Triiodide and (18-Crown-6)potassium Dicopper(I) Triiodide

Acta Crystallographica Section C

1,998

54

5

597

600

10.1107/S0108270197017496

0.71073

MoKα

null

0.086

null

0.218

null

0.892

null

has coordinates

Aliya K. Nurtaeva; Gary Hu; Elizabeth M. Holt Tetraethylammonium Dicopper(I) Triiodide and (18-Crown-6)potassium Dicopper(I) Triiodide Acta Crystallographica Section C 54(5) (1998) 597-600

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/2/00/72/2007283.cif $ #-------------------------------------------------------------------...

2,007,284

25.19

0.03

11.177

0.012

16.86

0.03

90

null

120.36

0.07

90

null

4,096

10

301

null

298

null

6

C 1 2/c 1

-C 2yc

15

Cesium 15-crown-5 Dicopper(I) Triiodide

- C10 H20 Cs Cu2 I3 O5 -

- C80 H160 Cs8 Cu16 I24 O40 -

8

1

SX1047

Aliya K. Nurtaeva; Elizabeth M. Holt

(15-Crown-5)caesium Dicopper(I) Triiodide, (15-Crown-5)potassium Dicopper(I) Triiodide and (15-Crown-5)rubidium Dicopper(I) Triiodide

Acta Crystallographica Section C

1,998

54

5

594

597

10.1107/S0108270197017502

0.71073

MoKα

null

0.0595

null

0.0685

null

1.36

null

has coordinates

Aliya K. Nurtaeva; Elizabeth M. Holt (15-Crown-5)caesium Dicopper(I) Triiodide, (15-Crown-5)potassium Dicopper(I) Triiodide and (15-Crown-5)rubidium Dicopper(I) Triiodide Acta Crystallographica Section C 54(5) (1998) 594-597

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/2/00/72/2007284.cif $ #-------------------------------------------------------------------...

2,007,285

23.818

0.014

10.956

0.006

17.071

0.01

90

null

119.75

0.02

90

null

3,868

4

298

null

298

null

6

C 1 2/c 1

-C 2yc

15

Potassium 15-crown-5 Dicopper(I) Triiodide

- C10 H20 Cu2 I3 K O5 -

- C80 H160 Cu16 I24 K8 O40 -

8

1

SX1047

Aliya K. Nurtaeva; Elizabeth M. Holt

(15-Crown-5)caesium Dicopper(I) Triiodide, (15-Crown-5)potassium Dicopper(I) Triiodide and (15-Crown-5)rubidium Dicopper(I) Triiodide

Acta Crystallographica Section C

1,998

54

5

594

597

10.1107/S0108270197017502

0.71073

MoKα

null

0.0586

null

0.0694

null

1.36

null

has coordinates

Aliya K. Nurtaeva; Elizabeth M. Holt (15-Crown-5)caesium Dicopper(I) Triiodide, (15-Crown-5)potassium Dicopper(I) Triiodide and (15-Crown-5)rubidium Dicopper(I) Triiodide Acta Crystallographica Section C 54(5) (1998) 594-597

176,435

2020-10-21

18:00:00

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2,230,043

6.4071

0.0001

10.1629

0.0002

17.1521

0.0003

106.372

0.001

92.4

0.001

97.551

0.001

1,058.61

0.03

297

2

297

2

null

5

P -1

-P 1

2

4-(2-{[4-Amino-6-(4-nitrobenzyl)-5-oxo-4,5-dihydro-1,2,4- triazin-3-yl]sulfanyl}acetyl)-3-phenylsydnone

4-(2-{[4-Amino-6-(4-nitrobenzyl)-5-oxo-4,5-dihydro-1,2,4- triazin-3-yl]sulfanyl}acetyl)-3-phenyl-1,2,3-oxadiazol-3-ium-5-olate

- C20 H15 N7 O6 S -

- C40 H30 N14 O12 S2 -

2

1

IS2702

Fun, Hoong-Kun; Rosli, Mohd Mustaqim; Nithinchandra; Kalluraya, Balakrishna

4-(2-{[4-Amino-6-(4-nitrobenzyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}acetyl)-3-phenylsydnone

Acta Crystallographica Section E

2,011

67

5

o1196

10.1107/S1600536811014504

0.71073

MoKα

0.0713

0.0467

null

0.117

0.1313

null

1.036

null

has coordinates,has Fobs

Fun, Hoong-Kun; Rosli, Mohd Mustaqim; Nithinchandra; Kalluraya, Balakrishna 4-(2-{[4-Amino-6-(4-nitrobenzyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}acetyl)-3-phenylsydnone Acta Crystallographica Section E 67(5) (2011) o1196

201,979

2020-10-21

18:00:00

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2,007,286

24.613

0.003

11.17

0.001

17.211

0.003

90

null

119.9

0.01

90

null

4,102

1

301

null

298

null

6

C 1 2/c 1

-C 2yc

15

Rubidium 15-Crown-5 Dicopper Triiodide

- C10 H20 Cu2 I3 O5 Rb -

- C80 H160 Cu16 I24 O40 Rb8 -

8

1

SX1047

Aliya K. Nurtaeva; Elizabeth M. Holt

(15-Crown-5)caesium Dicopper(I) Triiodide, (15-Crown-5)potassium Dicopper(I) Triiodide and (15-Crown-5)rubidium Dicopper(I) Triiodide

Acta Crystallographica Section C

1,998

54

5

594

597

10.1107/S0108270197017502

0.71073

MoKα

null

0.0584

null

0.0575

null

0.93

null

has coordinates

Aliya K. Nurtaeva; Elizabeth M. Holt (15-Crown-5)caesium Dicopper(I) Triiodide, (15-Crown-5)potassium Dicopper(I) Triiodide and (15-Crown-5)rubidium Dicopper(I) Triiodide Acta Crystallographica Section C 54(5) (1998) 594-597

176,435

2020-10-21

18:00:00

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2,007,287

11.027

0.003

12.1065

0.0012

13.199

0.003

90

null

106.45

0.02

90

null

1,689.9

0.6

292

null

292

null

4

P 1 21/n 1

-P 2yn

14

Trans-3-methoxy-4-nitro-3'4'5'-trimethoxy stilbene

(E)-1-(3'-methoxy-4'-nitrophenyl)-2-(3'',4'',5''-trimethoxyphenyl) ethene

- C18 H19 N O6 -

- C72 H76 N4 O24 -

4

1

SX1050

Mullica, Donald F.; Pinney, Kevin G.; Mejia, Pilar; Rosenquist, Brent E.; Sappenfield, Eric L.

(E)-1-(3-Methoxy-4-nitrophenyl)-2-(3,4,5-trimethoxyphenyl)ethene

Acta Crystallographica Section C

1,998

54

5

695

697

10.1107/S0108270197019902

0.71073

MoKα

0.066

0.045

null

0.531

null

0.071

null

1.805

null

has coordinates

Mullica, Donald F.; Pinney, Kevin G.; Mejia, Pilar; Rosenquist, Brent E.; Sappenfield, Eric L. (E)-1-(3-Methoxy-4-nitrophenyl)-2-(3,4,5-trimethoxyphenyl)ethene Acta Crystallographica Section C 54(5) (1998) 695-697

176,435

2020-10-21

18:00:00

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2,007,288

10.898

0.004

8.807

0.002

14.189

0.002

90

null

94.14

0.02

90

null

1,358.3

0.6

293

2

293

2

null

5

P 1 21/n 1

-P 2yn

14

Bis(N-Methylphenazinium)tetranitropalladate(II)

- C26 H22 N8 O8 Pd -

- C52 H44 N16 O16 Pd2 -

2

0.5

TA1144

Namgung, Hae; Kim, Seung-Bin; Suh, Il-Hwan

Bis[N-methylphenazinium(1+)] Tetranitropalladate(II)

Acta Crystallographica Section C

1,998

54

5

612

614

10.1107/S0108270197007208

0.71073

MoKα

0.0554

0.0293

null

0.0617

0.0577

null

1.102

1.253

null

has coordinates

Namgung, Hae; Kim, Seung-Bin; Suh, Il-Hwan Bis[N-methylphenazinium(1+)] Tetranitropalladate(II) Acta Crystallographica Section C 54(5) (1998) 612-614

301,791

2025-08-18

23:15:31

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/72/2007288.cif $ #-------------------------------------------------------------------...

