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

2,012,160

7.4215

0.0005

12.6755

0.0009

16.4638

0.0011

90

null

90

null

90

null

1,548.77

0.18

296

2

296

2

null

5

P b c a

-P 2ac 2ab

61

2-Iodo-4-nitroaniline

- C6 H5 I N2 O2 -

- C48 H40 I8 N16 O16 -

8

1

SK1480

McWilliam, Susan A.; Skakle, Janet M.S.; Low, John N.; Wardell, James L.; Garden, Simon J.; Pinto, Angelo C.; Torres, Jose C.; Glidewell, Christopher

Triclinic and orthorhombic polymorphs of 2-iodo-4-nitroaniline: interplay of hydrogen bonds, nitro···I interactions and aromatic π–π-stacking interactions

Acta Crystallographica Section C

2,001

57

8

942

945

10.1107/S0108270101007053

0.71073

MoKα

0.1376

0.0631

null

0.1798

null

0.961

null

has coordinates,has Fobs

McWilliam, Susan A.; Skakle, Janet M.S.; Low, John N.; Wardell, James L.; Garden, Simon J.; Pinto, Angelo C.; Torres, Jose C.; Glidewell, Christopher Triclinic and orthorhombic polymorphs of 2-iodo-4-nitroaniline: interplay of hydrogen bonds, nitro···I interactions and aromatic π–π-stacking interactions Acta Crystallog...

301,798

2025-08-19

6:41:49

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2,012,161

14.7077

0.0005

10.1602

0.0004

6.7878

0.0002

90

null

90

null

90

null

1,014.32

0.06

150

2

150

2

null

4

P c a 21

P 2c -2ac

29

2-Nitrodiphenylamine

- C12 H10 N2 O2 -

- C48 H40 N8 O8 -

4

1

SK1481

McWilliam, Susan A.; Skakle, Janet M. S.; Wardell, James L.; Low, John Nicolson; Glidewell, Christopher

Hydrogen-bonded chains in N-(2-nitrophenyl)phenylamine

Acta Crystallographica Section C

2,001

57

8

946

948

10.1107/S0108270101008010

0.71073

MoKα

0.0568

0.0456

null

0.111

null

1.075

null

has coordinates,has Fobs

McWilliam, Susan A.; Skakle, Janet M. S.; Wardell, James L.; Low, John Nicolson; Glidewell, Christopher Hydrogen-bonded chains in N-(2-nitrophenyl)phenylamine Acta Crystallographica Section C 57(8) (2001) 946-948

301,798

2025-08-19

6:41:49

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2,012,162

5.9217

0.0004

8.9858

0.0005

8.9987

0.0006

61.73

0.003

81.885

0.003

81.448

0.004

415.65

0.05

293

2

293

2

null

5

P -1

-P 1

2

N,N'-Dimethylpiperazinium (2+) phosphonoacetate

- C10 H24 N2 O10 P2 -

1

0.5

SK1482

Farrell, Dorcas M. M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher

N,N'-Dimethylpiperazinium(2+) phosphonoacetate: hydrogen-bonded anion sheets containing cation-templated R~6~^6^(28) rings

Acta Crystallographica Section C

2,001

57

8

952

954

10.1107/S0108270101008022

0.71073

MoKα

0.0777

0.0453

null

0.1245

null

1.04

null

has coordinates,has Fobs

Farrell, Dorcas M. M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher N,N'-Dimethylpiperazinium(2+) phosphonoacetate: hydrogen-bonded anion sheets containing cation-templated R~6~^6^(28) rings Acta Crystallographica Section C 57(8) (2001) 952-954

176,760

2020-10-21

18:00:00

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2,012,163

7.736

0.0002

10.2394

0.0004

29.7822

0.0011

90

null

90

null

90

null

2,359.11

0.14

150

2

150

2

null

4

P b c a

-P 2ac 2ab

61

Piperazinium(2+) bis(mandelate) bis(methanol) solvate

- C22 H34 N2 O8 -

- C88 H136 N8 O32 -

4

0.5

SK1483

Farrell, Dorcas M. M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher

Hydrogen-bonded bilayers in piperazinium(2+) bis(mandelate) bis(methanol) solvate

Acta Crystallographica Section C

2,001

57

8

955

957

10.1107/S0108270101007922

0.71073

MoKα

0.127

0.048

null

0.133

null

0.909

null

has coordinates,has disorder,has Fobs

Farrell, Dorcas M. M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher Hydrogen-bonded bilayers in piperazinium(2+) bis(mandelate) bis(methanol) solvate Acta Crystallographica Section C 57(8) (2001) 955-957

176,760

2020-10-21

18:00:00

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2,012,164

4.964

0.0015

6.346

0.002

7.336

0.002

90

null

107.25

0.02

90

null

220.7

0.12

150

2

150

2

null

5

P 1 21/m 1

-P 2yb

11

Sodium 2-nitroethanaloximate

- C2 H3 N2 Na O3 -

- C4 H6 N4 Na2 O6 -

2

0.5

SK1484

Ferguson, George; Lough, Alan J.; Smith, David M.; Zakaria, Choudhury M.; Glidewell, Christopher

Sodium 2-nitroethanaloximate forms a layered-framework structure

Acta Crystallographica Section C

2,001

57

8

922

923

10.1107/S0108270101008125

0.71073

MoKα

0.0778

0.0591

null

0.1615

null

1.069

null

has coordinates,has Fobs

Ferguson, George; Lough, Alan J.; Smith, David M.; Zakaria, Choudhury M.; Glidewell, Christopher Sodium 2-nitroethanaloximate forms a layered-framework structure Acta Crystallographica Section C 57(8) (2001) 922-923

176,760

2020-10-21

18:00:00

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2,012,165

19.9616

0.0004

13.8047

0.0004

12.1531

0.0003

90

null

90.508

0.001

90

null

3,348.82

0.14

293

2

293

2

null

6

C 1 2/c 1

-C 2yc

15

- C20 H48 Cl2 Mn2 N9 O13 -

- C80 H192 Cl8 Mn8 N36 O52 -

4

0.5

SK1485

Lu, Ying-Hong; Fun, Hoong-Kun; Chantrapromma, Suchada; Razak, Ibrahim Abdul; Shen, Zhen; Zuo, Jing-Lin; You, Xiao-Zeng

A mixed-valence manganese(III)‒manganese(IV) di-μ-oxo complex, [(cyclam)MnO]~2~(ClO~4~)~2~(NO~3~)

Acta Crystallographica Section C

2,001

57

8

911

913

10.1107/S0108270101008617

0.71073

MoKα

0.0564

0.0493

null

0.1495

null

1.07

null

has coordinates,has Fobs

Lu, Ying-Hong; Fun, Hoong-Kun; Chantrapromma, Suchada; Razak, Ibrahim Abdul; Shen, Zhen; Zuo, Jing-Lin; You, Xiao-Zeng A mixed-valence manganese(III)‒manganese(IV) di-μ-oxo complex, [(cyclam)MnO]~2~(ClO~4~)~2~(NO~3~) Acta Crystallographica Section C 57(8) (2001) 911-913

176,760

2020-10-21

18:00:00

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2,012,166

6.887

0.0014

12.851

0.003

22.462

0.005

90

null

90

null

90

null

1,988

0.8

293

2

293

2

null

4

P 21 21 21

P 2ac 2ab

19

N-Z-Pro-D-Leu

N-benzyloxycarbonyl-prolyl-D-leucine

- C19 H26 N2 O5 -

- C76 H104 N8 O20 -

4

1

SX1122

Birkedal, Henrik; Schwarzenbach, Dieter; Pattison, Philip

N-Z-Pro–D-Leu using synchrotron radiation data from a very small crystal

Acta Crystallographica Section C

2,001

57

8

975

977

10.1107/S0108270101008319

0.8008

synchrotron

0.0448

0.0364

null

0.1044

null

1.045

null

has coordinates,has Fobs

Birkedal, Henrik; Schwarzenbach, Dieter; Pattison, Philip N-Z-Pro–D-Leu using synchrotron radiation data from a very small crystal Acta Crystallographica Section C 57(8) (2001) 975-977

301,798

2025-08-19

6:41:49

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2,012,167

7.803

0.001

15.353

0.002

6.985

0.001

112.3

0.01

74.44

0.01

111.84

0.01

710.73

0.18

293

2

293

2

null

4

P 1

1

MEM(TCNQ)2

1:2 Complex of N-Ethyl-N-methylmorpholine and 7,7,8,8-Tetracyano-p-quinodimethane

- C31 H24 N9 O -

1

TA1335

Figgis, Brian N.; Sobolev, Alexandre N.; Kepert, Cameron J.; Kurmoo, Mohamedally

MEM(TCNQ)~2~ at room temperature and 10K, and the absence of a spin-Peierls transition

Acta Crystallographica Section C

2,001

57

8

991

993

10.1107/S0108270101008794

0.71073

MoKα

0.0725

0.0489

null

0.158

null

1.038

null

has coordinates,has disorder,has Fobs

Figgis, Brian N.; Sobolev, Alexandre N.; Kepert, Cameron J.; Kurmoo, Mohamedally MEM(TCNQ)~2~ at room temperature and 10K, and the absence of a spin-Peierls transition Acta Crystallographica Section C 57(8) (2001) 991-993

176,760

2020-10-21

18:00:00

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2,012,168

7.773

0.001

15.315

0.002

6.8347

0.0009

113.249

0.008

73.569

0.009

111.796

0.009

685.2

0.16

10

0.5

10

0.5

null

4

P 1

1

MEM(TCNQ)2

1:2 Complex of N-Ethyl-N-methylmorpholine and 7,7,8,8-Tetracyano-p-quinodimethane

- C31 H24 N9 O -

1

TA1335

Figgis, Brian N.; Sobolev, Alexandre N.; Kepert, Cameron J.; Kurmoo, Mohamedally

MEM(TCNQ)~2~ at room temperature and 10K, and the absence of a spin-Peierls transition

Acta Crystallographica Section C

2,001

57

8

991

993

10.1107/S0108270101008794

0.71073

MoKα

0.0309

0.0304

null

0.0853

null

1.031

null

has coordinates,has Fobs

Figgis, Brian N.; Sobolev, Alexandre N.; Kepert, Cameron J.; Kurmoo, Mohamedally MEM(TCNQ)~2~ at room temperature and 10K, and the absence of a spin-Peierls transition Acta Crystallographica Section C 57(8) (2001) 991-993

176,760

2020-10-21

18:00:00

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2,012,169

9.1535

0.0011

17.337

0.002

16.637

0.002

90

null

100.031

0.002

90

null

2,599.8

0.5

298

2

298

2

null

5

P 1 21/n 1

-P 2yn

14

Di-μ-phenylthiobis[bis(η^5^-methylcyclopentadienyl)(tetrahydrofuran) lanthanum(III)] bis(tetrahydrofuran) solvate

- C52 H70 La2 O4 S2 -

- C104 H140 La4 O8 S4 -

2

0.5

VJ1111

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

Di-μ-phenylthio-bis[bis(η^5^-methylcyclopentadienyl)(tetrahydrofuran)lanthanum(III)] bis(tetrahydrofuran) solvate

Acta Crystallographica Section C

2,001

57

8

887

888

10.1107/S0108270100017996

0.71073

MoKα

0.0475

0.0345

null

0.0972

null

1.067

null

has coordinates,has Fobs

Li, Huanrong; Yao, Yingming; Shen, Qi; Weng, Linhong Di-μ-phenylthio-bis[bis(η^5^-methylcyclopentadienyl)(tetrahydrofuran)lanthanum(III)] bis(tetrahydrofuran) solvate Acta Crystallographica Section C 57(8) (2001) 887-888

176,760

2020-10-21

18:00:00

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2,012,170

9.2347

0.0013

9.6814

0.0013

14.588

0.002

90

null

95.948

0.002

90

null

1,297.2

0.3

296

2

296

2

null

7

P 1 c 1

P -2yc

7

(Nitro-κN)[2-(phenyldiazenyl-κN^2^)pyridine-κN] (2,2',6',2''-terpyridine-κ^3^N)ruthenium(II) tetrafluoroborate

- C26 H20 B F4 N7 O2 Ru -

- C52 H40 B2 F8 N14 O4 Ru2 -

2

1

VJ1141

Hansongnern, Kanidtha; Saeteaw, Uraiwan; Cheng, Jack; Liao, Fen-Ling; Lu, Tian-Huey

(Nitro-κN)[2-(phenyldiazenyl-κN^2^)pyridine-κN](2,2':6',2''-terpyridine-κ^3^N)ruthenium(II) tetrafluoroborate

Acta Crystallographica Section C

2,001

57

8

895

896

10.1107/S0108270101007715

0.71073

MoKα

0.029

0.027

null

0.068

null

1.012

null

has coordinates,has Fobs

Hansongnern, Kanidtha; Saeteaw, Uraiwan; Cheng, Jack; Liao, Fen-Ling; Lu, Tian-Huey (Nitro-κN)[2-(phenyldiazenyl-κN^2^)pyridine-κN](2,2':6',2''-terpyridine-κ^3^N)ruthenium(II) tetrafluoroborate Acta Crystallographica Section C 57(8) (2001) 895-896

301,798

2025-08-19

6:41:49

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2,012,171

8.0486

0.0001

9.6105

0.0001

9.6204

0.0001

60.1766

0.0006

66.7586

0.0007

85.3542

0.0007

586.973

0.013

293

1

293

1

null

3

P -1

-P 1

2

TIM

1,3,5-triiodo-2,4,6-trimethylbenzene

- C9 H9 I3 -

- C18 H18 I6 -

2

1

AV1075

Boudjada, Ali; Hernandez, Olivier; Meinnel, Jean; Mani, Mohammed; Paulus, Werner

1,3,5-Triiodo-2,4,6-trimethylbenzene at 293K

Acta Crystallographica Section C

2,001

57

9

1106

1108

10.1107/S0108270101010113

0.71073

MoKα

null

0.03

null

0.03

null

1.118

null

has coordinates

Boudjada, Ali; Hernandez, Olivier; Meinnel, Jean; Mani, Mohammed; Paulus, Werner 1,3,5-Triiodo-2,4,6-trimethylbenzene at 293K Acta Crystallographica Section C 57(9) (2001) 1106-1108

301,798

2025-08-19

6:41:49

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2,012,172

15.743

0.005

17.549

0.006

19.945

0.007

91.051

0.007

108.916

0.006

111.094

0.006

4,806

3

110

1

110

1

null

5

P -1

-P 1

2

bis(μ-3,5-di-tert-butylcatecholato-O^1^:O^1^,O^2^)bis[tripyridinecadmium(II)] dipyridine solvate

- C68 H80 Cd2 N8 O4 -

- C204 H240 Cd6 N24 O12 -

3

1.5

AV1076

Fukin, Georgy K.; Zakharov, Lev N.; Maslennikov, Stanislav V.; Piskunov, Alexander V.; Cherkasov, Vladimir K.