2,007,289

9.19

0.005

9.232

0.002

9.66

0.002

79.15

0.01

85.82

0.03

65.39

0.04

731.8

0.5

293

2

293

2

null

6

P -1

-P 1

2

biammonium trisodium nonadecaoxo(tritungsto)trivanadate dodecahydrate

- H32 N2 Na3 O31 V3 W3 -

- N2 Na3 O31 V3 W3 -

1

0.5

TA1182

Xu, Yan; Xu, Ji-Qing; Yang, Guo-Yu; Wang, Tie-Gang; Xing, Yan; Lin, Yong-Hua; Jia, Heng-Qing

(NH~4~)~2~Na~3~(V~3~W~3~O~19~).12H~2~O

Acta Crystallographica Section C

1,998

54

5

563

565

10.1107/S0108270197016417

0.71073

MoKα

0.073

0.0667

null

0.1792

0.1598

null

1.203

1.226

null

has coordinates,has disorder

Xu, Yan; Xu, Ji-Qing; Yang, Guo-Yu; Wang, Tie-Gang; Xing, Yan; Lin, Yong-Hua; Jia, Heng-Qing (NH~4~)~2~Na~3~(V~3~W~3~O~19~).12H~2~O Acta Crystallographica Section C 54(5) (1998) 563-565

176,759

2020-10-21

18:00:00

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2,007,290

21.88

0.002

13.918

0.001

23.829

0.002

90

null

105.745

0.001

90

null

6,984.3

1

293

2

293

2

null

6

C 1 2/c 1

-C 2yc

15

- C60 H70 N12 Ni2 O23 V4 -

- C60 H48 N12 Ni2 O23 V4 -

- C240 H192 N48 Ni8 O92 V16 -

4

0.5

TA1193

Guo-Yu Yang; Da-Wei Gao; Ying Chen; Ji-Qing Xu; Qing-Xin Zeng; Hao-Ran Sun; Zhi-Wu Pei; Qiang Su; Yan Xing; Yong-Hua Ling; Heng-Qing Jia

[Ni(C~10~H~8~N~2~)~3~]~2~[V~4~O~12~].11H~2~O

Acta Crystallographica Section C

1,998

54

5

616

618

10.1107/S0108270197018751

0.71073

MoKα

0.0528

0.0376

null

0.1077

0.1016

null

0.962

1.055

null

has coordinates

Guo-Yu Yang; Da-Wei Gao; Ying Chen; Ji-Qing Xu; Qing-Xin Zeng; Hao-Ran Sun; Zhi-Wu Pei; Qiang Su; Yan Xing; Yong-Hua Ling; Heng-Qing Jia [Ni(C~10~H~8~N~2~)~3~]~2~[V~4~O~12~].11H~2~O Acta Crystallographica Section C 54(5) (1998) 616-618

176,759

2020-10-21

18:00:00

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2,230,042

13.0197

0.0002

6.746

0.0001

32.0674

0.0005

90

null

100.645

0.0004

90

null

2,768.04

0.07

100

0.1

100

0.1

null

4

C 1 2 1

C 2y

5

3β-acetoxyolean-11,12-aziridin-28,13-β-olide

- C32 H49 N O4 -

- C128 H196 N4 O16 -

4

1

IS2699

Tan, Wen Nee; Wong, Keng Chong; Khairuddean, Melati; Hemamalini, Madhukar; Fun, Hoong-Kun

Absolute configuration of 3β-acetoxyolean-11,12-aziridin-28,13-β-olide

Acta Crystallographica Section E

2,011

67

5

o1220

10.1107/S1600536811014875

1.54178

CuKα

0.0325

null

0.0871

0.0872

null

1.022

null

has coordinates,has Fobs

Tan, Wen Nee; Wong, Keng Chong; Khairuddean, Melati; Hemamalini, Madhukar; Fun, Hoong-Kun Absolute configuration of 3β-acetoxyolean-11,12-aziridin-28,13-β-olide Acta Crystallographica Section E 67(5) (2011) o1220

301,806

2025-08-19

15:27:02

#------------------------------------------------------------------------------ #$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301806 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/00/2230042.cif $ #-------------------------------------------------------------------...

2,007,291

29.357

0.004

7.096

0.006

20.201

0.004

90

null

128.472

0.008

90

null

3,295

3

293.2

null

293.2

null

5

C 1 2/c 1

null

- C18 H10 Cl2 N4 Pt -

- C27 H15 Cl3 N6 Pt1.5 -

- C216 H120 Cl24 N48 Pt12 -

8

1

TA1194

Kato, Masako; Kosuge, Chizuko; Yano, Shigenobu; Kimura, Masaru

Two-Dimensional Stacking of Dichloro(dipyridophenazine)platinum(II)

Acta Crystallographica Section C

1,998

54

5

621

623

10.1107/S0108270197018052

0.7107

MoKα

0.076

null

0.103

null

1.176

null

has coordinates

Kato, Masako; Kosuge, Chizuko; Yano, Shigenobu; Kimura, Masaru Two-Dimensional Stacking of Dichloro(dipyridophenazine)platinum(II) Acta Crystallographica Section C 54(5) (1998) 621-623

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/2/00/72/2007291.cif $ #-------------------------------------------------------------------...

2,007,292

10.665

0.005

7.219

0.002

23.662

0.003

90

null

90

null

90

null

1,821.8

1

293

2

293

2

null

4

P n a 21

P 2c -2n

33

Neodymium diselenite seleniousf acid dihydrate

- H6 Nd2 O20 Se7 -

- H24 Nd8 O80 Se28 -

4

1

AB1466

Miluvka Stancheva; Rosica Petrova; Josef Macíček

Neodymium Diselenite Selenious Acid Dihydrate: Structure and Conformation of the Se~2~O~5~ Group

Acta Crystallographica Section C

1,998

54

6

699

701

10.1107/S0108270197019318

0.71069

MoKα

0.0321

0.0277

null

0.0708

null

0.897

null

has coordinates

Miluvka Stancheva; Rosica Petrova; Josef Macíček Neodymium Diselenite Selenious Acid Dihydrate: Structure and Conformation of the Se~2~O~5~ Group Acta Crystallographica Section C 54(6) (1998) 699-701

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/2/00/72/2007292.cif $ #-------------------------------------------------------------------...

2,007,293

16.675

0.003

7.163

0.001

8.1

0.002

90

null

90

null

90

null

967.5

0.3

293

2

293

2

null

6

P n m a

-P 2ac 2n

62

Trimethylammoniumnickel(II)chloridedihydrate

Trimethylammoniumdiaquodichloronickel(II)chloride

- C3 H14 Cl3 N Ni O2 -

- C12 H56 Cl12 N4 Ni4 O8 -

4

0.5

AB1508

Thiele, Gerhard; Wittenburg, Gunnar

Trimethylammonium Nickel(II) Chloride Dihydrate

Acta Crystallographica Section C

1,998

54

6

764

766

10.1107/S0108270198000109

0.71069

MoKα

0.0836

0.0271

null

0.0789

null

1.097

null

has coordinates

Thiele, Gerhard; Wittenburg, Gunnar Trimethylammonium Nickel(II) Chloride Dihydrate Acta Crystallographica Section C 54(6) (1998) 764-766

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/2/00/72/2007293.cif $ #-------------------------------------------------------------------...

2,007,294

25.281

0.004

6.741

0.001

15.559

0.003

90

null

101.92

0.03

90

null

2,594.4

0.8

293

2

293

2

null

4

C 1 2/c 1

-C 2yc

15

- C16 H14 N2 O -

- C128 H112 N16 O8 -

8

1

AB1513

Gigmes, Didier; Siri, Didier; Reboul, Jean-Pierre; Redouane, Nourredine; Tordo, Paul; Pèpe, Gerard

2-Methyl-2-(10-phenoxazinyl)propiononitrile

Acta Crystallographica Section C

1,998

54

6

822

824

10.1107/S010827019701932X

0.71073

MoKα

0.0455

0.044

null

0.0896

0.0893

null

0.961

1.156

null

has coordinates

Gigmes, Didier; Siri, Didier; Reboul, Jean-Pierre; Redouane, Nourredine; Tordo, Paul; Pèpe, Gerard 2-Methyl-2-(10-phenoxazinyl)propiononitrile Acta Crystallographica Section C 54(6) (1998) 822-824

301,791

2025-08-18

23:15:31

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/72/2007294.cif $ #-------------------------------------------------------------------...

2,007,295

11.2662

0.0013

9.8162

0.001

17.2773

0.0018

90

null

102.47

0.01

90

null

1,865.6

0.4

295

null

4

P 1 21/n 1

-P 2yn

14

- C21 H17 Cl2 N3 -

- C84 H68 Cl8 N12 -

4

1

AB1518

Kendi, Engin; Özbey, Süheyla; Tunçbilek, Meral; Göker, Hakan

1-Benzyl-2-(2,6-dichloroanilinomethyl)-1H-benzimidazole

Acta Crystallographica Section C

1,998

54

6

854

856

10.1107/S0108270197019331

0.71073

MoKα

null

0.0336

null

0.039

null

0.71

null

has coordinates

Kendi, Engin; Özbey, Süheyla; Tunçbilek, Meral; Göker, Hakan 1-Benzyl-2-(2,6-dichloroanilinomethyl)-1H-benzimidazole Acta Crystallographica Section C 54(6) (1998) 854-856

301,791

2025-08-18

23:15:31

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/72/2007295.cif $ #-------------------------------------------------------------------...

2,007,296

9.716

0.003

10.447

0.004

16.303

0.006

87.56

0.03

89.14

0.03

88.1

0.03

1,652.2

1

293

2

293

2

null

5

P -1

-P 1

2

bis (guanidinium) (hydrogentriethylene tetraamine-hexaacetato) bismuthate III

- C20 H45 Bi N10 O16 -

- C20 H37 Bi N10 O16 -

- C40 H74 Bi2 N20 O32 -

2

1

AB1531

Wullens, Hilda; Devillers, Michel; Tinant, Bernard; Declercq, Jean-Paul

Bis(guanidinium) (Hydrogen triethylenetetraminehexaacetato)bismuthate(III) Tetrahydrate

Acta Crystallographica Section C

1,998

54

6

770

773

10.1107/S0108270198000882

0.71069

MoKα

0.078

0.055

null

0.126

null

0.119

null

0.983

null

1.061

null

has coordinates

Wullens, Hilda; Devillers, Michel; Tinant, Bernard; Declercq, Jean-Paul Bis(guanidinium) (Hydrogen triethylenetetraminehexaacetato)bismuthate(III) Tetrahydrate Acta Crystallographica Section C 54(6) (1998) 770-773

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/72/2007296.cif $ #-------------------------------------------------------------------...

2,007,297

9.921

0.001

9.921

0.001

26.88

0.005

90

null

90

null

120

null

2,291.2

0.5

293

2

293

2

null

6

P 31 2 1

P 31 2"

152

(2R,4S,6S)-(+)-2-N-benzylmethyl-amino-2-thio-4,6- dimethyl-1,3,2-dioxaphosphorinane

- C13 H20 N O2 P S -

- C78 H120 N6 O12 P6 S6 -

6

1

BK1328

Hommer, Herbert; Domínguez, Zaira; Gordillo, Bárbara

(4S,6S,11R)-(+)-trans-4,6-Dimethyl-2-(1-phenylethylamino)-2-thio-1,3,2λ^5^-dioxaphosphorinane

Acta Crystallographica Section C

1,998

54

6

832

834

10.1107/S0108270197020179

0.71073

MoKα

0.055

0.037

null

0.112

0.106

null

1.137

1.262

null

has coordinates

Hommer, Herbert; Domínguez, Zaira; Gordillo, Bárbara (4S,6S,11R)-(+)-trans-4,6-Dimethyl-2-(1-phenylethylamino)-2-thio-1,3,2λ^5^-dioxaphosphorinane Acta Crystallographica Section C 54(6) (1998) 832-834

301,791

2025-08-18

23:15:31

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/72/2007297.cif $ #-------------------------------------------------------------------...

2,230,041

9.679

0.003

11.256

0.003

12.661

0.002

79.09

0.02

76.46

0.02

73.04

0.02

1,271.8

0.6

300

2

300

2

null

5

P -1

-P 1

2

Ethyl 5,5-dichloro-3-(4-chlorophenyl)-3a-methyl-4a-phenyl-3a,4,4a,5- tetrahydro-3H- aziridino[2,1-d][1,2,4]triazolo[4,3-a][1,5]benzodiazepine- 1-carboxylate

Ethyl 3,3-dichloro-7-(4-chlorophenyl)-6-methyl-4-phenyl-2,7,8,10- tetraazatetracyclo[9.4.0.0^2,4^.0^6,10^]pentadeca-1(11),8,12,14-tetraene- 9-carboxylate

- C27 H23 Cl3 N4 O2 -

- C54 H46 Cl6 N8 O4 -

2

1

IS2697

Boudina, Aicha; Baouid, Abdesselam; Driss, Mohamed; Soumhi, El Hassane

Ethyl 5,5-dichloro-3-(4-chlorophenyl)-3a-methyl-4a-phenyl-3a,4,4a,5-tetrahydro-3H-aziridino[2,1-d][1,2,4]triazolo[4,3-a][1,5]benzodiazepine-1-carboxylate

Acta Crystallographica Section E

2,011

67

5

o1211

10.1107/S1600536811014115

0.71073

MoKα

0.0465

0.0364

null

0.0948

0.1013

null

1.045

null

has coordinates,has Fobs

Boudina, Aicha; Baouid, Abdesselam; Driss, Mohamed; Soumhi, El Hassane Ethyl 5,5-dichloro-3-(4-chlorophenyl)-3a-methyl-4a-phenyl-3a,4,4a,5-tetrahydro-3H-aziridino[2,1-d][1,2,4]triazolo[4,3-a][1,5]benzodiazepine-1-carboxylate Acta Crystallographica Section E 67(5) (2011) o1211

301,806

2025-08-19

15:27:02

#------------------------------------------------------------------------------ #$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301806 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/00/2230041.cif $ #-------------------------------------------------------------------...

2,007,298

12.861

0.002

14.328

0.002

23.929

0.002

90

null

99.784

0.011

90

null

4,345.3

1

296

null

296

null

3

P 1 21/c 1

-P 2ybc

14

biphenyl-2-carboxylic acid

- C13 H10 O2 -

- C208 H160 O32 -

16

4

BK1371

Dobson, Allison J.; Gerkin, Roger E.

Biphenyl-2-carboxylic Acid: a Layered Structure

Acta Crystallographica Section C

1,998

54

6

795

798

10.1107/S0108270197018738

0.71073

MoKα

null

0.052

null

0.137

null

1.12

null

has coordinates

Dobson, Allison J.; Gerkin, Roger E. Biphenyl-2-carboxylic Acid: a Layered Structure Acta Crystallographica Section C 54(6) (1998) 795-798

301,791

2025-08-18

23:15:31

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/72/2007298.cif $ #-------------------------------------------------------------------...

2,007,299

9.889

0.002

10.208

0.003

9.466

0.006

85.81

0.04

79.79

0.03

79.14

0.02

922.8

0.7

293

null

293

null

6

P -1

-P 1

2

Dibutyldichlorobis[(2-(phenylethylimino)methyl)phenol]tin(IV)

- C38 H48 Cl2 N2 O2 Sn -

1

0.5

BK1372

Yeap, Guan-Yeow; Ishizawa, Nobuo

Dibutyldichlorobis{2-[(phenylethylimino)methyl]phenol-O}tin(IV)

Acta Crystallographica Section C

1,998

54

6

720

722

10.1107/S010827019701874X

0.7107

MoKα

0.053

0.029

null

0.022

0.02

null

1.462

1.587

null

has coordinates

Yeap, Guan-Yeow; Ishizawa, Nobuo Dibutyldichlorobis{2-[(phenylethylimino)methyl]phenol-O}tin(IV) Acta Crystallographica Section C 54(6) (1998) 720-722

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/2/00/72/2007299.cif $ #-------------------------------------------------------------------...

2,007,300

4.851

0.004

6.288

0.005

9.781

0.008

99.96

0.07

101.26

0.07

91.04

0.07

287.8

0.4

150

1

150

2

null

4

P 1

1

3-acetamido-2-nitrobenzyl acetate

- C11 H12 N2 O5 -

1

BM1149

Mazurek, Jarosław; Lis, Tadeusz; Rusek, Grzegorz; Krajewski, Krzysztof

Nitro Derivatives of 3-Acetamidobenzyl Acetate

Acta Crystallographica Section C

1,998

54

6

863

867

10.1107/S0108270197008123

0.71073

MoKα

0.0454

0.0371

null

0.1047

0.0971

null

1.144

1.132

null

has coordinates

Mazurek, Jarosław; Lis, Tadeusz; Rusek, Grzegorz; Krajewski, Krzysztof Nitro Derivatives of 3-Acetamidobenzyl Acetate Acta Crystallographica Section C 54(6) (1998) 863-867

301,791

2025-08-18

23:15:31

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/73/2007300.cif $ #-------------------------------------------------------------------...