Bis(μ-3,5-di-tert-butylcatecholato-O^1^:O^1^,O^2^)bis[tris(pyridine-N)cadmium(II)] dipyridine solvate

Acta Crystallographica Section C

2,001

57

9

1020

1021

10.1107/S010827010100854X

0.71073

MoKα

0.089

0.05

null

0.133

null

0.964

null

has coordinates,has Fobs

Fukin, Georgy K.; Zakharov, Lev N.; Maslennikov, Stanislav V.; Piskunov, Alexander V.; Cherkasov, Vladimir K. Bis(μ-3,5-di-tert-butylcatecholato-O^1^:O^1^,O^2^)bis[tris(pyridine-N)cadmium(II)] dipyridine solvate Acta Crystallographica Section C 57(9) (2001) 1020-1021

301,798

2025-08-19

6:41:49

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2,012,173

9.563

0.004

9.703

0.004

12.031

0.006

93.99

0.04

105.09

0.04

103.66

0.04

1,037.1

0.9

293

2

293

2

null

4

P -1

-P 1

2

Methyl isopropyl 2-methoxyiminomethyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydro- pyridine-3,5-dicarboxylate

- C20 H23 N3 O7 -

- C40 H46 N6 O14 -

2

1

AV1077

Vrábel, Viktor; Lehotay, Jozef; Oktavec, Drahomír; Marchalín, Štefan

3-Methyl 5-isopropyl 2-methoxyiminomethyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Acta Crystallographica Section C

2,001

57

9

1073

1074

10.1107/S0108270101009313

0.71069

MoKα

0.1919

0.0518

null

0.068

null

0.783

null

has coordinates,has Fobs

Vrábel, Viktor; Lehotay, Jozef; Oktavec, Drahomír; Marchalín, Štefan 3-Methyl 5-isopropyl 2-methoxyiminomethyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Acta Crystallographica Section C 57(9) (2001) 1073-1074

301,798

2025-08-19

6:41:49

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2,012,174

9.213

0.003

7.761

0.001

10.18

0.002

90

null

118.04

0.02

90

null

642.5

0.3

293

2

293

2

null

4

P 1 21/c 1

-P 2ybc

14

5-Nitro-2-nitromethyl-2H-1,2,3,4-tetrazole

- C2 H2 N6 O4 -

- C8 H8 N24 O16 -

4

1

AV1078

Vasiliev, Alexander D.; Astachov, Alexander M.; Golubtsova, Oksana A.; Pekhotin, Konstantin V.; Rogozin, Mark V.; Kruglyakova, Ludmila A.; Stepanov, Rudolf S.

5-Nitro-2-nitromethyl-2H-1,2,3,4-tetrazole

Acta Crystallographica Section C

2,001

57

9

1101

1102

10.1107/S0108270101010125

1.5418

CuKα

0.047

0.038

null

0.108

null

1.094

null

has coordinates,has Fobs

Vasiliev, Alexander D.; Astachov, Alexander M.; Golubtsova, Oksana A.; Pekhotin, Konstantin V.; Rogozin, Mark V.; Kruglyakova, Ludmila A.; Stepanov, Rudolf S. 5-Nitro-2-nitromethyl-2H-1,2,3,4-tetrazole Acta Crystallographica Section C 57(9) (2001) 1101-1102

301,798

2025-08-19

6:41:49

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2,012,175

11.1176

0.0001

11.5112

0.0001

17.1203

0.0001

90

null

95.346

0.001

90

null

2,181.47

0.03

298

2

298

2

null

6

P 1 21/n 1

-P 2yn

14

Bis[μ-1,2-benzisothiazol-3(2H)-one 1,1-dioxido-κN:κO]bis{[1,2-benzisothiazol-3(2H)-one 1,1-dixoido-κN]bis(imidazole)copper(II)}

- C40 H32 Cu2 N12 O12 S4 -

- C80 H64 Cu4 N24 O24 S8 -

2

0.5

BJ1032

Naumov, Panče; Jovanovski, Gligor; Hu, Sheng-Zhi; Suh, Il-Hwan; Razak, Ibrahim Abdul; Chantrapromma, Suchada; Fun, Hoong-Kun; Ng, Seik Weng

On the short carbonyl bond in bis[μ-1,2-benzisothiazol-3(2H)-one 1,1-dioxido-κ^2^N:O]bis{[1,2-benzisothiazol-3(2H)-one 1,1-dioxido-κN]bis(imidazole)copper(II)}

Acta Crystallographica Section C

2,001

57

9

1016

1019

10.1107/S0108270101009507

0.71073

MoKα

0.067

0.051

null

0.139

null

0.984

null

has coordinates,has disorder,has Fobs

Naumov, Panče; Jovanovski, Gligor; Hu, Sheng-Zhi; Suh, Il-Hwan; Razak, Ibrahim Abdul; Chantrapromma, Suchada; Fun, Hoong-Kun; Ng, Seik Weng On the short carbonyl bond in bis[μ-1,2-benzisothiazol-3(2H)-one 1,1-dioxido-κ^2^N:O]bis{[1,2-benzisothiazol-3(2H)-one 1,1-dioxido-κN]bis(imidazo...

301,798

2025-08-19

6:41:49

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2,012,176

14.393

0.005

8.201

0.002

12.606

0.004

90

null

113.17

0.02

90

null

1,368

0.8

143

2

143

2

null

5

P 1 21/c 1

-P 2ybc

14

- C11 H14 N2 O5 S2 -

- C44 H56 N8 O20 S8 -

4

1

BM1460

Dalluhn, Jörg; Pröhl, Hans-Heinrich; Fischer, Axel K.; Jones, Peter G.; Blaschette, Armand

Polysulfonylamines. CXLV. N-Diethylcarbamoyl-o-benzenedisulfonimide, a urea with non-planar geometry at nitrogen and an amide single bond

Acta Crystallographica Section C

2,001

57

9

1109

1111

10.1107/S0108270101010605

0.71073

MoKα

0.0501

0.0403

null

0.109

null

1.043

null

has coordinates,has Fobs

Dalluhn, Jörg; Pröhl, Hans-Heinrich; Fischer, Axel K.; Jones, Peter G.; Blaschette, Armand Polysulfonylamines. CXLV. N-Diethylcarbamoyl-o-benzenedisulfonimide, a urea with non-planar geometry at nitrogen and an amide single bond Acta Crystallographica Section C 57(9) (2001) 1109-1111

301,798

2025-08-19

6:41:49

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2,012,177

4.8149

0.0003

24.6603

0.0015

6.9111

0.0004

90

null

106.418

0.001

90

null

787.14

0.08

293

2

293

2

null

5

C 1 c 1

C -2yc

9

Tin Phenyl Phosphonate

Tin(II) Phenyl Phosphonate

- C6 H5 O3 P Sn -

- C24 H20 O12 P4 Sn4 -

4

1

BR1323

Lansky, David E.; Zavalij, Peter Y.; Oliver, Scott R. J.

A layered tin(II) phosphonate, [Sn(C~6~H~5~O~3~P)]~n~

Acta Crystallographica Section C

2,001

57

9

1051

1052

10.1107/S0108270101010034

0.71073

MoKα

0.031

0.029

null

0.066

null

1.072

null

has coordinates,has Fobs

Lansky, David E.; Zavalij, Peter Y.; Oliver, Scott R. J. A layered tin(II) phosphonate, [Sn(C~6~H~5~O~3~P)]~n~ Acta Crystallographica Section C 57(9) (2001) 1051-1052

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/21/2012177.cif $ #-------------------------------------------------------------------...

2,012,178

7.0402

0.0004

14.9404

0.0008

7.0433

0.0004

90

null

90.702

0.001

90

null

740.78

0.07

295

2

293

2

null

4

P 1 21/c 1

-P 2ybc

14

Lithium Aluminum Boron Oxide (2/1/5/10)

- Al B5 Li2 O10 -

- Al4 B20 Li8 O40 -

4

1

He, Meng; Li, Hui; Chen, Xiaolong; Xu, Yanping; Xu, Tao

Li~2~AlB~5~O~10~

Acta Crystallographica, Section C: Crystal Structure Communications

2,001

57

9

1010

1011

10.1107/S0108270101006205

null

0.034

null

has coordinates

He, Meng; Li, Hui; Chen, Xiaolong; Xu, Yanping; Xu, Tao Li~2~AlB~5~O~10~ Acta Crystallographica, Section C: Crystal Structure Communications 57(9) (2001) 1010-1011

190,401

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-01-11 16:32:13 +0200 (Wed, 11 Jan 2017) $ #$Revision: 190401 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/21/2012178.cif $ #-------------------------------------------------------------------...

2,012,179

10.539

0.002

10.539

0.002

10.539

0.002

90

null

90

null

90

null

1,170.6

0.4

293

2

293

2

null

3

F d -3 m :2

-F 4vw 2vw 3

227

tin niobate

Tin niobate

- Nb1.84 O6.35 Sn1.59 -

- Nb1.84 O6.352 Sn1.5896 -

- Nb14.72 O50.816 Sn12.7168 -

8

0.041667

BR1329

Cruz, Luisa Paula; Savariault, Jean-Michel; Rocha, João

Pyrochlore-type tin niobate

Acta Crystallographica Section C

2,001

57

9

1001

1003

10.1107/S0108270101010320

0.71073

MoKα

0.0341

0.0268

null

0.0631

null

0.0598

null

0.943

null

0.969

null

has coordinates,has Fobs

Cruz, Luisa Paula; Savariault, Jean-Michel; Rocha, João Pyrochlore-type tin niobate Acta Crystallographica Section C 57(9) (2001) 1001-1003

176,760

2020-10-21

18:00:00

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2,012,180

5.4809

0.0003

5.4804

0.0003

26.5533

0.0016

89.999

0.004

90.245

0.004

89.999

0.005

797.59

0.08

293

2

293

2

null

4

P -1

-P 1

2

- Ca2 Li Nb3 O10 -

- Ca8 Li4 Nb12 O40 -

4

2

BR1337

Ishizawa, Nobuo; Yamashita, Reiko; Oishi, Shuji; Hester, James R.; Kishimoto, Shunji

A synchrotron X-ray study of triclinic LiCa~2~Nb~3~O~10~ with perovskite-type slabs

Acta Crystallographica Section C

2,001

57

9

1006

1009

10.1107/S0108270101009453

0.75008

synchrotron

0.059

0.051

null

0.169

null

0.941

null

has coordinates,has Fobs

Ishizawa, Nobuo; Yamashita, Reiko; Oishi, Shuji; Hester, James R.; Kishimoto, Shunji A synchrotron X-ray study of triclinic LiCa~2~Nb~3~O~10~ with perovskite-type slabs Acta Crystallographica Section C 57(9) (2001) 1006-1009

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/21/2012180.cif $ #-------------------------------------------------------------------...

2,012,181

8.2596

0.0004

6.8752

0.0003

7.1394

0.0003

90

null

103.121

0.002

90

null

394.84

0.03

293

null

293

null

4

P 1 21/c 1

-P 2ybc

14

- Cl In O3 Te -

- Cl4 In4 O12 Te4 -

4

1

BR1338

Gaudin, Etienne; Chaminade, Jean-Pierre; El Abed, Ahmed; Darriet, Jacques

Indium tellurium trioxide chloride, InTeO~3~Cl

Acta Crystallographica Section C

2,001

57

9

1004

1005

10.1107/S0108270101009325

0.71073

MoKα

0.047

0.037

null

0.093

null

1.3

null

has coordinates,has Fobs

Gaudin, Etienne; Chaminade, Jean-Pierre; El Abed, Ahmed; Darriet, Jacques Indium tellurium trioxide chloride, InTeO~3~Cl Acta Crystallographica Section C 57(9) (2001) 1004-1005

176,435

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/21/2012181.cif $ #-------------------------------------------------------------------...

2,012,182

5.826

0.0005

5.252

0.0007

5.832

0.0007

90

null

113.86

0.02

90

null

163.2

0.04

293

2

293

2

null

3

P 1 21/n 1

-P 2yn

14

Anhydrous cadmium oxalate

- C2 Cd O4 -

- C4 Cd2 O8 -

2

0.5

BR1339

Jeanneau, Erwann; Audebrand, Nathalie; Louër, Daniel

β-CdC~2~O~4~

Acta Crystallographica Section C

2,001

57

9

1012

1013

10.1107/S0108270101009581

0.71073

MoKα

0.032

0.022

null

0.055

null

1.095

null

has coordinates,has Fobs

Jeanneau, Erwann; Audebrand, Nathalie; Louër, Daniel β-CdC~2~O~4~ Acta Crystallographica Section C 57(9) (2001) 1012-1013

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/21/2012182.cif $ #-------------------------------------------------------------------...

2,012,183

5.172

0.003

5.172

0.003

4.141

0.002

90

null

90

null

120

null

95.93

0.09

293

2

293

2

null

3

P 6/m m m

-P 6 2

191

Yttrium tricopper dialuminium

- Al2.04 Cu2.96 Y -

- Al2.07 Cu2.942 Y -

1

0.041667

BR1341

Karim, Kadir; Tetsuo, Sakai; Itsuki, Uehara; Lars, Eriksson

YCu~3~Al~2~, an example of an AB~5~ structure type

Acta Crystallographica Section C

2,001

57

9

999

1000

10.1107/S0108270101010009

0.71073

MoKα

0.0218

0.0206

null

0.0552

null

1.376

null

has coordinates,has Fobs

Karim, Kadir; Tetsuo, Sakai; Itsuki, Uehara; Lars, Eriksson YCu~3~Al~2~, an example of an AB~5~ structure type Acta Crystallographica Section C 57(9) (2001) 999-1000

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/21/2012183.cif $ #-------------------------------------------------------------------...

2,012,184

13.849

0.001

7.565

0.001

18.554

0.005

90

null

101.9

0.01

90

null

1,902.1

0.6

293

2

293

2

null

7

P 1 21/n 1

-P 2yn

14

(H-thiamine)bis(tetrafluoroborate)

3-[(4-amino-2-methyl-5-pyrimidinio)methyl]-5-(2-hydroxyethyl)- 4-methylthiazolium(2+) bis(tetrafluoroborate)

- C12 H18 B2 F8 N4 O S -

- C48 H72 B8 F32 N16 O4 S4 -

4

1

DA1186

Hu, Ning-Hai; Aoki, Katsuyuki; Adeyemo, Adegboye O.; Williams, George N.

Host‒guest-like thiamine‒anion complexation in thiaminium bis(tetrafluoroborate)

Acta Crystallographica Section C

2,001

57

9

1064

1066

10.1107/S0108270101009222

0.71073

MoKα

0.1332

0.0552

null

0.124

null

0.99

null

has coordinates,has Fobs

Hu, Ning-Hai; Aoki, Katsuyuki; Adeyemo, Adegboye O.; Williams, George N. Host‒guest-like thiamine‒anion complexation in thiaminium bis(tetrafluoroborate) Acta Crystallographica Section C 57(9) (2001) 1064-1066

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/21/2012184.cif $ #-------------------------------------------------------------------...