2,007,301

4.874

0.007

17.833

0.016

13.277

0.015

90

null

92.35

0.1

90

null

1,153

2

100

2

100

2

null

4

P 1 21/n 1

-P 2yn

14

3-Acetamido-6-nitrobenzyl acetate

- C11 H12 N2 O5 -

- C44 H48 N8 O20 -

4

1

BM1149

Mazurek, Jarosław; Lis, Tadeusz; Rusek, Grzegorz; Krajewski, Krzysztof

Nitro Derivatives of 3-Acetamidobenzyl Acetate

Acta Crystallographica Section C

1,998

54

6

863

867

10.1107/S0108270197008123

0.71073

MoKα

0.0702

0.0426

null

0.1217

0.1095

null

1.091

1.09

null

has coordinates

Mazurek, Jarosław; Lis, Tadeusz; Rusek, Grzegorz; Krajewski, Krzysztof Nitro Derivatives of 3-Acetamidobenzyl Acetate Acta Crystallographica Section C 54(6) (1998) 863-867

301,791

2025-08-18

23:15:31

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/73/2007301.cif $ #-------------------------------------------------------------------...

2,007,302

7.453

0.003

10.939

0.005

15.473

0.009

90

null

93.84

0.03

90

null

1,258.7

1.1

150

1

150

1

null

4

P 1 21/c 1

-P 2ybc

14

3-Acetamido-6-nitrobenzyl acetate monohydrate

- C11 H14 N2 O6 -

- C44 H56 N8 O24 -

4

1

BM1149

Mazurek, Jarosław; Lis, Tadeusz; Rusek, Grzegorz; Krajewski, Krzysztof

Nitro Derivatives of 3-Acetamidobenzyl Acetate

Acta Crystallographica Section C

1,998

54

6

863

867

10.1107/S0108270197008123

0.71069

MoKα

0.0746

0.0441

null

0.1386

0.1185

null

1.058

1.095

null

has coordinates

Mazurek, Jarosław; Lis, Tadeusz; Rusek, Grzegorz; Krajewski, Krzysztof Nitro Derivatives of 3-Acetamidobenzyl Acetate Acta Crystallographica Section C 54(6) (1998) 863-867

301,791

2025-08-18

23:15:31

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/73/2007302.cif $ #-------------------------------------------------------------------...

2,007,303

8.58

0.001

13.901

0.002

19.977

0.003

90

null

98.57

0.02

90

null

2,356.1

0.6

293

2

293

2

null

4

P 1 21/c 1

-P 2ybc

14

- C27 H29 N3 O2 -

- C108 H116 N12 O8 -

4

1

BM1178

Luccioni-Houzé, Barbara; Giusti, Gerard; Pèpe, Gérard

5'-[2-(N-tert-Butylethanal nitrone)]-1,3,3-trimethylspiro[indoline-2,3'-naphtho[2,1-b][1,4]oxazine]

Acta Crystallographica Section C

1,998

54

6

824

825

10.1107/S0108270197012882

0.71069

MoKα

0.046

0.036

null

0.066

0.065

null

0.923

0.991

null

has coordinates

Luccioni-Houzé, Barbara; Giusti, Gerard; Pèpe, Gérard 5'-[2-(N-tert-Butylethanal nitrone)]-1,3,3-trimethylspiro[indoline-2,3'-naphtho[2,1-b][1,4]oxazine] Acta Crystallographica Section C 54(6) (1998) 824-825

301,791

2025-08-18

23:15:31

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/73/2007303.cif $ #-------------------------------------------------------------------...

2,230,040

11.2836

0.0001

14.96

0.0002

15.1828

0.0003

109.257

0.001

98.503

0.001

105.743

0.001

2,247.89

0.06

296

2

296

2

null

5

P -1

-P 1

2

(2-Amino-3-nitrobenzoato-κO)triphenyltin(IV)

- C25 H20 N2 O4 Sn -

- C100 H80 N8 O16 Sn4 -

4

2

IS2696

Win, Yip-Foo; Choong, Chen-Shang; Heng, Mei-Hsuan; Quah, Ching Kheng; Fun, Hoong-Kun

(2-Amino-3-nitrobenzoato-κO)triphenyltin(IV)

Acta Crystallographica Section E

2,011

67

5

m561

m562

10.1107/S160053681101244X

0.71073

MoKα

0.0583

0.032

null

0.0689

0.0795

null

1.006

null

has coordinates,has Fobs

Win, Yip-Foo; Choong, Chen-Shang; Heng, Mei-Hsuan; Quah, Ching Kheng; Fun, Hoong-Kun (2-Amino-3-nitrobenzoato-κO)triphenyltin(IV) Acta Crystallographica Section E 67(5) (2011) m561-m562

176,798

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-21 02:03:34 +0200 (Sun, 21 Feb 2016) $ #$Revision: 176798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/00/2230040.cif $ #-------------------------------------------------------------------...

2,007,304

9.0996

0.0007

10.9985

0.0009

11.3214

0.0008

98.956

0.007

109.026

0.006

103.602

0.006

1,007.29

0.15

293

2

293

2

null

3

P -1

-P 1

2

5-Amino-8-cyano-2,4-diphenyl-7-(pyrrolidin-1yl)-1,6-naphthyridine

- C25 H21 N5 -

- C50 H42 N10 -

2

1

BM1213

Kandasamy Chinnakali; Hoong-Kun Fun; Ibrahim Abdul Razak; Periyasamy Murugan; Vayalakkavoor T.Ramakrishnan

5-Amino-2,4-diphenyl-7-(pyrrolidin-1-yl)-1,6-naphthyridine-8-carbonitrile

Acta Crystallographica Section C

1,998

54

6

781

783

10.1107/S0108270197019574

0.71073

MoKα

0.0738

0.0448

null

0.1341

0.1207

null

0.938

1.078

null

has coordinates,has disorder

Kandasamy Chinnakali; Hoong-Kun Fun; Ibrahim Abdul Razak; Periyasamy Murugan; Vayalakkavoor T.Ramakrishnan 5-Amino-2,4-diphenyl-7-(pyrrolidin-1-yl)-1,6-naphthyridine-8-carbonitrile Acta Crystallographica Section C 54(6) (1998) 781-783

301,791

2025-08-18

23:15:31

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/73/2007304.cif $ #-------------------------------------------------------------------...

2,007,305

5.7358

0.0015

14.693

0.002

13.112

0.0012

90

null

98.87

0.04

90

null

1,091.8

0.4

150

2

150

2

null

4

P 1 21/c 1

-P 2ybc

14

2-amino-5-nitrobenzophenone

- C13 H10 N2 O3 -

- C52 H40 N8 O12 -

4

1

BM1214

Philip J. Cox; Abu T. Md. Anisuzzaman; R. Howard Pryce-Jones; Graham G. Skellern; Alastair J. Florence; Norman Shankland

2-Amino-5-nitrobenzophenone and 2'-Fluoro-2-methylamino-5-nitrobenzophenone

Acta Crystallographica Section C

1,998

54

6

856

859

10.1107/S0108270197018969

0.7107

MoKα

0.0693

0.0378

null

0.0768

0.0718

null

0.757

0.957

null

has coordinates

Philip J. Cox; Abu T. Md. Anisuzzaman; R. Howard Pryce-Jones; Graham G. Skellern; Alastair J. Florence; Norman Shankland 2-Amino-5-nitrobenzophenone and 2'-Fluoro-2-methylamino-5-nitrobenzophenone Acta Crystallographica Section C 54(6) (1998) 856-859

301,791

2025-08-18

23:15:31

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/73/2007305.cif $ #-------------------------------------------------------------------...

2,007,306

4.215

0.0017

13.602

0.0018

21.547

0.007

90

null

94.748

0.0011

90

null

1,231.1

0.7

150

2

150

2

null

5

P 1 21/n 1

-P 2yn

14

2-methylamino-9-fluoro-5-nitrobenzophenone

- C14 H11 F N2 O3 -

- C56 H44 F4 N8 O12 -

4

1

BM1214

Philip J. Cox; Abu T. Md. Anisuzzaman; R. Howard Pryce-Jones; Graham G. Skellern; Alastair J. Florence; Norman Shankland

2-Amino-5-nitrobenzophenone and 2'-Fluoro-2-methylamino-5-nitrobenzophenone

Acta Crystallographica Section C

1,998

54

6

856

859

10.1107/S0108270197018969

0.7107

MoKα

0.1122

0.0334

null

0.0682

null

0.496

null

has coordinates

Philip J. Cox; Abu T. Md. Anisuzzaman; R. Howard Pryce-Jones; Graham G. Skellern; Alastair J. Florence; Norman Shankland 2-Amino-5-nitrobenzophenone and 2'-Fluoro-2-methylamino-5-nitrobenzophenone Acta Crystallographica Section C 54(6) (1998) 856-859

301,791

2025-08-18

23:15:31

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/73/2007306.cif $ #-------------------------------------------------------------------...