2,012,185

15.5712

0.0008

11.5546

0.0006

11.2428

0.0006

90

null

97.076

0.001

90

null

2,007.39

0.18

173

2

173

2

null

5

C 1 2/c 1

-C 2yc

15

- C19 H13 N7 Ni2 O -

- C9.5 H6.5 N3.5 Ni O0.5 -

- C76 H52 N28 Ni8 O4 -

8

1

DA1188

Woodward, Jonathan D.; Backov, Rénal; Abboud, Khalil A.; Talham, Daniel R.

[Ni(terpy)(H~2~O)]-trans-[Ni-(μ-CN)~2~-(CN)~2~]~n~, a one-dimensional linear tetracyanonickelate chain

Acta Crystallographica Section C

2,001

57

9

1027

1029

10.1107/S0108270101009234

0.71073

MoKα

0.0549

0.0309

null

0.0721

null

1.074

null

has coordinates,has Fobs

Woodward, Jonathan D.; Backov, Rénal; Abboud, Khalil A.; Talham, Daniel R. [Ni(terpy)(H~2~O)]-trans-[Ni-(μ-CN)~2~-(CN)~2~]~n~, a one-dimensional linear tetracyanonickelate chain Acta Crystallographica Section C 57(9) (2001) 1027-1029

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/21/2012185.cif $ #-------------------------------------------------------------------...

2,012,186

7.445

0.0002

9.52

0.0003

10.939

0.0003

105.051

0.002

103.154

0.002

93.083

0.002

723.8

0.04

293

2

293

2

null

3

P -1

-P 1

2

6-dehydroxyjacareubin

1,5-dihydroxy-2^,^,2^,^-dimethylpyrano-5^,^,6^,^:2,3-xanthone

- C18 H14 O5 -

- C36 H28 O10 -

2

1

DA1189

Doriguetto, Antonio C.; Santos, Marcelo H.; Ellena, Javier A.; Nagem, Tanus J.

6-Deoxyjacareubin

Acta Crystallographica Section C

2,001

57

9

1095

1097

10.1107/S0108270101009246

0.7107

MoKα

0.0661

0.0514

null

0.1502

null

1.021

null

has coordinates,has Fobs

Doriguetto, Antonio C.; Santos, Marcelo H.; Ellena, Javier A.; Nagem, Tanus J. 6-Deoxyjacareubin Acta Crystallographica Section C 57(9) (2001) 1095-1097

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/21/2012186.cif $ #-------------------------------------------------------------------...

2,012,187

22.759

0.005

13.618

0.002

15.813

0.003

90

null

104.34

0.01

90

null

4,748.3

1.6

294

null

5

C 1 2/c 1

-C 2yc

15

Bis(tetraphenylphosphonium) (trioxalato-O,O')germanate(IV)

- C54 H40 Ge O12 P2 -

- C216 H160 Ge4 O48 P8 -

4

0.5

DA1190

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

Bis(tetraphenylphosphonium) tris(oxalato-O,O')germanate(IV)

Acta Crystallographica Section C

2,001

57

9

1030

1031

10.1107/S0108270101009258

1.5418

CuKα

null

0.034

null

0.05

null

1.78

null

has coordinates,has Fobs

Dean, Philip A. W.; Dance, Ian G.; Craig, Donald C.; Scudder, Marcia L. Bis(tetraphenylphosphonium) tris(oxalato-O,O')germanate(IV) Acta Crystallographica Section C 57(9) (2001) 1030-1031

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/21/2012187.cif $ #-------------------------------------------------------------------...

2,012,188

10.906

0.002

8.052

0.004

17.195

0.003

90

null

95.98

0.02

90

null

1,501.8

0.8

170

2

170

2

null

4

P 1 21/n 1

-P 2yn

14

cis-4-oxa-1-decalinol p-bromobenzoate

cis-4-oxa-1-decalinyl p-bromobenzoate

- C16 H19 Br O3 -

- C64 H76 Br4 O12 -

4

1

DA1192

Parvez, Masood; Yadav, Veejendra K.; Balamurugan, Rengarajan

π-Facial selectivities of diastereotopic ketones: p-bromobenzoates of 4-hetero-1-decalinols

Acta Crystallographica Section C

2,001

57

9

1084

1088

10.1107/S0108270101009544

0.71069

MoKα

0.322

0.042

null

0.109

null

0.94

null

has coordinates

Parvez, Masood; Yadav, Veejendra K.; Balamurugan, Rengarajan π-Facial selectivities of diastereotopic ketones: p-bromobenzoates of 4-hetero-1-decalinols Acta Crystallographica Section C 57(9) (2001) 1084-1088

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/21/2012188.cif $ #-------------------------------------------------------------------...

2,012,189

9.643

0.002

10.679

0.002

8.772

0.002

96.32

0.02

111.32

0.02

110.49

0.02

758.5

0.3

293

2

293

2

null

4

P -1

-P 1

2

trans-4-oxa-1-decalinol p-bromobenzoate

trans-4-oxa-1-decalinyl p-bromobenzoate

- C16 H19 Br O3 -

- C32 H38 Br2 O6 -

2

1

DA1192

Parvez, Masood; Yadav, Veejendra K.; Balamurugan, Rengarajan

π-Facial selectivities of diastereotopic ketones: p-bromobenzoates of 4-hetero-1-decalinols

Acta Crystallographica Section C

2,001

57

9

1084

1088

10.1107/S0108270101009544

0.71069

MoKα

0.165

0.039

null

0.13

null

0.98

null

has coordinates,has Fobs

Parvez, Masood; Yadav, Veejendra K.; Balamurugan, Rengarajan π-Facial selectivities of diastereotopic ketones: p-bromobenzoates of 4-hetero-1-decalinols Acta Crystallographica Section C 57(9) (2001) 1084-1088

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/21/2012189.cif $ #-------------------------------------------------------------------...

2,012,190

11.914

0.003

13.144

0.003

6.922

0.002

96.06

0.02

106.22

0.02

100.42

0.03

1,009.6

0.5

170

2

170

2

null

5

P -1

-P 1

2

N-benzyl-cis-4-aza-1-decalinol p-bromobenzoate

N-benzyl-cis-4-aza-1-decalinyl p-bromobenzoate

- C23 H26 Br N O2 -

- C46 H52 Br2 N2 O4 -

2

1

DA1192

Parvez, Masood; Yadav, Veejendra K.; Balamurugan, Rengarajan

π-Facial selectivities of diastereotopic ketones: p-bromobenzoates of 4-hetero-1-decalinols

Acta Crystallographica Section C

2,001

57

9

1084

1088

10.1107/S0108270101009544

0.71069

MoKα

0.207

0.04

null

0.11

null

0.95

null

has coordinates,has Fobs

Parvez, Masood; Yadav, Veejendra K.; Balamurugan, Rengarajan π-Facial selectivities of diastereotopic ketones: p-bromobenzoates of 4-hetero-1-decalinols Acta Crystallographica Section C 57(9) (2001) 1084-1088

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/21/2012190.cif $ #-------------------------------------------------------------------...

2,012,191

9.561

0.002

9.822

0.002

13.202

0.003

78.34

0.02

78.21

0.02

61.92

0.03

1,062.7

0.5

293

2

293

2

null

5

P -1

-P 1

2

N-benzyl-trans-4-aza-1-decalinol p-bromobenzoate

N-benzyl-trans-4-aza-1-decalinyl p-bromobenzoate

- C23 H26 Br N O2 -

- C46 H52 Br2 N2 O4 -

2

1

DA1192

Parvez, Masood; Yadav, Veejendra K.; Balamurugan, Rengarajan

π-Facial selectivities of diastereotopic ketones: p-bromobenzoates of 4-hetero-1-decalinols

Acta Crystallographica Section C

2,001

57

9

1084

1088

10.1107/S0108270101009544

1.54178

CuKα

0.074

0.046

null

0.135

null

1.03

null

has coordinates,has Fobs

Parvez, Masood; Yadav, Veejendra K.; Balamurugan, Rengarajan π-Facial selectivities of diastereotopic ketones: p-bromobenzoates of 4-hetero-1-decalinols Acta Crystallographica Section C 57(9) (2001) 1084-1088

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/21/2012191.cif $ #-------------------------------------------------------------------...

2,012,192

8.886

0.002

5.3714

0.0009

16.599

0.003

90

null

92.7

0.02

90

null

791.4

0.3

293

2

293

2

null

5

P 1 21 1

P 2yb

4

trans-4-thia-1-decalinol p-bromobenzoate

trans-4-thia-1-decalinyl p-bromobenzoate

- C16 H19 Br O2 S -

- C32 H38 Br2 O4 S2 -

2

1

DA1192

Parvez, Masood; Yadav, Veejendra K.; Balamurugan, Rengarajan

π-Facial selectivities of diastereotopic ketones: p-bromobenzoates of 4-hetero-1-decalinols

Acta Crystallographica Section C

2,001

57

9

1084

1088

10.1107/S0108270101009544

1.54178

CuKα

0.051

0.048

null

0.133

null

1.04

null

has coordinates,has Fobs

Parvez, Masood; Yadav, Veejendra K.; Balamurugan, Rengarajan π-Facial selectivities of diastereotopic ketones: p-bromobenzoates of 4-hetero-1-decalinols Acta Crystallographica Section C 57(9) (2001) 1084-1088

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/21/2012192.cif $ #-------------------------------------------------------------------...

2,012,193

12.329

0.01

20.245

0.01

31.691

0.01

90

null

90

null

90

null

7,910

8

293

2

293

2

null

4

P 21 21 21

P 2ac 2ab

19

Amphisin tetrahydrate

R-β-hydroxydecanoyl-D-Leu-D-Asp-D-allo-Thr-D-Leu-D-Leu-D-Ser-L-Leu- D-Gln-L-Leu-L-Ile-L-Asp tetrahydrate

- C66 H122 N12 O24 -

- C66 H116 N12 O24 -

- C264 H464 N48 O96 -

4

1

DA1195

Sørensen, Dan; Nielsen, Tommy H.; Christophersen, Carsten; Sørensen, Jan; Gajhede, Michael

Cyclic lipoundecapeptide amphisin from Pseudomonas sp. strain DSS73

Acta Crystallographica Section C

2,001

57

9

1123

1124

10.1107/S0108270101010782

0.71075

MoKα

0.0566

0.0437

null

0.1571

null

0.863

null

has coordinates,has disorder,has Fobs

Sørensen, Dan; Nielsen, Tommy H.; Christophersen, Carsten; Sørensen, Jan; Gajhede, Michael Cyclic lipoundecapeptide amphisin from Pseudomonas sp. strain DSS73 Acta Crystallographica Section C 57(9) (2001) 1123-1124

176,760

2020-10-21

18:00:00

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2,012,194

7.3677

0.0009

10.054

0.001

16.834

0.002

90

null

90

null

90

null

1,247

0.2

293

null

4

P 21 21 21

P 2ac 2ab

19

- C13 H12 N2 O4 -

- C52 H48 N8 O16 -

4

1

DA1198

Zukerman-Schpector, J.; Vega, Mauricio; Caracelli, I.; Dias, Luiz C.; Fernandes, Anna M. A. P.

Two intermediates in the synthesis of decahydroisoquinolines with NMDA and AMPA receptor antagonist activity

Acta Crystallographica Section C

2,001

57

9

1089

1091

10.1107/S0108270101009702

0.71073

MoKα

0.1248

0.037

null

0.1314

null

0.1031

null

0.984

null

0.984

null

has coordinates

Zukerman-Schpector, J.; Vega, Mauricio; Caracelli, I.; Dias, Luiz C.; Fernandes, Anna M. A. P. Two intermediates in the synthesis of decahydroisoquinolines with NMDA and AMPA receptor antagonist activity Acta Crystallographica Section C 57(9) (2001) 1089-1091

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/21/2012194.cif $ #-------------------------------------------------------------------...

2,012,195

10.2455

0.0009

12.664

0.001

27.446

0.003

90

null

97.441

0.009

90

null

3,531.1

0.6

293

null

4

I 1 2/a 1

-I 2ya

15

- C18 H20 N2 O6 -

- C144 H160 N16 O48 -

8

1

DA1198

Zukerman-Schpector, J.; Vega, Mauricio; Caracelli, I.; Dias, Luiz C.; Fernandes, Anna M. A. P.

Two intermediates in the synthesis of decahydroisoquinolines with NMDA and AMPA receptor antagonist activity

Acta Crystallographica Section C

2,001

57

9

1089

1091

10.1107/S0108270101009702

0.71073

MoKα

0.1152

0.0442

null

0.1393

null

0.1129

null

1.008

null

1.008

null

has coordinates,has Fobs

Zukerman-Schpector, J.; Vega, Mauricio; Caracelli, I.; Dias, Luiz C.; Fernandes, Anna M. A. P. Two intermediates in the synthesis of decahydroisoquinolines with NMDA and AMPA receptor antagonist activity Acta Crystallographica Section C 57(9) (2001) 1089-1091

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/21/2012195.cif $ #-------------------------------------------------------------------...

2,012,196

15.3399

0.0013

16.2211

0.0013

15.6888

0.0013

90

null

113.101

0.001

90

null

3,590.8

0.5

173

2

173

2

null

7

P 1 21/n 1

-P 2yn

14

- C37 H32 Cl3 N O4 P2 S -

- C148 H128 Cl12 N4 O16 P8 S4 -

4

1

DE1168

Guzei, Ilia A.; Dougan, Jeffrey S.; Treichel, Paul M. Jr

Hydrogen bonding in bis(triphenylphosphine-P)iminium hydrogensulfate chloroform solvate

Acta Crystallographica Section C

2,001

57

9

1060

1061

10.1107/S0108270101006710

0.71073

MoKα

0.0942

0.0612

null

0.153

null

0.988

null

has coordinates

Guzei, Ilia A.; Dougan, Jeffrey S.; Treichel, Paul M. Jr Hydrogen bonding in bis(triphenylphosphine-P)iminium hydrogensulfate chloroform solvate Acta Crystallographica Section C 57(9) (2001) 1060-1061

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/21/2012196.cif $ #-------------------------------------------------------------------...

2,012,197

7.415

0.0003

7.9299

0.0003

8.8881

0.0004

81.578

0.002

69.26

0.002

85.453

0.002

483.27

0.04

173

2

173

2

null

3

P -1

-P 1

2

Bis(2,4,7-trimethylindenyl)cobalt(II)

- C24 H26 Co -

1

0.5

DE1172

Raubenheimer, Helgard G.; Stenzel, Oleg; Esterhuysen, Matthias W.

Bis(2,4,7-trimethylindenyl)cobalt(II) and rac-2,2',4,4',7,7'-hexamethyl-1,1'-biindene

Acta Crystallographica Section C

2,001

57

9

1056

1059

10.1107/S010827010100974X

0.71073

MoKα

0.033

0.0309

null

0.0744

null

1.131

null

has coordinates

Raubenheimer, Helgard G.; Stenzel, Oleg; Esterhuysen, Matthias W. Bis(2,4,7-trimethylindenyl)cobalt(II) and rac-2,2',4,4',7,7'-hexamethyl-1,1'-biindene Acta Crystallographica Section C 57(9) (2001) 1056-1059

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/21/2012197.cif $ #-------------------------------------------------------------------...