2,230,039

9.0287

0.0003

13.5239

0.0004

20.7505

0.0006

90

null

108.894

0.001

90

null

2,397.19

0.13

100

null

100

null

6

P 1 21/c 1

-P 2ybc

14

(2-Chloro-4-nitrobenzoato)(methanol)triphenyltin(IV)

- C26 H22 Cl N O5 Sn -

- C104 H88 Cl4 N4 O20 Sn4 -

4

1

IS2695

Win, Yip-Foo; Choong, Chen-Shang; Ha, Sie-Tiong; Quah, Ching Kheng; Fun, Hoong-Kun

(2-Chloro-4-nitrobenzoato)(methanol)triphenyltin(IV)

Acta Crystallographica Section E

2,011

67

5

m535

10.1107/S1600536811011962

0.71073

MoKα

0.0295

0.0243

null

0.0564

0.0598

null

1.043

null

has coordinates,has Fobs

Win, Yip-Foo; Choong, Chen-Shang; Ha, Sie-Tiong; Quah, Ching Kheng; Fun, Hoong-Kun (2-Chloro-4-nitrobenzoato)(methanol)triphenyltin(IV) Acta Crystallographica Section E 67(5) (2011) m535

176,798

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-21 02:03:34 +0200 (Sun, 21 Feb 2016) $ #$Revision: 176798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/00/2230039.cif $ #-------------------------------------------------------------------...

2,007,307

13.409

0.003

12.6654

0.0009

8.9671

0.0011

90

null

90.308

0.012

90

null

1,522.9

0.4

293

2

293

2

null

3

P 1 21/c 1

-P 2ybc

14

2-(1-Naphthoyl)-5,8-dihydronaphthalene-1-ol

- C21 H16 O2 -

- C84 H64 O8 -

4

1

BM1218

Chinnakali, Kandasamy; Fun, Hoong-Kun; Sriraghavan, Kamaraj; Ramakrishnan, Vayalakkavoor T.

2-(1-Naphthoyl)-5,8-dihydronaphthalen-1-ol

Acta Crystallographica Section C

1,998

54

6

783

785

10.1107/S010827019800050X

0.71073

MoKα

0.151

0.037

null

0.079

0.061

null

0.727

1.059

null

has coordinates

Chinnakali, Kandasamy; Fun, Hoong-Kun; Sriraghavan, Kamaraj; Ramakrishnan, Vayalakkavoor T. 2-(1-Naphthoyl)-5,8-dihydronaphthalen-1-ol Acta Crystallographica Section C 54(6) (1998) 783-785

301,791

2025-08-18

23:15:31

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/73/2007307.cif $ #-------------------------------------------------------------------...

2,007,308

10.2947

0.001

16.368

0.002

10.3822

0.001

90

null

96.845

0.01

90

null

1,737

0.3

173

2

173

2

null

5

P 1 21/n 1

-P 2yn

14

1,4,7,10-Tetraoxacyclododecane Di(benzenesulfonyl)amine (1:2)

- C32 H38 N2 O12 S4 -

- C64 H76 N4 O24 S8 -

2

0.5

BM1226

Wijaya, Karna; Moers, Oliver; Jones, Peter G.; Blaschette, Armand

Polysulfonylamines. CI. 1,4,7,10-Tetraoxacyclododecane–Di(benzenesulfonyl)amine (1/2)

Acta Crystallographica Section C

1,998

54

6

818

820

10.1107/S0108270198002376

0.71073

MoKα

0.037

0.028

null

0.073

0.07

null

1.037

1.109

null

has coordinates

Wijaya, Karna; Moers, Oliver; Jones, Peter G.; Blaschette, Armand Polysulfonylamines. CI. 1,4,7,10-Tetraoxacyclododecane–Di(benzenesulfonyl)amine (1/2) Acta Crystallographica Section C 54(6) (1998) 818-820

301,791

2025-08-18

23:15:31

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/73/2007308.cif $ #-------------------------------------------------------------------...

2,007,309

10.179

0.001

10.179

0.001

11.674

0.002

90

null

90

null

120

null

1,047.5

0.2

293

2

293

2

null

2

R -3 :H

-R 3

148

Hexamolybdenum Octatelluride

- Mo6 Te8 -

- Mo18 Te24 -

3

0.166667

BR1198

Miller, Gordon J.; Smith, Mark

Hexamolybdenum Octatelluride, Mo~6~Te~8~

Acta Crystallographica Section C

1,998

54

6

709

710

10.1107/S0108270197017812

0.71073

MoKα

0.0405

0.0387

null

0.1097

null

0.1091

null

1.171

1.187

null

has coordinates

Miller, Gordon J.; Smith, Mark Hexamolybdenum Octatelluride, Mo~6~Te~8~ Acta Crystallographica Section C 54(6) (1998) 709-710

211,196

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $ #$Revision: 211196 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/73/2007309.cif $ #-------------------------------------------------------------------...

2,007,310

7.269

0.001

8.03

0.002

11.055

0.002

90

null

103.76

0.03

90

null

626.8

0.2

293

2

295

null

3

P 1 21 1

P 2yb

4

(1R*,2R*,4R*,5S*,1'E)-1,2,4-trichloro-5-(2'-chloroethenyl-1,5- dimethylcyclohexane)

- C10 H14 Cl4 -

- C20 H28 Cl8 -

2

1

BS1027

Rivera, Patricio; Manríquez, Victor; Wittke, Oscar

Absolute Configuration of a Tetrachloro Monoterpene from Plocamium cartilagineum

Acta Crystallographica Section C

1,998

54

6

816

818

10.1107/S0108270197017976

0.71073

MoKα

0.0266

0.0258

null

0.0724

0.0713

null

1.09

1.091

null

has coordinates

Rivera, Patricio; Manríquez, Victor; Wittke, Oscar Absolute Configuration of a Tetrachloro Monoterpene from Plocamium cartilagineum Acta Crystallographica Section C 54(6) (1998) 816-818

301,791

2025-08-18

23:15:31

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/73/2007310.cif $ #-------------------------------------------------------------------...

2,007,311

11.4731

0.0004

12.2009

0.0004

17.6234

0.0007

72.477

0.003

75.764

0.003

62.294

0.002

2,066.3

0.14

298

2

298

2

null

3

P -1

-P 1

2

5-5'-diacetyl-2-2'-diethoxy-3-3'-dimethoxy-1,1'-biphenyl

- C22 H26 O6 -

- C88 H104 O24 -

4

2

BS1044

Ferreira, Márcia A.; Costa, Márcia D. D.; Mendes, Isolda M. C.; Drumond, Mariza G.; Piló-Veloso, Dorila; Fernandes, Nelson G.

Lignin Model Compounds: 4,4'-O-Dimethyldehydrodiacetovanillone and 4,4'-O-Diethyldehydrodiacetovanillone

Acta Crystallographica Section C

1,998

54

6

837

840

10.1107/S0108270197018015

0.71073

MoKα

0.0775

0.0488

null

0.0601

0.0562

null

2.099

2.305

null

has coordinates,has disorder

Ferreira, Márcia A.; Costa, Márcia D. D.; Mendes, Isolda M. C.; Drumond, Mariza G.; Piló-Veloso, Dorila; Fernandes, Nelson G. Lignin Model Compounds: 4,4'-O-Dimethyldehydrodiacetovanillone and 4,4'-O-Diethyldehydrodiacetovanillone Acta Crystallographica Section C 54(6) (1998) 837-840

301,791

2025-08-18

23:15:31

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2,230,038

12.7343

0.0019

13.937

0.002

9.0648

0.0014

90

null

100.893

0.003

90

null

1,579.8

0.4

293

2

293

2

null

4

C 1 2/c 1

-C 2yc

15

1,4-Bis(5-methyl-1H-1,2,4-triazol-3-yl)benzene tetrahydrate

5-methyl-3-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1H- 1,2,4-triazole tetrahydrate

- C12 H20 N6 O4 -

- C48 H80 N24 O16 -

4

0.5

IM2280

Zhu, Ai-Xin; Chen, Xiu-Li; Li, Zhen; Du, Yuan-Chao; Wang, Hong-Can

1,4-Bis(5-methyl-1H-1,2,4-triazol-3-yl)benzene tetrahydrate

Acta Crystallographica Section E

2,011

67

5

o1255

10.1107/S1600536811015133

0.71073

MoKα

0.0615

0.0518

null

0.1395

0.1477

null

1.039

null

has coordinates,has disorder,has Fobs

Zhu, Ai-Xin; Chen, Xiu-Li; Li, Zhen; Du, Yuan-Chao; Wang, Hong-Can 1,4-Bis(5-methyl-1H-1,2,4-triazol-3-yl)benzene tetrahydrate Acta Crystallographica Section E 67(5) (2011) o1255

301,806

2025-08-19

15:27:02

#------------------------------------------------------------------------------ #$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301806 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/00/2230038.cif $ #-------------------------------------------------------------------...