2,012,198

12.1229

0.0004

9.688

0.0004

15.7045

0.0006

90

null

102.942

0.002

90

null

1,797.59

0.12

173

2

173

2

null

2

P 1 21/c 1

-P 2ybc

14

rac-1,1'-Bis(2,4,7-trimethylindene)

- C24 H26 -

- C96 H104 -

4

1

DE1172

Raubenheimer, Helgard G.; Stenzel, Oleg; Esterhuysen, Matthias W.

Bis(2,4,7-trimethylindenyl)cobalt(II) and rac-2,2',4,4',7,7'-hexamethyl-1,1'-biindene

Acta Crystallographica Section C

2,001

57

9

1056

1059

10.1107/S010827010100974X

0.71073

MoKα

0.11

0.0476

null

0.1147

null

0.953

null

has coordinates,has Fobs

Raubenheimer, Helgard G.; Stenzel, Oleg; Esterhuysen, Matthias W. Bis(2,4,7-trimethylindenyl)cobalt(II) and rac-2,2',4,4',7,7'-hexamethyl-1,1'-biindene Acta Crystallographica Section C 57(9) (2001) 1056-1059

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/21/2012198.cif $ #-------------------------------------------------------------------...

2,012,199

7.679

0.001

14.644

0.002

12.461

0.001

90

null

96.43

0.01

90

null

1,392.4

0.3

293

2

293

2

null

3

P 1 21 1

P 2yb

4

(-)-dioxosantadienic acid

(-)-2-(1,2,3,4,6,8a-hexahydro-5,8a-dimethyl-4,6-dioxo-3-naphthyl)propionic acid

- C15 H18 O4 -

- C60 H72 O16 -

4

2

FG1635

Brunskill, Andrew P. J.; Lalancette, Roger A.; Thompson, Hugh W.

(–)-Dioxosantadienic acid: hydrogen-bonding patterns in a bicyclic sesquiterpenoid keto acid and its monohydrate

Acta Crystallographica Section C

2,001

57

9

1075

1078

10.1107/S0108270101009441

0.71073

MoKα

0.046

0.033

null

0.077

null

1.08

null

has coordinates,has Fobs

Brunskill, Andrew P. J.; Lalancette, Roger A.; Thompson, Hugh W. (–)-Dioxosantadienic acid: hydrogen-bonding patterns in a bicyclic sesquiterpenoid keto acid and its monohydrate Acta Crystallographica Section C 57(9) (2001) 1075-1078

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/21/2012199.cif $ #-------------------------------------------------------------------...

2,012,200

8.72

0.001

18.17

0.003

9.589

0.002

90

null

100.13

0.02

90

null

1,495.6

0.4

248

2

248

2

null

3

P 1 21 1

P 2yb

4

(-)-dioxosantadienic acid monohydrate

(-)-2-(1,2,3,4,6,8a-hexahydro-5,8a-dimethyl-4,6-dioxo-3-naphthyl)propionic acid monohydrate

- C15 H20 O5 -

- C60 H80 O20 -

4

2

FG1635

Brunskill, Andrew P. J.; Lalancette, Roger A.; Thompson, Hugh W.

(–)-Dioxosantadienic acid: hydrogen-bonding patterns in a bicyclic sesquiterpenoid keto acid and its monohydrate

Acta Crystallographica Section C

2,001

57

9

1075

1078

10.1107/S0108270101009441

0.71073

MoKα

0.088

0.052

null

0.103

null

1.05

null

has coordinates,has Fobs

Brunskill, Andrew P. J.; Lalancette, Roger A.; Thompson, Hugh W. (–)-Dioxosantadienic acid: hydrogen-bonding patterns in a bicyclic sesquiterpenoid keto acid and its monohydrate Acta Crystallographica Section C 57(9) (2001) 1075-1078

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/22/2012200.cif $ #-------------------------------------------------------------------...

2,012,201

11.21

0.004

17.709

0.003

9.2126

0.0016

90

null

107.423

0.019

90

null

1,745

0.8

293

2

293

2

null

6

P 1 21/c 1

-P 2ybc

14

- C24 H62 Cl2 Cu N6 O10 -

- C48 H124 Cl4 Cu2 N12 O20 -

2

0.5

FR1322

Choi, Ki-Young; Kim, Yong-Son; Choo, Geum-Hong; Kim, Jin-Gyu; Suh, Il-Hwan

[2,13-Bis(acetamido)-5,16-dimethyl-2,6,13,17-tetraazatricyclo[16.4.0.0^7,12^]docosane]copper(II) dichloride octahydrate

Acta Crystallographica Section C

2,001

57

9

1014

1015

10.1107/S0108270101004024

0.71073

MoKα

0.047

0.035

null

0.092

null

1.075

null

has coordinates,has Fobs

Choi, Ki-Young; Kim, Yong-Son; Choo, Geum-Hong; Kim, Jin-Gyu; Suh, Il-Hwan [2,13-Bis(acetamido)-5,16-dimethyl-2,6,13,17-tetraazatricyclo[16.4.0.0^7,12^]docosane]copper(II) dichloride octahydrate Acta Crystallographica Section C 57(9) (2001) 1014-1015

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/22/2012201.cif $ #-------------------------------------------------------------------...

2,012,202

23.441

0.003

10.1303

0.0014

13.5222

0.0017

90

null

73.822

0.01

90

null

3,083.9

0.7

295

null

3

P 1 21/c 1

-P 2ybc

14

- C17 H10 S4 -

- C136 H80 S32 -

8

2

FR1332

Kaynak, F. Betül; Özbey, Süheyla; Öztürk, Turan; Ertaş, Erdal

5,6-Diphenylthieno[2,3-d][1,3]dithiole-2-thione

Acta Crystallographica Section C

2,001

57

9

1125

1126

10.1107/S0108270101010988

0.71073

MoKα

null

0.0334

null

0.0985

null

1.065

null

has coordinates,has Fobs

Kaynak, F. Betül; Özbey, Süheyla; Öztürk, Turan; Ertaş, Erdal 5,6-Diphenylthieno[2,3-d][1,3]dithiole-2-thione Acta Crystallographica Section C 57(9) (2001) 1125-1126

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/22/2012202.cif $ #-------------------------------------------------------------------...

2,012,203

10.281

0.002

17.244

0.003

26.382

0.005

90

null

90

null

90

null

4,677.1

1.5

293

2

293

2

null

5

P b c a

-P 2ac 2ab

61

cis-dichlorobis(diphenylsulfide)platinum(II)

- C24 H20 Cl2 Pt S2 -

- C192 H160 Cl16 Pt8 S16 -

8

1

GD1157

Johansson, Maria H.; Oskarsson, Åke; Lövqvist, Karin; Kiriakidou, Fotini; Kapoor, Pramesh

Cis- and trans-influences in [PtCl~2~(SPh~2~)~2~]

Acta Crystallographica Section C

2,001

57

9

1053

1055

10.1107/S010827010100960X

0.71073

MoKα

0.0759

0.0454

null

0.1061

null

1.157

null

has coordinates,has Fobs

Johansson, Maria H.; Oskarsson, Åke; Lövqvist, Karin; Kiriakidou, Fotini; Kapoor, Pramesh Cis- and trans-influences in [PtCl~2~(SPh~2~)~2~] Acta Crystallographica Section C 57(9) (2001) 1053-1055

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/22/2012203.cif $ #-------------------------------------------------------------------...

2,012,204

5.8742

0.0012

16.98

0.003

11.733

0.002

90

null

97.99

0.03

90

null

1,158.9

0.4

293

2

293

2

null

5

P 1 21/c 1

-P 2ybc

14

trans-dichlorobis(diphenylsulfide)platinum(II)

- C24 H20 Cl2 Pt S2 -

- C48 H40 Cl4 Pt2 S4 -

2

0.5

GD1157

Johansson, Maria H.; Oskarsson, Åke; Lövqvist, Karin; Kiriakidou, Fotini; Kapoor, Pramesh

Cis- and trans-influences in [PtCl~2~(SPh~2~)~2~]

Acta Crystallographica Section C

2,001

57

9

1053

1055

10.1107/S010827010100960X

0.71073

MoKα

0.049

0.0361

null

0.0997

null

1.086

null

has coordinates,has Fobs

Johansson, Maria H.; Oskarsson, Åke; Lövqvist, Karin; Kiriakidou, Fotini; Kapoor, Pramesh Cis- and trans-influences in [PtCl~2~(SPh~2~)~2~] Acta Crystallographica Section C 57(9) (2001) 1053-1055

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/22/2012204.cif $ #-------------------------------------------------------------------...

2,012,205

7.4906

0.0002

10.2409

0.0002

13.1449

0.0003

104.961

0.0009

90.7398

0.0009

101.245

0.0009

953.34

0.04

150

1

150

1

null

4

P -1

-P 1

2

5-(ethylcarboxylate)-6-methoxy-2-pyrimidinamine

- C9 H12 N2 O3 -

- C36 H48 N8 O12 -

4

2

GD1162

Garcia, Celeste; Quesada, Antonio; Melguizo, Manuel; Cobo, Justo; Nogueras, Manuel; Sánchez, Adolfo; Cannon, Debbie; Low, John Nicolson

Ethyl 6-amino-2-methoxypyridine-3-carboxylate, interplay of molecular and supramolecular structure

Acta Crystallographica Section C

2,001

57

9

1103

1105

10.1107/S0108270101010228

0.71073

MoKα

0.0614

0.0509

null

0.142

null

1.045

null

has coordinates,has Fobs

Garcia, Celeste; Quesada, Antonio; Melguizo, Manuel; Cobo, Justo; Nogueras, Manuel; Sánchez, Adolfo; Cannon, Debbie; Low, John Nicolson Ethyl 6-amino-2-methoxypyridine-3-carboxylate, interplay of molecular and supramolecular structure Acta Crystallographica Section C 57(9) (2001) 1103-1105

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/22/2012205.cif $ #-------------------------------------------------------------------...

2,012,206

12.7183

0.0002

15.3106

0.0003

12.8865

0.0002

90

null

90.482

0.0009

90

null

2,509.23

0.07

150

2

150

2

null

7

P 1 21/c 1

-P 2ybc

14

tetra(2-Amino-5-methyl-1,3,4-thiadiazole-N)chlorocopper(II) chloride hydrate

- C12 H22 Cl2 Cu N12 O S4 -

- C48 H88 Cl8 Cu4 N48 O4 S16 -

4

1

GG1063

Lynch, Daniel E.; Ewington, Jonathan

Tetrakis(2-amino-5-methyl-1,3,4-thiadiazole-N^3^)chlorocopper(II) chloride monohydrate and tetrakis(2-amino-5-ethyl-1,3,4-thiadiazole-N^3^)chlorocopper(II) chloride

Acta Crystallographica Section C

2,001

57

9

1032

1035

10.1107/S0108270101009489

0.71073

MoKα

0.0558

0.0391

null

0.1048

null

0.85

null

has coordinates,has Fobs

Lynch, Daniel E.; Ewington, Jonathan Tetrakis(2-amino-5-methyl-1,3,4-thiadiazole-N^3^)chlorocopper(II) chloride monohydrate and tetrakis(2-amino-5-ethyl-1,3,4-thiadiazole-N^3^)chlorocopper(II) chloride Acta Crystallographica Section C 57(9) (2001) 1032-1035

176,760

2020-10-21

18:00:00

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2,012,207

12.3273

0.0017

12.3273

0.0017

17.705

0.004

90

null

90

null

90

null

2,690.5

0.8

150

2

150

2

null

6

P 4/n c c :2

-P 4a 2ac

130

tetra(2-amino-5-ethyl-1,3,4-thiadiazole-N)chlorocopper(II) chloride

- C16 H28 Cl2 Cu N12 S4 -

- C64 H112 Cl8 Cu4 N48 S16 -

4

0.25

GG1063

Lynch, Daniel E.; Ewington, Jonathan

Tetrakis(2-amino-5-methyl-1,3,4-thiadiazole-N^3^)chlorocopper(II) chloride monohydrate and tetrakis(2-amino-5-ethyl-1,3,4-thiadiazole-N^3^)chlorocopper(II) chloride

Acta Crystallographica Section C

2,001

57

9

1032

1035

10.1107/S0108270101009489

0.71073

MoKα

0.041

0.0322

null

0.088

null

1.04

null

has coordinates,has Fobs

Lynch, Daniel E.; Ewington, Jonathan Tetrakis(2-amino-5-methyl-1,3,4-thiadiazole-N^3^)chlorocopper(II) chloride monohydrate and tetrakis(2-amino-5-ethyl-1,3,4-thiadiazole-N^3^)chlorocopper(II) chloride Acta Crystallographica Section C 57(9) (2001) 1032-1035

176,760

2020-10-21

18:00:00

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2,012,208

9.6242

0.0002

11.9846

0.0003

14.5866

0.0003

90

null

106.105

0.0017

90

null

1,616.42

0.06

150

2

150

2

null

5

P 1 21/c 1

-P 2ybc

14

Dichlorobis(4-methylpentane-2-onato-C^4^,O)tin(IV)

- C12 H22 Cl2 O2 Sn -

- C48 H88 Cl8 O8 Sn4 -

4

1

GG1064

Howie, R. Alan; Wardell, James L.

Dichlorobis(4-methylpentan-2-onato-C^4^,O)tin(IV) and bis(4-methylpentan-2-onato-C^4^,O)(2-thioxo-1,3-dithiole-4,5-dithiolato-S,S')tin(IV) at 150K

Acta Crystallographica Section C

2,001

57

9

1041

1043

10.1107/S0108270101009659

0.71073

MoKα

0.0348

0.0279

null

0.0743

null

1.082

null

has coordinates,has Fobs

Howie, R. Alan; Wardell, James L. Dichlorobis(4-methylpentan-2-onato-C^4^,O)tin(IV) and bis(4-methylpentan-2-onato-C^4^,O)(2-thioxo-1,3-dithiole-4,5-dithiolato-S,S')tin(IV) at 150K Acta Crystallographica Section C 57(9) (2001) 1041-1043

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/22/2012208.cif $ #-------------------------------------------------------------------...

2,012,209

11.067

0.0002

15.4499

0.0004

12.2682

0.0002

90

null

94.7892

0.0016

90

null

2,090.34

0.07

150

2

150

2

null

5

P 1 21/c 1

-P 2ybc

14

Bis(4-methylpentan-2-onato-C^4^,O)(2-thioxo-1,3-dithiole-4,5-dithiolato- S,S')tin(IV)

- C15 H22 O2 S5 Sn -

- C60 H88 O8 S20 Sn4 -

4

1

GG1064

Howie, R. Alan; Wardell, James L.

Dichlorobis(4-methylpentan-2-onato-C^4^,O)tin(IV) and bis(4-methylpentan-2-onato-C^4^,O)(2-thioxo-1,3-dithiole-4,5-dithiolato-S,S')tin(IV) at 150K

Acta Crystallographica Section C

2,001

57

9

1041

1043

10.1107/S0108270101009659

0.71073

MoKα

0.038

0.0289

null

0.0678

null

1.04

null

has coordinates

Howie, R. Alan; Wardell, James L. Dichlorobis(4-methylpentan-2-onato-C^4^,O)tin(IV) and bis(4-methylpentan-2-onato-C^4^,O)(2-thioxo-1,3-dithiole-4,5-dithiolato-S,S')tin(IV) at 150K Acta Crystallographica Section C 57(9) (2001) 1041-1043

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/22/2012209.cif $ #-------------------------------------------------------------------...