2,007,312

20.09

0.002

7.0879

0.0006

15.414

0.001

90

null

124.513

0.004

90

null

1,808.6

0.3

298

null

298

null

3

C 1 2/c 1

-C 2yc

15

5,5'-diacetyl-2,2',3,3'-tetramethoxy-1,1'-biphenyl

- C20 H22 O6 -

- C80 H88 O24 -

4

0.5

BS1044

Ferreira, Márcia A.; Costa, Márcia D. D.; Mendes, Isolda M. C.; Drumond, Mariza G.; Piló-Veloso, Dorila; Fernandes, Nelson G.

Lignin Model Compounds: 4,4'-O-Dimethyldehydrodiacetovanillone and 4,4'-O-Diethyldehydrodiacetovanillone

Acta Crystallographica Section C

1,998

54

6

837

840

10.1107/S0108270197018015

0.71073

MoKα

0.0602

null

0.0886

null

1.8505

null

has coordinates

Ferreira, Márcia A.; Costa, Márcia D. D.; Mendes, Isolda M. C.; Drumond, Mariza G.; Piló-Veloso, Dorila; Fernandes, Nelson G. Lignin Model Compounds: 4,4'-O-Dimethyldehydrodiacetovanillone and 4,4'-O-Diethyldehydrodiacetovanillone Acta Crystallographica Section C 54(6) (1998) 837-840

301,791

2025-08-18

23:15:31

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/73/2007312.cif $ #-------------------------------------------------------------------...

2,007,313

9.256

0.004

11.917

0.004

23.489

0.008

90

null

94.74

0.03

90

null

2,582.1

1.7

193

2

193

2

null

3

P 1 21/n 1

-P 2yn

14

- C30 H36 O7 -

- C120 H144 O28 -

4

1

CF1215

Pajunen, Aarne; Pirkko Karhunen; Gösta Brunow

7-(4-Hydroxy-3-methoxyphenyl)-6-hydroxymethyl-4,10-dimethoxy-2,8-dipropyl-cis-6,7-dihydrodibenzo[b,d]oxepin-11-ol

Acta Crystallographica Section C

1,998

54

6

885

887

10.1107/S0108270197019811

0.71073

MoKα

0.082

0.064

null

0.194

0.181

null

0.927

0.985

null

has coordinates,has disorder

Pajunen, Aarne; Pirkko Karhunen; Gösta Brunow 7-(4-Hydroxy-3-methoxyphenyl)-6-hydroxymethyl-4,10-dimethoxy-2,8-dipropyl-cis-6,7-dihydrodibenzo[b,d]oxepin-11-ol Acta Crystallographica Section C 54(6) (1998) 885-887

301,791

2025-08-18

23:15:31

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2,007,314

8.7829

0.0007

9.622

0.002

9.8535

0.0011

90

null

92.948

0.008

90

null

831.6

0.2

293

2

293

2

null

5

P 1 21 1

P 2yb

4

N-(tert-Butoxycarbonyl)-3-Amino-4-(Trimethylstannyl)pyridine

- C13 H22 N2 O2 Sn -

- C26 H44 N4 O4 Sn2 -

2

1

CF1218

Crous, Renier; Holzapfel, Cedric W.; Kruger, Gert J.

[3-(tert-Butoxycarbonylamino)-4-pyridyl]trimethyltin(IV), a Tetraorganotin Compound Containing an Unexpected Intramolecular Sn···O Interaction

Acta Crystallographica Section C

1,998

54

6

760

762

10.1107/S0108270197017459

0.7107

MoKα

0.0278

0.0269

null

0.0691

null

1.114

null

has coordinates

Crous, Renier; Holzapfel, Cedric W.; Kruger, Gert J. [3-(tert-Butoxycarbonylamino)-4-pyridyl]trimethyltin(IV), a Tetraorganotin Compound Containing an Unexpected Intramolecular Sn···O Interaction Acta Crystallographica Section C 54(6) (1998) 760-762

201,955

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-10-13 03:08:28 +0300 (Fri, 13 Oct 2017) $ #$Revision: 201955 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/73/2007314.cif $ #-------------------------------------------------------------------...

2,230,037

9.462

0.002

11.229

0.003

11.832

0.003

82.91

0.003

77.048

0.003

74.536

0.003

1,178.1

0.5

293

2

293

2

null

6

P -1

-P 1

2

8-(2,2,2-Trifluoroethoxy)quinolinium perchlorate– 8-(2,2,2-trifluoroethoxy)quinoline (1/1)

- C22 H17 Cl F6 N2 O6 -

- C44 H34 Cl2 F12 N4 O12 -

2

1

IM2278

Wu, Jun; Chen, Lu-Sheng; Liu, Qi-Kui; Guo, Dian-Shun

8-(2,2,2-Trifluoroethoxy)quinolinium perchlorate–8-(2,2,2-trifluoroethoxy)quinoline (1/1)

Acta Crystallographica Section E

2,011

67

5

o1131

o1132

10.1107/S1600536811013250

0.71073

MoKα

0.0657

0.0504

null

0.1261

0.1367

null

1.022

null

has coordinates,has disorder,has Fobs

Wu, Jun; Chen, Lu-Sheng; Liu, Qi-Kui; Guo, Dian-Shun 8-(2,2,2-Trifluoroethoxy)quinolinium perchlorate–8-(2,2,2-trifluoroethoxy)quinoline (1/1) Acta Crystallographica Section E 67(5) (2011) o1131-o1132

301,806

2025-08-19

15:27:02

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2,007,315

8.825

0.002

16.518

0.002

7.368

0.002

90

null

111.39

0.02

90

null

1,000.1

0.4

293

2

293

2

null

5

P 1 21/c 1

-P 2ybc

14

5,5'-Dibromo-2,2'-dihydroxy-3,3'-(piperazine-1,4-diyldimethylene) dibenzaldehyde

- C20 H20 Br2 N2 O4 -

- C40 H40 Br4 N4 O8 -

2

0.5

CF1222

R.Thirumurugan; S.Shanmuga Sundara Raj; G.Shanmugam; Hoong-Kun Fun; K.Chinnakali; Suchada Chantrapromma; M.Marappan; M.Kandaswamy

5,5'-Dibromo-2,2'-dihydroxy-3,3'-(piperazine-1,4-diyldimethylene)dibenzaldehyde

Acta Crystallographica Section C

1,998

54

6

780

781

10.1107/S0108270198000614

0.71073

MoKα

0.0653

0.034

null

0.098

0.0805

null

0.935

1.028

null

has coordinates

R.Thirumurugan; S.Shanmuga Sundara Raj; G.Shanmugam; Hoong-Kun Fun; K.Chinnakali; Suchada Chantrapromma; M.Marappan; M.Kandaswamy 5,5'-Dibromo-2,2'-dihydroxy-3,3'-(piperazine-1,4-diyldimethylene)dibenzaldehyde Acta Crystallographica Section C 54(6) (1998) 780-781

301,791

2025-08-18

23:15:31

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/73/2007315.cif $ #-------------------------------------------------------------------...