2,012,210

11.137

0.002

12.671

0.003

14.409

0.003

64.28

0.03

85.77

0.03

78.28

0.03

1,793.5

0.8

150

2

150

2

null

7

P -1

-P 1

2

trans-Bis(2-amino-6-nitro-1,3-benzothiazole-N)dichloroplatinum(II) tetrakis(N,N'-dimethylformamide) solvate

- C26 H38 Cl2 N10 O8 Pt S2 -

- C52 H76 Cl4 N20 O16 Pt2 S4 -

2

1

GG1066

Daniel E. Lynch; Helen L. Duckhouse

trans-Bis(2-amino-6-nitro-1,3-benzothiazole-N)dichloroplatinum(II) tetrakis(N,N'-dimethylformamide) solvate and tetrakis(2-amino-5-methyl-1,3,4-thiadiazole-N^4^)platinum(II) hexachloroplatinate(IV) bis(N,N'-dimethylformamide) solvate

Acta Crystallographica Section C

2,001

57

9

1036

1038

10.1107/S0108270101009933

0.71073

MoKα

0.0449

0.037

null

0.0938

null

1.044

null

has coordinates

Daniel E. Lynch; Helen L. Duckhouse trans-Bis(2-amino-6-nitro-1,3-benzothiazole-N)dichloroplatinum(II) tetrakis(N,N'-dimethylformamide) solvate and tetrakis(2-amino-5-methyl-1,3,4-thiadiazole-N^4^)platinum(II) hexachloroplatinate(IV) bis(N,N'-dimethylformamide) solvate A...

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/22/2012210.cif $ #-------------------------------------------------------------------...

2,012,211

9.0397

0.0004

9.3009

0.0004

11.5241

0.0005

109.027

0.002

91.85

0.003

91.785

0.003

914.61

0.07

150

2

150

2

null

7

P -1

-P 1

2

Tetrakis(2-amino-5-methyl-1,3,4-thiadiazole-N^4^)platinum(II) hexachloroplatinate(IV) bis(N,N'-dimethylformamide) solvate

- C18 H34 Cl6 N14 O2 Pt2 S4 -

1

0.5

GG1066

Daniel E. Lynch; Helen L. Duckhouse

trans-Bis(2-amino-6-nitro-1,3-benzothiazole-N)dichloroplatinum(II) tetrakis(N,N'-dimethylformamide) solvate and tetrakis(2-amino-5-methyl-1,3,4-thiadiazole-N^4^)platinum(II) hexachloroplatinate(IV) bis(N,N'-dimethylformamide) solvate

Acta Crystallographica Section C

2,001

57

9

1036

1038

10.1107/S0108270101009933

0.71073

MoKα

0.069

0.0478

null

0.1352

null

1.067

null

has coordinates,has Fobs

Daniel E. Lynch; Helen L. Duckhouse trans-Bis(2-amino-6-nitro-1,3-benzothiazole-N)dichloroplatinum(II) tetrakis(N,N'-dimethylformamide) solvate and tetrakis(2-amino-5-methyl-1,3,4-thiadiazole-N^4^)platinum(II) hexachloroplatinate(IV) bis(N,N'-dimethylformamide) solvate A...

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/22/2012211.cif $ #-------------------------------------------------------------------...

2,012,212

7.5309

0.0016

9.5789

0.0014

13.893

0.002

80.234

0.009

82.252

0.014

73.959

0.01

945.1

0.3

140

2

140

2

null

6

P -1

-P 1

2

N-[5-(4-Chlorophenyl)furan-2-ylmethyl]-4-methyl-N-prop-2- ynylbenzenesulfonamide

- C21 H18 Cl N O3 S -

- C42 H36 Cl2 N2 O6 S2 -

2

1

JZ1466

Bats, Jan W.; Frost, Tanja M.; Hashmi, A. Stephen K.

Two isomorphous benzenesulfonamide crystal structures determined by intermolecular C—H···O, C—H···π and C—H···Cl interactions

Acta Crystallographica Section C

2,001

57

9

1081

1083

10.1107/S0108270101009465

0.71073

MoKα

0.0771

0.0465

null

0.1073

null

1.032

null

has coordinates

Bats, Jan W.; Frost, Tanja M.; Hashmi, A. Stephen K. Two isomorphous benzenesulfonamide crystal structures determined by intermolecular C—H···O, C—H···π and C—H···Cl interactions Acta Crystallographica Section C 57(9) (2001) 1081-1083

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/22/2012212.cif $ #-------------------------------------------------------------------...

2,012,213

7.6526

0.0013

9.679

0.002

13.6308

0.0019

79.91

0.013

75.152

0.013

74.435

0.012

934

0.3

140

2

140

2

null

6

P -1

-P 1

2

N-[5-(2-Chlorophenyl)furan-2-ylmethyl]-4-methyl-N-prop-2- ynylbenzenesulfonamide

- C21 H18 Cl N O3 S -

- C42 H36 Cl2 N2 O6 S2 -

2

1

JZ1466

Bats, Jan W.; Frost, Tanja M.; Hashmi, A. Stephen K.

Two isomorphous benzenesulfonamide crystal structures determined by intermolecular C—H···O, C—H···π and C—H···Cl interactions

Acta Crystallographica Section C

2,001

57

9

1081

1083

10.1107/S0108270101009465

0.71073

MoKα

0.0629

0.0412

null

0.0941

null

1.036

null

has coordinates

Bats, Jan W.; Frost, Tanja M.; Hashmi, A. Stephen K. Two isomorphous benzenesulfonamide crystal structures determined by intermolecular C—H···O, C—H···π and C—H···Cl interactions Acta Crystallographica Section C 57(9) (2001) 1081-1083

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/22/2012213.cif $ #-------------------------------------------------------------------...

2,012,214

11.603

0.004

7.596

0.001

24.11

0.004

90

null

96.44

0.02

90

null

2,111.6

0.9

293

2

293

2

null

6

P 1 21/n 1

-P 2yn

14

4'-{[benzoyl(4-chlorophenylhydrazono)methyl]sulfonyl}acetanilide

- C22 H18 Cl N3 O4 S -

- C88 H72 Cl4 N12 O16 S4 -

4

1

JZ1471

Wolf, Wojciech M.

X-ray investigations of sulfur-containing fungicides. IV. 4'-{[Benzoyl(4-chlorophenylhydrazono)methyl]sulfonyl}acetanilide and 4'-{[benzoyl(4-methoxyphenylhydrazono)methyl]sulfonyl}acetanilide

Acta Crystallographica Section C

2,001

57

9

1112

1115

10.1107/S0108270101010642

0.71073

MoKα

0.087

0.05

null

0.135

null

1.059

null

has coordinates,has Fobs

Wolf, Wojciech M. X-ray investigations of sulfur-containing fungicides. IV. 4'-{[Benzoyl(4-chlorophenylhydrazono)methyl]sulfonyl}acetanilide and 4'-{[benzoyl(4-methoxyphenylhydrazono)methyl]sulfonyl}acetanilide Acta Crystallographica Section C 57(9) (2001) 1112-1115

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/22/2012214.cif $ #-------------------------------------------------------------------...

2,012,215

11.4897

0.0012

7.4158

0.0009

25.507

0.003

90

null

91.53

0.03

90

null

2,172.6

0.4

293

2

293

2

null

5

P 1 21/n 1

-P 2yn

14

4'-{[benzoyl(4-methoxyphenylhydrazono)methyl]sulfonyl}acetanilide

- C23 H21 N3 O5 S -

- C92 H84 N12 O20 S4 -

4

1

JZ1471

Wolf, Wojciech M.

X-ray investigations of sulfur-containing fungicides. IV. 4'-{[Benzoyl(4-chlorophenylhydrazono)methyl]sulfonyl}acetanilide and 4'-{[benzoyl(4-methoxyphenylhydrazono)methyl]sulfonyl}acetanilide

Acta Crystallographica Section C

2,001

57

9

1112

1115

10.1107/S0108270101010642

0.71073

MoKα

0.07

0.042

null

0.127

null

1.033

null

has coordinates,has Fobs

Wolf, Wojciech M. X-ray investigations of sulfur-containing fungicides. IV. 4'-{[Benzoyl(4-chlorophenylhydrazono)methyl]sulfonyl}acetanilide and 4'-{[benzoyl(4-methoxyphenylhydrazono)methyl]sulfonyl}acetanilide Acta Crystallographica Section C 57(9) (2001) 1112-1115

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/22/2012215.cif $ #-------------------------------------------------------------------...

2,012,216

11.0203

0.0011

12.239

0.0013

15.354

0.0015

66.785

0.007

83.551

0.005

72.854

0.008

1,818.6

0.3

293

2

293

2

null

5

P -1

-P 1

2

tetrakis(μ-2,3-dimethoxybenzoato)-κ^4^O:O';κ^6^O,O':O'- bis[(2,2'-bipyridine-N,N')(2,3-dimethoxybenzoato-O,O')lanthanum(III)]

- C74 H70 La2 N4 O24 -

1

0.5

NA1525

Zou, Ying-Quan; Li, Xia; Li, Yan; Hu, Huai-Ming

Tetrakis(μ-2,3-dimethoxybenzoato)bis[(2,2'-bipyridine)(2,3-dimethoxybenzoato)lanthanum(III)]

Acta Crystallographica Section C

2,001

57

9

1048

1050

10.1107/S0108270101009337

0.71073

MoKα

0.037

0.035

null

0.091

null

1.073

null

has coordinates,has Fobs

Zou, Ying-Quan; Li, Xia; Li, Yan; Hu, Huai-Ming Tetrakis(μ-2,3-dimethoxybenzoato)bis[(2,2'-bipyridine)(2,3-dimethoxybenzoato)lanthanum(III)] Acta Crystallographica Section C 57(9) (2001) 1048-1050

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/22/2012216.cif $ #-------------------------------------------------------------------...

2,012,217

11.295

0.001

11.295

0.001

9.2

0.001

90

null

90

null

90

null

1,173.71

0.19

293

2

293

2

null

5

I 4

79

Trans-dichloro-tetrakis(N^1^-4-methyl-1,3-pyrimidine- ruthenium(II)

- C20 H24 Cl2 N8 Ru -

- C40 H48 Cl4 N16 Ru2 -

2

0.25

NA1526

Bellucci, Cinzia; Cini, Renzo

trans-Dichlorotetrakis(4-methylpyrimidine-N^1^)ruthenium(II)

Acta Crystallographica Section C

2,001

57

9

1039

1040

10.1107/S0108270101009647

0.71073

MoKα

0.0357

0.0292

null

0.0593

null

1.047

null

has coordinates,has Fobs

Bellucci, Cinzia; Cini, Renzo trans-Dichlorotetrakis(4-methylpyrimidine-N^1^)ruthenium(II) Acta Crystallographica Section C 57(9) (2001) 1039-1040

176,435

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/22/2012217.cif $ #-------------------------------------------------------------------...

2,012,218

12.441

0.002

17.667

0.004

7.137

0.001

90

null

114.99

0.03

90

null

1,421.8

0.6

293

2

293

2

null

5

C 1 2/m 1

-C 2y

12

melaminium chloride hemihydrate

2,4,6-triamino-1,3,5-triazine-1-ium chloride hemihydrate

- C3 H8 Cl N6 O0.5 -

- C24 H64 Cl8 N48 O4 -

8

1

NA1530

Jan Janczak; Genivaldo Julio Perpétuo

Melaminium chloride hemihydrate

Acta Crystallographica Section C

2,001

57

9

1120

1122

10.1107/S0108270101011283

0.71073

MoKα

0.0579

0.0289

null

0.054

null

1.004

null

has coordinates,has Fobs

Jan Janczak; Genivaldo Julio Perpétuo Melaminium chloride hemihydrate Acta Crystallographica Section C 57(9) (2001) 1120-1122

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/22/2012218.cif $ #-------------------------------------------------------------------...

2,012,219

12.522

0.002

10.7827

0.0012

4.8838

0.0006

90

null

93.23

0.004

90

null

658.37

0.15

297

null

297

null

4

P 1 21 1

P 2yb

4

Benzimidazolium 3-nitrobenzoate

- C14 H11 N3 O4 -

- C28 H22 N6 O8 -

2

1

OB1039

Hashizume, Daisuke; Iegaki, Masataka; Yasui, Masanori; Iwasaki, Fujiko; Meng, Jiben; Wen, Zhong; Matsuura, Teruo

Two-component molecular crystals from N-heteroaromatics and nitrobenzoic acids

Acta Crystallographica Section C

2,001

57

9

1067

1072

10.1107/S0108270101009118

0.71073

MoKα

0.073

0.048

null

0.113

null

1.101

null

has coordinates,has Fobs

Hashizume, Daisuke; Iegaki, Masataka; Yasui, Masanori; Iwasaki, Fujiko; Meng, Jiben; Wen, Zhong; Matsuura, Teruo Two-component molecular crystals from N-heteroaromatics and nitrobenzoic acids Acta Crystallographica Section C 57(9) (2001) 1067-1072

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/22/2012219.cif $ #-------------------------------------------------------------------...

2,012,220

13.8524

0.0005

7.6666

0.0004

12.5193

0.0007

90

null

94.14

0.0017

90

null

1,326.09

0.11

297

null

297

null

4

P 1 21/c 1

-P 2ybc

14

Benzimidazolium 4-nitrobenzoate

- C14 H11 N3 O4 -

- C56 H44 N12 O16 -

4

1

OB1039

Hashizume, Daisuke; Iegaki, Masataka; Yasui, Masanori; Iwasaki, Fujiko; Meng, Jiben; Wen, Zhong; Matsuura, Teruo

Two-component molecular crystals from N-heteroaromatics and nitrobenzoic acids

Acta Crystallographica Section C

2,001

57

9

1067

1072

10.1107/S0108270101009118

0.71073

MoKα

0.075

0.053

null

0.153

null

1.073

null

has coordinates,has Fobs

Hashizume, Daisuke; Iegaki, Masataka; Yasui, Masanori; Iwasaki, Fujiko; Meng, Jiben; Wen, Zhong; Matsuura, Teruo Two-component molecular crystals from N-heteroaromatics and nitrobenzoic acids Acta Crystallographica Section C 57(9) (2001) 1067-1072

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/22/2012220.cif $ #-------------------------------------------------------------------...