2,007,316

7.102

0.0004

12.7094

0.0006

28.213

0.002

90

null

92.076

0.001

90

null

2,544.9

0.3

296

null

296

null

5

P 1 21/n 1

-P 2yn

14

bis(8-methylaminoquinolinium) dimethyltetrachlorostannate(IV)

- C22 H28 Cl4 N4 Sn -

- C88 H112 Cl16 N16 Sn4 -

4

1

CF1224

Hazell, Alan; Khoo, Lian Ee; Ouyang, Jiexiang; Rausch, Bernhard J.; Tavares, Zara Miravent

8-Methylaminoquinolinium Salts of Tetrachlorodimethylstannate(IV) and Tetrachlorodiphenylstannate(IV)

Acta Crystallographica Section C

1,998

54

6

728

732

10.1107/S0108270198000626

0.71073

MoKα

null

0.034

null

0.048

null

1.324

null

has coordinates,has Fobs

Hazell, Alan; Khoo, Lian Ee; Ouyang, Jiexiang; Rausch, Bernhard J.; Tavares, Zara Miravent 8-Methylaminoquinolinium Salts of Tetrachlorodimethylstannate(IV) and Tetrachlorodiphenylstannate(IV) Acta Crystallographica Section C 54(6) (1998) 728-732

190,732

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-01-19 18:22:45 +0200 (Thu, 19 Jan 2017) $ #$Revision: 190732 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/73/2007316.cif $ #-------------------------------------------------------------------...

2,007,317

13.7689

0.0006

12.087

0.0005

18.7926

0.0008

90

null

92.641

0.001

90

null

3,124.2

0.2

296

null

296

null

5

C 1 2/c 1

-C 2yc

15

bis(8-methylaminoquinolinium) diphenyltetrachlorostannate(IV)

- C32 H32 Cl4 N4 Sn -

- C128 H128 Cl16 N16 Sn4 -

4

0.5

CF1224

Hazell, Alan; Khoo, Lian Ee; Ouyang, Jiexiang; Rausch, Bernhard J.; Tavares, Zara Miravent

8-Methylaminoquinolinium Salts of Tetrachlorodimethylstannate(IV) and Tetrachlorodiphenylstannate(IV)

Acta Crystallographica Section C

1,998

54

6

728

732

10.1107/S0108270198000626

0.71073

MoKα

null

0.02

null

0.033

null

1.198

null

has coordinates,has Fobs

Hazell, Alan; Khoo, Lian Ee; Ouyang, Jiexiang; Rausch, Bernhard J.; Tavares, Zara Miravent 8-Methylaminoquinolinium Salts of Tetrachlorodimethylstannate(IV) and Tetrachlorodiphenylstannate(IV) Acta Crystallographica Section C 54(6) (1998) 728-732

190,732

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-01-19 18:22:45 +0200 (Thu, 19 Jan 2017) $ #$Revision: 190732 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/73/2007317.cif $ #-------------------------------------------------------------------...

2,230,036

10.8699

0.0004

11.3387

0.0004

19.6264

0.0007

90

null

122.133

0.002

90

null

2,048.42

0.14

295

2

295

2

null

5

P 1 21/c 1

-P 2ybc

14

N,N-Dibenzoylferrocenecarboxamide

- C25 H19 Fe N O3 -

- C100 H76 Fe4 N4 O12 -

4

1

IM2277

Cetina, Mario; Kovač, Veronika; Rapić, Vladimir

N,N-Dibenzoylferrocenecarboxamide

Acta Crystallographica Section E

2,011

67

5

m610

10.1107/S1600536811013754

0.71073

MoKα

0.0683

0.0324

null

0.0647

0.0683

null

0.93

null

has coordinates,has Fobs

Cetina, Mario; Kovač, Veronika; Rapić, Vladimir N,N-Dibenzoylferrocenecarboxamide Acta Crystallographica Section E 67(5) (2011) m610

176,798

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-21 02:03:34 +0200 (Sun, 21 Feb 2016) $ #$Revision: 176798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/00/2230036.cif $ #-------------------------------------------------------------------...

2,007,318

7.753

0.002

11.126

0.002

18.281

0.003

90

null

90

null

90

null

1,576.9

0.6

220

2

220

2

null

5

P 21 21 21

P 2ac 2ab

19

[1-(4-Chlorophenyl)-3-(4-methoxyphenyl)pyrazol-5-yl]acetonitrile

- C18 H14 Cl N3 O -

- C72 H56 Cl4 N12 O4 -

4

1

CF1231

Malhotra, Sanjay; Vats, Archana; Parmar, Virinder S.; Errington, William

[1-(4-Chlorophenyl)-3-(4-methoxyphenyl)pyrazol-5-yl]acetonitrile

Acta Crystallographica Section C

1,998

54

6

844

846

10.1107/S0108270198000717

0.71073

MoKα

0.0407

0.032

null

0.08

null

1.037

null

has coordinates,has Fobs

Malhotra, Sanjay; Vats, Archana; Parmar, Virinder S.; Errington, William [1-(4-Chlorophenyl)-3-(4-methoxyphenyl)pyrazol-5-yl]acetonitrile Acta Crystallographica Section C 54(6) (1998) 844-846

301,791

2025-08-18

23:15:31

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2,007,319

26.3

0.006

15.596

0.002

16.936

0.004

90

null

90

null

90

null

6,947

2

295

1

295

1

null

6

C 2 2 21

C 2c 2

null

Compound Cubpsac

- C34 H28 Cu N6 O8 S2 -

- C272 H224 Cu8 N48 O64 S16 -

8

1

CF1234

Grupče, Orhideja; Jovanovski, Gligor; Šoptrajanov, Bojan; Hergold-Brundić, Antonija

Structure of Bis(2,2'-bipyridyl)(saccharinato-N)copper(II) Saccharinate Dihydrate. Addendum

Acta Crystallographica Section C

1,998

54

6

890

891

10.1107/S0108270198005897

1.54178

CuKα

null

0.063

null

0.083

null

0.704

null

has coordinates

Grupče, Orhideja; Jovanovski, Gligor; Šoptrajanov, Bojan; Hergold-Brundić, Antonija Structure of Bis(2,2'-bipyridyl)(saccharinato-N)copper(II) Saccharinate Dihydrate. Addendum Acta Crystallographica Section C 54(6) (1998) 890-891

301,791

2025-08-18

23:15:31

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/73/2007319.cif $ #-------------------------------------------------------------------...

2,007,320

14.669

0.007

10.722

0.008

10.802

0.006

90

null

99.55

0.08

90

null

1,675.4

1.8

293

2

293

2

null

4

P 1 21/c 1

-P 2ybc

14

N-(2-(N-Oxido-N'-hydroxydiazinyl)-3-methylbutyl)octanamide

- C13 H27 N3 O3 -

- C52 H108 N12 O12 -

4

1

DE1075

Chang, Rakwoo; Shin, Whanchul

N-[2-(N'-Hydroxy-N-oxidodiaziniumyl)-3-methylbutyl]octanamide

Acta Crystallographica Section C

1,998

54

6

827

829

10.1107/S0108270198000729

1.5418

CuKα

0.111

0.067

null

0.198

0.159

null

1.028

1.083

null

has coordinates

Chang, Rakwoo; Shin, Whanchul N-[2-(N'-Hydroxy-N-oxidodiaziniumyl)-3-methylbutyl]octanamide Acta Crystallographica Section C 54(6) (1998) 827-829

301,791

2025-08-18

23:15:31

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/73/2007320.cif $ #-------------------------------------------------------------------...

2,007,321

9.686

0.003

17.868

0.004

9.636

0.004

87.27

0.02

116.3

0.03

92.66

0.02

1,492.8

0.9

293

2

293

2

null

5

P -1

-P 1

2

Hexa(p-Anisidinium) Cyclohexaphosphate Tétrahydrate

- C42 H68 N6 O28 P6 -

- C41.98 H56 N6 O28 P6 -

1

0.5

DU1176

Ould Abdellahi, Mohamed; Ben Amor, Fatma; Driss, Ahmed; Jouini, Tahar

Hexakis(p-anisidinium) cyclo-Hexaphosphate Tétrahydrate

Acta Crystallographica Section C

1,998

54

6

813

816

10.1107/S0108270197011888

1.54178

CuKα

0.058

0.048

null

0.141

0.132

null

1.068

1.1

null

has coordinates

Ould Abdellahi, Mohamed; Ben Amor, Fatma; Driss, Ahmed; Jouini, Tahar Hexakis(p-anisidinium) cyclo-Hexaphosphate Tétrahydrate Acta Crystallographica Section C 54(6) (1998) 813-816

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/73/2007321.cif $ #-------------------------------------------------------------------...