2,012,221

14.342

0.003

5.218

0.001

18.161

0.004

90

null

105.4

0.01

90

null

1,310.3

0.5

297

null

297

null

4

P 1 21/n 1

-P 2yn

14

Benzotriazole 3-nitrobenzoic acid clathrate

- C13 H10 N4 O4 -

- C52 H40 N16 O16 -

4

1

OB1039

Hashizume, Daisuke; Iegaki, Masataka; Yasui, Masanori; Iwasaki, Fujiko; Meng, Jiben; Wen, Zhong; Matsuura, Teruo

Two-component molecular crystals from N-heteroaromatics and nitrobenzoic acids

Acta Crystallographica Section C

2,001

57

9

1067

1072

10.1107/S0108270101009118

0.71073

MoKα

0.123

0.072

null

0.184

null

1.084

null

has coordinates,has Fobs

Hashizume, Daisuke; Iegaki, Masataka; Yasui, Masanori; Iwasaki, Fujiko; Meng, Jiben; Wen, Zhong; Matsuura, Teruo Two-component molecular crystals from N-heteroaromatics and nitrobenzoic acids Acta Crystallographica Section C 57(9) (2001) 1067-1072

301,798

2025-08-19

6:41:49

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2,012,222

5.826

0.002

23.411

0.007

7.556

0.002

90

null

90.53

0.03

90

null

1,030.5

0.5

297

null

297

null

4

P 1 21/c 1

-P 2ybc

14

Imidazolium 3-nitrobenzoate

- C10 H9 N3 O4 -

- C40 H36 N12 O16 -

4

1

OB1039

Hashizume, Daisuke; Iegaki, Masataka; Yasui, Masanori; Iwasaki, Fujiko; Meng, Jiben; Wen, Zhong; Matsuura, Teruo

Two-component molecular crystals from N-heteroaromatics and nitrobenzoic acids

Acta Crystallographica Section C

2,001

57

9

1067

1072

10.1107/S0108270101009118

0.71073

MoKα

0.147

0.044

null

0.131

null

0.978

null

has coordinates,has Fobs

Hashizume, Daisuke; Iegaki, Masataka; Yasui, Masanori; Iwasaki, Fujiko; Meng, Jiben; Wen, Zhong; Matsuura, Teruo Two-component molecular crystals from N-heteroaromatics and nitrobenzoic acids Acta Crystallographica Section C 57(9) (2001) 1067-1072

301,798

2025-08-19

6:41:49

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2,012,223

7.5395

0.0007

11.8374

0.0015

5.9689

0.0012

100.145

0.014

90.731

0.013

102.998

0.009

510.19

0.13

297

null

297

null

4

P -1

-P 1

2

Imidazolium 4-nitrobenzoate

- C10 H9 N3 O4 -

- C20 H18 N6 O8 -

2

1

OB1039

Hashizume, Daisuke; Iegaki, Masataka; Yasui, Masanori; Iwasaki, Fujiko; Meng, Jiben; Wen, Zhong; Matsuura, Teruo

Two-component molecular crystals from N-heteroaromatics and nitrobenzoic acids

Acta Crystallographica Section C

2,001

57

9

1067

1072

10.1107/S0108270101009118

0.71073

MoKα

0.106

0.047

null

0.14

null

0.999

null

has coordinates,has Fobs

Hashizume, Daisuke; Iegaki, Masataka; Yasui, Masanori; Iwasaki, Fujiko; Meng, Jiben; Wen, Zhong; Matsuura, Teruo Two-component molecular crystals from N-heteroaromatics and nitrobenzoic acids Acta Crystallographica Section C 57(9) (2001) 1067-1072

301,798

2025-08-19

6:41:49

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2,012,224

5.639

0.003

15.073

0.008

21.113

0.007

90

null

90

null

90

null

1,794.5

1.5

293

null

293

null

4

P 21 21 21

P 2ac 2ab

19

- C20 H25 N O2 -

- C80 H100 N4 O8 -

4

1

SK1479

Drouard, David; Py, Sandrine; Averbuch, Marie-Thérèse; Philouze, Christian; Vallée, Yannick

(1S)-(Z)-2-Benzyloxy-N-(3-methyl-1-butylidene)-1-phenylethylamine N-oxide

Acta Crystallographica Section C

2,001

57

9

1079

1080

10.1107/S0108270101009477

0.71073

MoKα

0.0556

null

0.0397

null

0.0397

null

1.995

null

1.995

null

has coordinates,has Fobs

Drouard, David; Py, Sandrine; Averbuch, Marie-Thérèse; Philouze, Christian; Vallée, Yannick (1S)-(Z)-2-Benzyloxy-N-(3-methyl-1-butylidene)-1-phenylethylamine N-oxide Acta Crystallographica Section C 57(9) (2001) 1079-1080

301,798

2025-08-19

6:41:49

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2,012,225

11.583

0.001

12.842

0.002

20.728

0.003

96.7

0.01

98.76

0.01

113.2

0.01

2,747.4

0.7

293

2

293

2

null

7

P -1

-P 1

2

(μ-dicyclohexylphosphine)-heptacarbonyl-eq-triphenylphosphine- triphenylphosphine-silver-manganese-rhenium

- C55 H52 Ag Mn O7 P3 Re -

- C110 H104 Ag2 Mn2 O14 P6 Re2 -

2

1

SK1486

Flörke, Ulrich; Petters, Dina

The first example of a silver‒manganese‒rhenium cluster complex: heptacarbonyl-1κ^3^C,2κ^4^C-μ-dicyclohexylphosphido-1:2κ^2^P-bis(triphenylphosphine)-1κP,3κP-triangulo-manganeserheniumsilver with disordered solvent

Acta Crystallographica Section C

2,001

57

9

1044

1045

10.1107/S0108270101009696

0.71073

MoKα

0.0671

0.0383

null

0.0866

null

0.893

null

has coordinates

Flörke, Ulrich; Petters, Dina The first example of a silver‒manganese‒rhenium cluster complex: heptacarbonyl-1κ^3^C,2κ^4^C-μ-dicyclohexylphosphido-1:2κ^2^P-bis(triphenylphosphine)-1κP,3κP-triangulo-manganeserheniumsilver with disordered solvent Acta Crystallographica Section C ...

176,760

2020-10-21

18:00:00

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2,012,226

13.4836

0.0003

13.1345

0.0003

14.6532

0.0003

90

null

102.057

0.0013

90

null

2,537.84

0.1

120

2

null

6

P 1 21/c 1

-P 2ybc

14

- C28 H28 Cl N O4 S -

- C112 H112 Cl4 N4 O16 S4 -

4

1

SK1487

Vega, Daniel; Fernández, Daniel; Ellena, Javier A.

1-(2-{4-[6-Hydroxy-2-(4-hydroxyphenyl)benzo[b]thiol-3-ylcarbonyl]phenoxy}ethyl)piperidinium chloride

Acta Crystallographica Section C

2,001

57

9

1092

1094

10.1107/S0108270101009763

0.71073

MoKα

null

0.0438

null

0.1422

null

1.089

null

has coordinates,has Fobs

Vega, Daniel; Fernández, Daniel; Ellena, Javier A. 1-(2-{4-[6-Hydroxy-2-(4-hydroxyphenyl)benzo[b]thiol-3-ylcarbonyl]phenoxy}ethyl)piperidinium chloride Acta Crystallographica Section C 57(9) (2001) 1092-1094

301,798

2025-08-19

6:41:49

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2,012,227

8.8407

0.0001

10.5562

0.0001

28.2974

0.0004

90

null

90

null

90

null

2,640.83

0.05

160

1

160

1

null

5

P 21 21 21

P 2ac 2ab

19

3-O-acetyl-4-deoxy-4-iodo-β-D-fructofuranosyl 2,3,6-tri-O-acetyl-4-chloro-4-deoxy-α-D-glucopyranoside

- C20 H28 Cl I O13 -

- C80 H112 Cl4 I4 O52 -

4

1

SK1489

Linden, Anthony; Lee, C. Kuan; Muhammad Sofian, A. S.

3-O-Acetyl-4-deoxy-4-iodo-β-D-fructofuranosyl 2,3,6-tri-O-acetyl-4-chloro-4-deoxy-α-D-glucopyranoside

Acta Crystallographica Section C

2,001

57

9

1098

1100

10.1107/S0108270101009994

0.71073

MoKα

0.0443

0.0347

null

0.076

null

1.027

null

has coordinates,has Fobs

Linden, Anthony; Lee, C. Kuan; Muhammad Sofian, A. S. 3-O-Acetyl-4-deoxy-4-iodo-β-D-fructofuranosyl 2,3,6-tri-O-acetyl-4-chloro-4-deoxy-α-D-glucopyranoside Acta Crystallographica Section C 57(9) (2001) 1098-1100

301,798

2025-08-19

6:41:49

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2,012,228

9.2081

0.0004

9.4835

0.0004

11.1287

0.0006

100.574

0.001

101.751

0.001

111.882

0.001

846.14

0.07

293

2

293

2

null

5

P -1

-P 1

2

Methyl (SR)-10-chloro-1,2,3,4,5,6-hexahydro-6-hydroxy-8-methoxy-1-methyl- 1,9-phenanthroline-6-carboxylate

- C16 H19 Cl N2 O4 -

- C32 H38 Cl2 N4 O8 -

2

1

SK1492

Usman, Anwar; Razak, Ibrahim Abdul; Chantrapromma, Suchada; Fun, Hoong-Kun; Sarkar, Tarun K.; Basak, Sankar; Nigam, Gur Dayal

Methyl (SR)-10-chloro-1,2,3,4,5,6-hexahydro-6-hydroxy-8-methoxy-1-methyl-1,9-phenanthroline-6-carboxylate

Acta Crystallographica Section C

2,001

57

9

1116

1117

10.1107/S0108270101010770

0.71073

MoKα

0.111

0.076

null

0.209

null

0.939

null

has coordinates,has Fobs

Usman, Anwar; Razak, Ibrahim Abdul; Chantrapromma, Suchada; Fun, Hoong-Kun; Sarkar, Tarun K.; Basak, Sankar; Nigam, Gur Dayal Methyl (SR)-10-chloro-1,2,3,4,5,6-hexahydro-6-hydroxy-8-methoxy-1-methyl-1,9-phenanthroline-6-carboxylate Acta Crystallographica Section C 57(9) (2001) 1116-1117

301,798

2025-08-19

6:41:49

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2,012,229

6.2303

0.0001

20.561

0.0003

10.7476

0.0002

90

null

96.665

0.001

90

null

1,367.48

0.04

293

2

293

2

null

3

P 1 21 1

P 2yb

4

1,4-Methano-11a-methyl-2,3,4,4a,11,11a-hexahydro-1H-benzo[b]fluoren-11-one

- C19 H16 O -

- C76 H64 O4 -

4

2

SK1493

Anwar Usman; Ibrahim Abdul Razak; Suchada Chantrapromma; Sujit K. Ghorai; Dipakranjan Mal; Hoong-Kun Fun; Gur Dayal Nigam

1,4-Methano-11a-methyl-4,4a,11,11a-tetrahydro-1H-benzo[b]fluoren-11-one

Acta Crystallographica Section C

2,001

57

9

1118

1119

10.1107/S0108270101010976

0.71073

MoKα

0.0659

0.0516

null

0.131

null

0.987

null

has coordinates,has Fobs

Anwar Usman; Ibrahim Abdul Razak; Suchada Chantrapromma; Sujit K. Ghorai; Dipakranjan Mal; Hoong-Kun Fun; Gur Dayal Nigam 1,4-Methano-11a-methyl-4,4a,11,11a-tetrahydro-1H-benzo[b]fluoren-11-one Acta Crystallographica Section C 57(9) (2001) 1118-1119

301,798

2025-08-19

6:41:49

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2,012,230

7.2343

0.0013

26.691

0.004

12.745

0.002

90

null

104.51

0.016

90

null

2,382.4

0.7

293

2

293

2

null

6

P 1 21/c 1

-P 2ybc

14

- C21 H13 N6 Ni O2 S4 -

- C84 H52 N24 Ni4 O8 S16 -

4

1

TA1318

Ren, Xiao-Ming; Li, Hai-Fang; Wu, Pei-Heng; Meng, Qing-Jin

2-Methyl-1-(4-nitrobenzyl)pyridinium bis(maleonitriledithiolato)nickelate(III)

Acta Crystallographica Section C

2,001

57

9

1022

1024

10.1107/S0108270101009064

0.71073

MoKα

0.0917

0.0479

null

0.1241

null

1.044

null

has coordinates,has Fobs

Ren, Xiao-Ming; Li, Hai-Fang; Wu, Pei-Heng; Meng, Qing-Jin 2-Methyl-1-(4-nitrobenzyl)pyridinium bis(maleonitriledithiolato)nickelate(III) Acta Crystallographica Section C 57(9) (2001) 1022-1024

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/22/2012230.cif $ #-------------------------------------------------------------------...

2,012,231

14.722

0.001

10.225

0.001

22.319

0.002

90

null

100.35

0.01

90

null

3,305.1

0.5

298

null

298

null

5

P 1 21/n 1

-P 2yn

14

Porphycene

Chloro[(3,6,13,16-tetraethyl-2,7,12,17-tetramethylporphycenato)iron(III)] chloroform solvate

- C33 H37 Cl4 Fe N4 -

- C132 H148 Cl16 Fe4 N16 -

4

1

TA1328

Ohgo, Yoshiki; Neya, Saburo; Ikeue, Takahisa; Funasaki, Noriaki; Nakamura, Mikio

Chloro(3,6,13,16-tetraethyl-2,7,12,17-tetramethylporphycenato-κ^4^N)iron(III) chloroform solvate

Acta Crystallographica Section C

2,001

57

9

1046

1047

10.1107/S0108270101009842

0.71069

MoKα

0.1039

0.07

null

0.2053

null

1.084

null

has coordinates,has disorder,has Fobs

Ohgo, Yoshiki; Neya, Saburo; Ikeue, Takahisa; Funasaki, Noriaki; Nakamura, Mikio Chloro(3,6,13,16-tetraethyl-2,7,12,17-tetramethylporphycenato-κ^4^N)iron(III) chloroform solvate Acta Crystallographica Section C 57(9) (2001) 1046-1047

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/22/2012231.cif $ #-------------------------------------------------------------------...

2,012,232

6.5376

0.0003

11.8766

0.001

13.5312

0.0015

90

null

91.197

0.012

90

null

1,050.39

0.15

293

2

293

2

null

4

P 1 21 1

P 2yb

4

17-Oxo-16-(2-pyridylmethylene)-androst-5-en-3β-ol monohydrate

- C25 H33 N O3 -

- C50 H66 N2 O6 -

2

1

VJ1136

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

17-Oxo-16-(2-pyridylmethylene)androst-5-en-3β-ol monohydrate

Acta Crystallographica Section C

2,001

57

9

1062

1063

10.1107/S010827010100912X

1.5418

CuKα

0.0422

0.0389

null

0.1165

null

1.143

null

has coordinates,has Fobs

Vasuki, G.; Parthasarathi, V.; Ramamurthi, K.; Jindal, D. P.; Dubey, S. 17-Oxo-16-(2-pyridylmethylene)androst-5-en-3β-ol monohydrate Acta Crystallographica Section C 57(9) (2001) 1062-1063

301,798

2025-08-19

6:41:49

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2,012,233

7.734

0.005

8.432

0.003

9.782

0.004

95.88

0.04

112.78

0.04

92.09

0.04

583

0.5

293

2

293

2

null

5

P -1

-P 1

2

Copper(II) acetate 4-cyanopyridine adduct

tetrakis(μ-acetato-O,O')bis(4-cyanopyridine-N)dicopper(II)

- C20 H20 Cu2 N4 O8 -

1

0.5

VJ1144

Das, Birinchi K.; Barman, Rama K.

Tetrakis(μ-acetato-O,O')bis[(4-cyanopyridine-N)copper(II)]

Acta Crystallographica Section C

2,001

57

9

1025

1026

10.1107/S0108270101009052

0.7107

MoKα

0.031

0.026

null

0.072

null

1.106

null

has coordinates,has Fobs

Das, Birinchi K.; Barman, Rama K. Tetrakis(μ-acetato-O,O')bis[(4-cyanopyridine-N)copper(II)] Acta Crystallographica Section C 57(9) (2001) 1025-1026

301,798

2025-08-19

6:41:49

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2,012,234

13.0982

0.0003

12.8311

0.0003

17.8255

0.0003

90

null

91.6958

0.0012

90

null

2,994.52

0.11

293

2

293

2

null

5

P 1 21/c 1

-P 2ybc

14

Pyridinium tetrakis(nitrato-κ^2^O,O')(2,2':6',2''-terpyridine-κ^3^N)cerate(III) pyridine solvate

- C25 H22 Ce N9 O12 -

- C100 H88 Ce4 N36 O48 -

4

1

AV1079

Grigoriev, Mikhail S.; Den Auwer, Christophe; Madic, Charles

Pyridinium tetrakis(nitrato-κ^2^O,O')(2,2':6',2''-terpyridine-κ^3^N)cerate(III) pyridine solvate and bis(methanol-κO)tris(nitrato-κ^2^O,O')(2,2':6',2''-terpyridine-κ^3^N)cerium(III)

Acta Crystallographica Section C

2,001

57

10

1141

1143

10.1107/S0108270101010678

0.71073

MoKα

0.066

0.042

null

0.082

null

1.053

null

has coordinates

Grigoriev, Mikhail S.; Den Auwer, Christophe; Madic, Charles Pyridinium tetrakis(nitrato-κ^2^O,O')(2,2':6',2''-terpyridine-κ^3^N)cerate(III) pyridine solvate and bis(methanol-κO)tris(nitrato-κ^2^O,O')(2,2':6',2''-terpyridine-κ^3^N)cerium(III) Acta Crystallographica Secti...

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/22/2012234.cif $ #-------------------------------------------------------------------...

2,012,235

7.746

0.0002

12.228

0.0003

12.3405

0.0003

91.253

0.002

103.238

0.002

96.51

0.002

1,129.09

0.05

293

2

293

2

null

5

P -1

-P 1

2

bis(methanol-κO)tris(nitrato-κ^2^O,O')(2,2':6',2''-terpyridine-κ^3^N) cerium(III)

- C17 H19 Ce N6 O11 -

- C34 H38 Ce2 N12 O22 -

2

1

AV1079

Grigoriev, Mikhail S.; Den Auwer, Christophe; Madic, Charles

Pyridinium tetrakis(nitrato-κ^2^O,O')(2,2':6',2''-terpyridine-κ^3^N)cerate(III) pyridine solvate and bis(methanol-κO)tris(nitrato-κ^2^O,O')(2,2':6',2''-terpyridine-κ^3^N)cerium(III)

Acta Crystallographica Section C

2,001

57

10

1141

1143

10.1107/S0108270101010678

0.71073

MoKα

0.035

0.033

null

0.087

null

1.023

null

has coordinates

Grigoriev, Mikhail S.; Den Auwer, Christophe; Madic, Charles Pyridinium tetrakis(nitrato-κ^2^O,O')(2,2':6',2''-terpyridine-κ^3^N)cerate(III) pyridine solvate and bis(methanol-κO)tris(nitrato-κ^2^O,O')(2,2':6',2''-terpyridine-κ^3^N)cerium(III) Acta Crystallographica Secti...

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/22/2012235.cif $ #-------------------------------------------------------------------...

2,012,236

7.116

0.002

9.452

0.002

13.895

0.003

86.43

0.02

84.17

0.02

68.42

0.02

864.3

0.4

293

2

293

2

null

4

P -1

-P 1

2

1-(2-hydroxy-5-nitrophenyl)-1H-tetrazole

- C7 H5 N5 O3 -

- C28 H20 N20 O12 -

4

2

AV1080

Lyakhov, Alexander S.; Gaponik, Pavel N.; Voitekhovich, Sergei V.; Ivashkevich, Ludmila S.; Kulak, Alexander A.

4-Nitro-2-(1H-tetrazol-1-yl)phenol

Acta Crystallographica Section C

2,001

57

10

1204

1206

10.1107/S0108270101012100

0.71069

MoKα

0.0599

0.0451

null

0.1433

null

1.041

null

has coordinates,has Fobs

Lyakhov, Alexander S.; Gaponik, Pavel N.; Voitekhovich, Sergei V.; Ivashkevich, Ludmila S.; Kulak, Alexander A. 4-Nitro-2-(1H-tetrazol-1-yl)phenol Acta Crystallographica Section C 57(10) (2001) 1204-1206

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/22/2012236.cif $ #-------------------------------------------------------------------...

2,012,237

4.3449

0.0002

6.2955

0.0003

8.5432

0.0005

105.24

0.005

92.743

0.004

96.356

0.004

223.36

0.02

293

2

293

2

null

4

P -1

-P 1

2

1-Amino-2-nitraminoethane

- C2 H7 N3 O2 -

- C4 H14 N6 O4 -

2

1

AV1081

Vasiliev, Alexander D.; Astachov, Alexander M.; Kekin, Yuri V.; Kruglyakova, Ludmila A.; Stepanov, Rudolf S.

1-Amino-2-nitraminoethane

Acta Crystallographica Section C

2,001

57

10

1192

1193

10.1107/S0108270101011404

1.5418

CuKα

0.032

0.029

null

0.082

null

1.024

null

has coordinates,has Fobs

Vasiliev, Alexander D.; Astachov, Alexander M.; Kekin, Yuri V.; Kruglyakova, Ludmila A.; Stepanov, Rudolf S. 1-Amino-2-nitraminoethane Acta Crystallographica Section C 57(10) (2001) 1192-1193

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/22/2012237.cif $ #-------------------------------------------------------------------...

2,012,238

8.502

0.008

10.939

0.014

11.814

0.007

66.39

0.09

81.63

0.07

81.74

0.1

991.6

1.8

293

2

293

2

null

5

P -1

-P 1

2

- C30 H64 N12 O6 P4 -

1

0.5

AV1085

Öztürk, Levent; Hökelek, Tuncer; Işıklan, Muhammed; Kılıç, Zeynel

trans-2,4,4,6,8,8-Hexamorpholino-2,6-bis(n-propylamino)cyclo-2λ^5^,4λ^5^,6λ^5^,8λ^5^-tetraphosphazatetraene

Acta Crystallographica Section C

2,001

57

10

1228

1230

10.1107/S010827010101441X

0.71073

MoKα

0.1245

0.069

null

0.1828

null

0.885

null

has coordinates

Öztürk, Levent; Hökelek, Tuncer; Işıklan, Muhammed; Kılıç, Zeynel trans-2,4,4,6,8,8-Hexamorpholino-2,6-bis(n-propylamino)cyclo-2λ^5^,4λ^5^,6λ^5^,8λ^5^-tetraphosphazatetraene Acta Crystallographica Section C 57(10) (2001) 1228-1230

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/22/2012238.cif $ #-------------------------------------------------------------------...

2,012,239

6.463

0.0003

8.308

0.0005

16.353

0.0009

77.095

0.003

86.747

0.003

67.554

0.003

790.65

0.08

150

null

150

null

4

P -1

-P 1

2

2-[1-(Hydroxyimino)ethyl]-2,5,5-trimethylperhydropyrimidine-butane-2,3-dione monoxime (1/1)

- C13 H26 N4 O3 -

- C26 H52 N8 O6 -

2

1

BJ1033

Elerman, Yalc̨ın; Kara, Hülya; Prout, Keith; Johnston, Andrew

2-[1-(Hydroxyimino)ethyl]-2,5,5-trimethylperhydropyrimidine–butane-2,3-dione monooxime (1/1)

Acta Crystallographica Section C

2,001

57

10

1222

1224

10.1107/S0108270101012926

0.71069

MoKα

null

0.045

null

0.048

null

0.942

null

has coordinates

Elerman, Yalc̨ın; Kara, Hülya; Prout, Keith; Johnston, Andrew 2-[1-(Hydroxyimino)ethyl]-2,5,5-trimethylperhydropyrimidine–butane-2,3-dione monooxime (1/1) Acta Crystallographica Section C 57(10) (2001) 1222-1224

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/22/2012239.cif $ #-------------------------------------------------------------------...

2,012,240

5.4565

0.0005

7.3922

0.0007

13.4798

0.0012

99.197

0.002

90.039

0.002

101.465

0.002

525.72

0.08

293

2

293

2

null

5

P -1

-P 1

2

(BPDS)(β-Alanine)2

Bis(β-alaninium) 4,4'-biphenyldisulfonate

- C18 H24 N2 O10 S2 -

1

0.5

BK1608

Liao, Cheng-Zhu; Feng, Xiao-Long; Yao, Jun-Hua; Cai, Jiwen

Bis(β-alaninium) biphenyl-4,4'-disulfonate

Acta Crystallographica Section C

2,001

57

10

1215

1216

10.1107/S0108270101012355

0.71073

MoKα

0.039

0.035

null

0.114

null

1.085

null

has coordinates,has Fobs

Liao, Cheng-Zhu; Feng, Xiao-Long; Yao, Jun-Hua; Cai, Jiwen Bis(β-alaninium) biphenyl-4,4'-disulfonate Acta Crystallographica Section C 57(10) (2001) 1215-1216

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/22/2012240.cif $ #-------------------------------------------------------------------...

2,012,241

21.565

0.004

9.002

0.002

18.396

0.004

90

null

105.93

0.03

90

null

3,434

1.3

293

2

293

2

null

6

C 1 2/c 1

-C 2yc

15

tricarbonyl-tris(pyrazol-1-yl)methane rhenium(I) bromide

- C13 H10 Br N6 O3 Re -

- C104 H80 Br8 N48 O24 Re8 -

8

1

BK1610

Gibson, Dorothy H.; Mashuta, Mark S.; He, Haiyang

Tricarbonyl[1,1',1''-ethylidynetris(pyrazole-κN^2^)]rhenium(I) bromide and tricarbonyl[methylidynetris(pyrazole-κN^2^)]rhenium(I) iodide ethanol hemisolvate

Acta Crystallographica Section C

2,001

57

10

1135

1137

10.1107/S0108270101009349

0.71073

MoKα

0.047

0.029

null

0.071

null

1.06

null

has coordinates

Gibson, Dorothy H.; Mashuta, Mark S.; He, Haiyang Tricarbonyl[1,1',1''-ethylidynetris(pyrazole-κN^2^)]rhenium(I) bromide and tricarbonyl[methylidynetris(pyrazole-κN^2^)]rhenium(I) iodide ethanol hemisolvate Acta Crystallographica Section C 57(10) (2001) 1135-1137

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/22/2012241.cif $ #-------------------------------------------------------------------...

2,012,242

12.361

0.003

11.803

0.002

15.543

0.003

90

null

108.83

0.03

90

null

2,146.3

0.8

293

2

293

2

null

6

P 1 21/n 1

-P 2yn

14

tricarbonyl-methyltris(pyrazol-1-yl)methane rhenium(I) iodide ethanol hemisolvate

tricarbonyl-methyltris(pyrazol-1-yl)methane rhenium(I) iodide ethanol solvate

- C15 H15 I N6 O3.5 Re -

- C15 H12 I N6 O3.5 Re -

- C60 H48 I4 N24 O14 Re4 -

4

1

BK1610

Gibson, Dorothy H.; Mashuta, Mark S.; He, Haiyang

Tricarbonyl[1,1',1''-ethylidynetris(pyrazole-κN^2^)]rhenium(I) bromide and tricarbonyl[methylidynetris(pyrazole-κN^2^)]rhenium(I) iodide ethanol hemisolvate

Acta Crystallographica Section C

2,001

57

10

1135

1137

10.1107/S0108270101009349

0.71073

MoKα

0.056

0.045

null

0.123

null

1.121

null

has coordinates

Gibson, Dorothy H.; Mashuta, Mark S.; He, Haiyang Tricarbonyl[1,1',1''-ethylidynetris(pyrazole-κN^2^)]rhenium(I) bromide and tricarbonyl[methylidynetris(pyrazole-κN^2^)]rhenium(I) iodide ethanol hemisolvate Acta Crystallographica Section C 57(10) (2001) 1135-1137

176,435

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/22/2012242.cif $ #-------------------------------------------------------------------...

2,012,243

9.0151

0.0007

12.7805

0.0014

10.64

0.0012

90

null

105.497

0.007

90

null

1,181.3

0.2

293

2

293

2

null

4

P 1 21/c 1

-P 2ybc

14

1-[(2-phenylsulfanyl)phenyl]ethanone

- C14 H12 O S -

- C56 H48 O4 S4 -

4

1

BM1449

Creed, Tim; Leardini, Rino; McNab, Hamish; Nanni, Daniele; Nicolson, Iain S.; Parkin, Andrew; Parsons, Simon

Short intramolecular S···O interactions in S-substituted 2-mercaptoacetophenones

Acta Crystallographica Section C

2,001

57

10

1174

1176

10.1107/S0108270101008216

1.54178

CuKα

0.0452

0.0386

null

0.1102

null

1.072

null

has coordinates,has Fobs

Creed, Tim; Leardini, Rino; McNab, Hamish; Nanni, Daniele; Nicolson, Iain S.; Parkin, Andrew; Parsons, Simon Short intramolecular S···O interactions in S-substituted 2-mercaptoacetophenones Acta Crystallographica Section C 57(10) (2001) 1174-1176

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/22/2012243.cif $ #-------------------------------------------------------------------...

2,012,244

7.8838

0.0018

14.719

0.003

21.277

0.004

90

null

90

null

90

null

2,469

0.9

150

2

150

2

null

4

P b c a

-P 2ac 2ab

61

1-[(2-phenylmethylsulfanyl)phenyl]ethanone

- C15 H14 O S -

- C120 H112 O8 S8 -

8

1

BM1449

Creed, Tim; Leardini, Rino; McNab, Hamish; Nanni, Daniele; Nicolson, Iain S.; Parkin, Andrew; Parsons, Simon

Short intramolecular S···O interactions in S-substituted 2-mercaptoacetophenones

Acta Crystallographica Section C

2,001

57

10

1174

1176

10.1107/S0108270101008216

1.54178

CuKα

0.0415

0.0328

null

0.0868

null

1.015

null

has coordinates,has Fobs

Creed, Tim; Leardini, Rino; McNab, Hamish; Nanni, Daniele; Nicolson, Iain S.; Parkin, Andrew; Parsons, Simon Short intramolecular S···O interactions in S-substituted 2-mercaptoacetophenones Acta Crystallographica Section C 57(10) (2001) 1174-1176

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/22/2012244.cif $ #-------------------------------------------------------------------...