2,007,322

8.291

0.001

26.735

0.005

8.567

0.001

90

null

114.49

0.02

90

null

1,728.1

0.5

293

2

291

2

null

3

P 1 21/c 1

-P 2ybc

14

- C18 H2 F16 -

- C72 H8 F64 -

4

1

FG1361

Swenson, Dale C.; Yamamoto, Michiharu; Burton, Donald J.

3,4,5,6-Tetrafluoro-1,2,7,8-tetrakis(trifluoromethyl)phenanthrene and 3,4,7,8-Tetrafluoro-1,2,5,6-tetrakis(trifluoromethyl)anthracene

Acta Crystallographica Section C

1,998

54

6

846

849

10.1107/S0108270197019951

0.7107

MoKα

0.08

0.044

null

0.14

0.11

null

1.1

1.065

null

has coordinates,has disorder

Swenson, Dale C.; Yamamoto, Michiharu; Burton, Donald J. 3,4,5,6-Tetrafluoro-1,2,7,8-tetrakis(trifluoromethyl)phenanthrene and 3,4,7,8-Tetrafluoro-1,2,5,6-tetrakis(trifluoromethyl)anthracene Acta Crystallographica Section C 54(6) (1998) 846-849

301,791

2025-08-18

23:15:31

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/73/2007322.cif $ #-------------------------------------------------------------------...

2,230,035

5.8827

0.0005

8.3326

0.0007

51.909

0.004

90

null

90

null

90

null

2,544.5

0.4

296

2

296

2

null

3

P 21 21 21

P 2ac 2ab

19

2-{(E)-N-[2-(1H-Inden-3-yl)ethyl]iminomethyl}-1H- imidazole

- C15 H15 N3 -

- C120 H120 N24 -

8

2

IM2276

Li, Zhao; Tian, Chong; Nie, Wanli; Borzov, Maxim V.

2-{(E)-N-[2-(1H-Inden-3-yl)ethyl]iminomethyl}-1H-imidazole

Acta Crystallographica Section E

2,011

67

5

o1165

o1166

10.1107/S1600536811013286

0.71073

MoKα

0.0635

0.0443

null

0.1049

0.1131

null

1.028

null

has coordinates,has Fobs

Li, Zhao; Tian, Chong; Nie, Wanli; Borzov, Maxim V. 2-{(E)-N-[2-(1H-Inden-3-yl)ethyl]iminomethyl}-1H-imidazole Acta Crystallographica Section E 67(5) (2011) o1165-o1166

301,806

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15:27:02

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2,007,323

8.268

0.001

8.469

0.002

8.274

0.002

126.06

0.02

110.62

0.02

90.19

0.02

421

0.2

291

2

293

2

null

3

P -1

-P 1

2

- C18 H2 F16 -

1

0.5

FG1361

Swenson, Dale C.; Yamamoto, Michiharu; Burton, Donald J.

3,4,5,6-Tetrafluoro-1,2,7,8-tetrakis(trifluoromethyl)phenanthrene and 3,4,7,8-Tetrafluoro-1,2,5,6-tetrakis(trifluoromethyl)anthracene

Acta Crystallographica Section C

1,998

54

6

846

849

10.1107/S0108270197019951

0.7107

MoKα

0.045

0.036

null

0.117

0.104

null

1.11

1.112

null

has coordinates,has disorder

Swenson, Dale C.; Yamamoto, Michiharu; Burton, Donald J. 3,4,5,6-Tetrafluoro-1,2,7,8-tetrakis(trifluoromethyl)phenanthrene and 3,4,7,8-Tetrafluoro-1,2,5,6-tetrakis(trifluoromethyl)anthracene Acta Crystallographica Section C 54(6) (1998) 846-849

301,791

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23:15:31

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2,007,324

9.386

0.002

27.5

0.001

10.316

0.002

90

null

115.51

0.02

90

null

2,403.1

0.8

296

null

296

null

3

P 1 21/c 1

-P 2ybc

14

α,α',α''-trimethyl-1,3,5-benzenetrimethanol

- C12 H18 O3 -

- C96 H144 O24 -

8

2

FG1397

Blackburn, Anthony C.; Gerkin, Roger E.

Hydrogen-Bonding Patterns in a Centrosymmetric Structure with Z' = 2: α,α',α''-Trimethyl-1,3,5-benzenetrimethanol

Acta Crystallographica Section C

1,998

54

6

792

795

10.1107/S0108270197019975

0.71073

MoKα

null

0.071

null

0.083

null

2.11

null

has coordinates,has Fobs

Blackburn, Anthony C.; Gerkin, Roger E. Hydrogen-Bonding Patterns in a Centrosymmetric Structure with Z' = 2: α,α',α''-Trimethyl-1,3,5-benzenetrimethanol Acta Crystallographica Section C 54(6) (1998) 792-795

176,759

2020-10-21

18:00:00

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2,007,325

10.8768

0.0015

11.238

0.002

11.6786

0.0008

97.929

0.008

110.895

0.007

109.635

0.009

1,201

0.3

293

2

293

2

null

4

P -1

-P 1

2

adduct of 1,10-Phenanthroline and 1,1'-Binaphthyl-2,2'-diol

- C32 H22 N2 O2 -

- C64 H44 N4 O4 -

2

1

FG1399

García-Martínez, Emilia; Vázquez-López, Ezequiel M.; Tuck, Dennis G.

Hydrogen Bonding in the 1:1 Adduct of 1,10-Phenanthroline and 1,1'-Binaphthyl-2,2'-diol

Acta Crystallographica Section C

1,998

54

6

840

842

10.1107/S0108270197019987

1.54184

CuKα

0.1

0.042

null

0.129

null

1.016

null

has coordinates

García-Martínez, Emilia; Vázquez-López, Ezequiel M.; Tuck, Dennis G. Hydrogen Bonding in the 1:1 Adduct of 1,10-Phenanthroline and 1,1'-Binaphthyl-2,2'-diol Acta Crystallographica Section C 54(6) (1998) 840-842

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2,230,034

9.3788

0.0016

11.712

0.002

14.768

0.003

97.904

0.002

95.614

0.001

107.738

0.002

1,513.5

0.5

298

2

298

2

null

5

P -1

-P 1

2

5,17-Dibromo-26,28-dihydroxy-25,27-dipropoxy-2,8,14,20-tetrathiacalix[4]arene

- C30 H26 Br2 O4 S4 -

- C60 H52 Br4 O8 S8 -

2

1

IM2275

Liu, Ling-Ling; Chen, Lu-Sheng; Ma, Jian-Ping; Guo, Dian-Shun

5,17-Dibromo-26,28-dihydroxy-25,27-dipropoxy-2,8,14,20-tetrathiacalix[4]arene

Acta Crystallographica Section E

2,011

67

5

o1110

o1111

10.1107/S1600536811013043

0.71073

MoKα

0.0582

0.0405

null

0.1

0.1076

null

1.051

null

has coordinates,has Fobs

Liu, Ling-Ling; Chen, Lu-Sheng; Ma, Jian-Ping; Guo, Dian-Shun 5,17-Dibromo-26,28-dihydroxy-25,27-dipropoxy-2,8,14,20-tetrathiacalix[4]arene Acta Crystallographica Section E 67(5) (2011) o1110-o1111

301,806

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2,007,326

9.8504

0.0007

15.1177

0.001

11.9574

0.0008

90

null

95.831

0.001

90

null

1,771.4

0.2

293

2

293

2

null

6

P 1 21/n 1

-P 2yn

14

Chloro(1,4,8,12- tetraazacyclopentadecane-N,N',N'',N''')zinc(II) Perchlorate

- C11 H26 Cl2 N4 O4 Zn -

- C44 H104 Cl8 N16 O16 Zn4 -

4

1

FG1404

Panneerselvam, Kaliyamoorthy; Lu, Tian-Huey; Chi, Ta-Yung; Pariya, Chandi; Liao, Fen-Ling; Chung, Chung-Sun

Chloro(1,4,8,12-tetraazacyclopentadecane-κ^4^N)zinc(II) Perchlorate

Acta Crystallographica Section C

1,998

54

6

712

714

10.1107/S0108270197019999

0.71073

MoKα

0.115

0.063

null

0.131

0.112

null

1.083

1.182

null

has coordinates

Panneerselvam, Kaliyamoorthy; Lu, Tian-Huey; Chi, Ta-Yung; Pariya, Chandi; Liao, Fen-Ling; Chung, Chung-Sun Chloro(1,4,8,12-tetraazacyclopentadecane-κ^4^N)zinc(II) Perchlorate Acta Crystallographica Section C 54(6) (1998) 712-714

176,759

2020-10-21

18:00:00

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