2,012,245

17.146

0.002

10.938

0.0016

18.965

0.009

90

null

109.96

0.02

90

null

3,343.1

1.8

293

2

293

2

null

5

P 1 21/c 1

-P 2ybc

14

2-benzoyl-1,3,5-O-methylidyneinositol 4,6-cyclophosphate, potassium- 18-crown-6 salt

- C26 H42 K O18 P -

- C26 H36 K O18 P -

- C104 H144 K4 O72 P4 -

4

1

BM1456

Kumara Swamy, K. C.; Kumaraswamy, Sudha

A potassium‒18-crown-6 salt of a cyclic myo-inositol phosphate

Acta Crystallographica Section C

2,001

57

10

1147

1148

10.1107/S0108270101011222

0.71073

MoKα

0.1242

0.0588

null

0.1981

null

1.04

null

has coordinates

Kumara Swamy, K. C.; Kumaraswamy, Sudha A potassium‒18-crown-6 salt of a cyclic myo-inositol phosphate Acta Crystallographica Section C 57(10) (2001) 1147-1148

176,432

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176432 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/22/2012245.cif $ #-------------------------------------------------------------------...

2,012,246

8.352

0.005

8.352

0.005

8.352

0.005

90

null

90

null

90

null

582.6

0.6

293

2

293

2

null

3

P 21 3

P 2ac 2ab 3

198

Tripotassium trioxoantimonate(III)

- K3 O3 Sb -

- K12 O12 Sb4 -

4

0.333333

BR1326

Emmerling, Franziska; Röhr, Caroline

Alkaline metal oxoantimonates(III), A~3~[SbO~3~] (A = K or Cs)

Acta Crystallographica Section C

2,001

57

10

1127

1128

10.1107/S0108270101006230

0.7107

MoKα

0.045

0.026

null

0.054

null

1.043

null

has coordinates,has Fobs

Emmerling, Franziska; Röhr, Caroline Alkaline metal oxoantimonates(III), A~3~[SbO~3~] (A = K or Cs) Acta Crystallographica Section C 57(10) (2001) 1127-1128

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/22/2012246.cif $ #-------------------------------------------------------------------...

2,012,247

9.1369

0.001

9.1369

0.001

9.1369

0.001

90

null

90

null

90

null

762.78

0.14

293

2

293

2

null

3

P 21 3

P 2ac 2ab 3

198

Tricaesium trioxoantimonate(III)

- Cs3 O3 Sb -

- Cs12 O12 Sb4 -

4

0.333333

BR1326

Emmerling, Franziska; Röhr, Caroline

Alkaline metal oxoantimonates(III), A~3~[SbO~3~] (A = K or Cs)

Acta Crystallographica Section C

2,001

57

10

1127

1128

10.1107/S0108270101006230

0.7107

MoKα

0.023

0.014

null

0.036

null

1.07

null

has coordinates,has Fobs

Emmerling, Franziska; Röhr, Caroline Alkaline metal oxoantimonates(III), A~3~[SbO~3~] (A = K or Cs) Acta Crystallographica Section C 57(10) (2001) 1127-1128

176,435

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/22/2012247.cif $ #-------------------------------------------------------------------...

2,012,248

6.1677

0.0001

15.7416

0.0003

10.5141

0.0002

90

null

90.763

0.001

90

null

1,020.72

0.03

100

2

100

2

null

3

P 1 21 1

P 2yb

4

Cinnamoyl shikonin

1-(5,8-dihydro-1,4-dihydroxy-5,8-dioxo-2-naphthyl)-4-methylpent-3-en-1-yl cinnamate

- C25 H22 O6 -

- C50 H44 O12 -

2

1

DE1171

Sarkhel, Sanjay; Shefali; Mathad, Vijayvitthal T.; Raj, Kanwal; Bhaduri, Amiya P.; Maulik, Prakas R.; Broder, Charlotte K.; Howard, Judith A. K.

Cinnamoyl shikonin

Acta Crystallographica Section C

2,001

57

10

1199

1200

10.1107/S0108270101011842

0.71073

MoKα

0.05

0.041

null

0.096

null

1.093

null

has coordinates,has Fobs

Sarkhel, Sanjay; Shefali; Mathad, Vijayvitthal T.; Raj, Kanwal; Bhaduri, Amiya P.; Maulik, Prakas R.; Broder, Charlotte K.; Howard, Judith A. K. Cinnamoyl shikonin Acta Crystallographica Section C 57(10) (2001) 1199-1200

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/22/2012248.cif $ #-------------------------------------------------------------------...

2,012,249

14.329

0.003

5.2662

0.0011

9.1129

0.0018

90

null

119.1

0.03

90

null

600.9

0.3

293

2

293

2

null

5

C 1 c 1

C -2yc

9

Glycine sodium nitrate

- C2 H5 N2 Na O5 -

- C8 H20 N8 Na4 O20 -

4

1

FG1628

Krishnakumar, R. V.; Nandhini, M. Subha; Natarajan, S.; Sivakumar, K.; Varghese, Babu

Glycine sodium nitrate

Acta Crystallographica Section C

2,001

57

10

1149

1150

10.1107/S0108270101011520

0.71073

MoKα

0.029

null

0.078

null

1.071

null

has coordinates,has Fobs

Krishnakumar, R. V.; Nandhini, M. Subha; Natarajan, S.; Sivakumar, K.; Varghese, Babu Glycine sodium nitrate Acta Crystallographica Section C 57(10) (2001) 1149-1150

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/22/2012249.cif $ #-------------------------------------------------------------------...

2,012,250

9.257

0.006

10.483

0.002

10.6838

0.0017

103.807

0.012

92.84

0.03

103.09

0.05

974.7

0.7

298

2

298

2

null

7

P -1

-P 1

2

fac-Re(CO)3~dpk.oxime)Cl.dmso

fac-tricarbonylchloro(di-2-pyridyl ketone oxime)rhenium(I) dimethyl sulfoxide solvate

- C16 H15 Cl N3 O5 Re S -

- C32 H30 Cl2 N6 O10 Re2 S2 -

2

1

FG1636

Bakir, Mohammed

The first pyridyl N,N'-coordinated di-2-pyridyl ketone oxime, fac-tricarbonylchloro(di-2-pyridyl ketone oxime)rhenium(I) dimethyl sulfoxide solvate

Acta Crystallographica Section C

2,001

57

10

1154

1156

10.1107/S0108270101009593

0.71073

MoKα

0.036

0.033

null

0.096

null

1.029

null

has coordinates,has Fobs

Bakir, Mohammed The first pyridyl N,N'-coordinated di-2-pyridyl ketone oxime, fac-tricarbonylchloro(di-2-pyridyl ketone oxime)rhenium(I) dimethyl sulfoxide solvate Acta Crystallographica Section C 57(10) (2001) 1154-1156

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/22/2012250.cif $ #-------------------------------------------------------------------...

2,012,251

11.8728

0.0017

12.5961

0.0017

13.903

0.002

91.553

0.002

105.95

0.002

115.017

0.002

1,786.9

0.4

293

2

293

2

null

7

P -1

-P 1

2

[Cu(en)2(H2O)2][Ni(en)3]2(2,6nds)3.4H2O

Diaquabis(ethylenediamine)copper(II) bis[tris(ethylenediamine)nickel(II)] tris(naphthalene-2,6-disulfonate) tetrahydrate

- C46 H94 Cu N16 Ni2 O24 S6 -

1

0.5

FR1340

Cai, Jiwen; Feng, Xiao-Long; Hu, Xiao-Peng

Diaquabis(ethylenediamine)copper(II) bis[tris(ethylenediamine)nickel(II)] tris(naphthalene-2,6-disulfonate) tetrahydrate

Acta Crystallographica Section C

2,001

57

10

1168

1170

10.1107/S0108270101013324

0.71073

MoKα

0.0437

0.0369

null

0.1114

null

1.07

null

has coordinates

Cai, Jiwen; Feng, Xiao-Long; Hu, Xiao-Peng Diaquabis(ethylenediamine)copper(II) bis[tris(ethylenediamine)nickel(II)] tris(naphthalene-2,6-disulfonate) tetrahydrate Acta Crystallographica Section C 57(10) (2001) 1168-1170

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/22/2012251.cif $ #-------------------------------------------------------------------...

2,012,252

21.604

0.004

7.268

0.001

12.436

0.002

90

null

90

null

90

null

1,952.7

0.5

11

2

11

2

null

5

P c c n

-P 2ab 2ac

56

bis(N-phenylacetamidino)ReCl~4~

Tetrachlorobis(N^1^-phenylacetamidino-N^2^)rhenium(IV)

- C16 H20 Cl4 N4 Re -

- C64 H80 Cl16 N16 Re4 -

4

0.5

GD1153

Figgis, Brian N.; Sobolev, Alexandre N.; Schultz, Arthur J.; Reynolds, Philip A.

Tetrachlorobis(N^1^-phenylacetamidino-κN^2^)rhenium(IV) at 11K by X-ray diffraction and at 20K by neutron diffraction

Acta Crystallographica Section C

2,001

57

10

1151

1153

10.1107/S0108270101011659

0.71073

MoKα

0.029

0.022

null

0.051

null

1.103

null

has coordinates,has Fobs

Figgis, Brian N.; Sobolev, Alexandre N.; Schultz, Arthur J.; Reynolds, Philip A. Tetrachlorobis(N^1^-phenylacetamidino-κN^2^)rhenium(IV) at 11K by X-ray diffraction and at 20K by neutron diffraction Acta Crystallographica Section C 57(10) (2001) 1151-1153

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/22/2012252.cif $ #-------------------------------------------------------------------...

2,012,253

21.604

0.004

7.268

0.001

12.436

0.002

90

null

90

null

90

null

1,952.7

0.5

11

2

20

null

5

P c c n

-P 2ab 2ac

56

bis(N-phenylacetamidino)ReCl~4~

Tetrachlorobis(N^1^-phenylacetamidino-N^2^)rhenium(IV)

- C16 H20 Cl4 N4 Re -

- C64 H80 Cl16 N16 Re4 -

4

0.5

GD1153

Figgis, Brian N.; Sobolev, Alexandre N.; Schultz, Arthur J.; Reynolds, Philip A.

Tetrachlorobis(N^1^-phenylacetamidino-κN^2^)rhenium(IV) at 11K by X-ray diffraction and at 20K by neutron diffraction

Acta Crystallographica Section C

2,001

57

10

1151

1153

10.1107/S0108270101011659

neutron

null

pulsedneutron

0.115

0.072

null

0.059

null

1.58

null

1.439

null

has coordinates,has Fobs

Figgis, Brian N.; Sobolev, Alexandre N.; Schultz, Arthur J.; Reynolds, Philip A. Tetrachlorobis(N^1^-phenylacetamidino-κN^2^)rhenium(IV) at 11K by X-ray diffraction and at 20K by neutron diffraction Acta Crystallographica Section C 57(10) (2001) 1151-1153

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/22/2012253.cif $ #-------------------------------------------------------------------...

2,012,254

10.477

0.001

13.523

0.002

10.058

0.001

90

null

110.07

0.01

90

null

1,338.5

0.3

293

2

293

2

null

4

P 1 21/c 1

-P 2ybc

14

3-Carboxy-5-(2-pyridinio)-6-(2-pyridyl)pyrazine-2-carboxylate

- C16 H10 N4 O4 -

- C64 H40 N16 O16 -

4

1

GD1159

Alfonso, Montserrat; Wang, Yi; Stoeckli-Evans, Helen

Hydrogen bonding in the inner-salt zwitterion and in two different charged forms of 5,6-bis(2-pyridyl)pyrazine-2,3-dicarboxylic acid

Acta Crystallographica Section C

2,001

57

10

1184

1188

10.1107/S0108270101010757

0.71073

MoKα

0.12

0.049

null

0.092

null

0.9

null

has coordinates,has Fobs

Alfonso, Montserrat; Wang, Yi; Stoeckli-Evans, Helen Hydrogen bonding in the inner-salt zwitterion and in two different charged forms of 5,6-bis(2-pyridyl)pyrazine-2,3-dicarboxylic acid Acta Crystallographica Section C 57(10) (2001) 1184-1188

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/22/2012254.cif $ #-------------------------------------------------------------------...

2,012,255

19.5883

0.0017

8.0623

0.0005

22.936

0.002

90

null

90.559

0.011

90

null

3,622

0.5

293

2

293

2

null

5

I 1 2/a 1

-I 2ya

15

6-Carboxy-5-carboxylatopyrazine-2,3-diyldi-2-pyridinium chloride 2.25 hydrate

- C16 H15.5 Cl N4 O6.25 -

- C128 H124 Cl8 N32 O50 -

8

1

GD1159

Alfonso, Montserrat; Wang, Yi; Stoeckli-Evans, Helen

Hydrogen bonding in the inner-salt zwitterion and in two different charged forms of 5,6-bis(2-pyridyl)pyrazine-2,3-dicarboxylic acid

Acta Crystallographica Section C

2,001

57

10

1184

1188

10.1107/S0108270101010757

0.71073

MoKα

0.081

0.039

null

0.093

null

0.823

null

has coordinates,has disorder,has Fobs

Alfonso, Montserrat; Wang, Yi; Stoeckli-Evans, Helen Hydrogen bonding in the inner-salt zwitterion and in two different charged forms of 5,6-bis(2-pyridyl)pyrazine-2,3-dicarboxylic acid Acta Crystallographica Section C 57(10) (2001) 1184-1188

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/22/2012255.cif $ #-------------------------------------------------------------------...

2,012,256

6.1401

0.0007

15.6358

0.0012

10.7154

0.0008

90

null

106.934

0.008

90

null

984.13

0.16

223

2

223

2

null

5

P 1 2/c 1

-P 2yc

13

6-carboxy-5-carboxylatopyrazine-2,3-diyldi-2-pyridinium perchlorate trihydrate

- C16 H17 Cl N4 O11 -

- C32 H34 Cl2 N8 O22 -

2

0.5

GD1159

Alfonso, Montserrat; Wang, Yi; Stoeckli-Evans, Helen

Hydrogen bonding in the inner-salt zwitterion and in two different charged forms of 5,6-bis(2-pyridyl)pyrazine-2,3-dicarboxylic acid

Acta Crystallographica Section C

2,001

57

10

1184

1188

10.1107/S0108270101010757

0.71073

MoKα

0.057

0.04

null

0.115

null

1.017

null

has coordinates,has Fobs

Alfonso, Montserrat; Wang, Yi; Stoeckli-Evans, Helen Hydrogen bonding in the inner-salt zwitterion and in two different charged forms of 5,6-bis(2-pyridyl)pyrazine-2,3-dicarboxylic acid Acta Crystallographica Section C 57(10) (2001) 1184-1188

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/22/2012256.cif $ #-------------------------------------------------------------------...

2,012,257

6.191

0.0006

15.6564

0.0011

10.8349

0.001

90

null

106.4

0.011

90

null

1,007.48

0.16

293

2

293

2

null

6

P 1 2/c 1

-P 2yc

13

6-carboxy-5-carboxylatopyrazine-2,3-diyldi-2-pyridinium hexafluorophosphate trihydrate

- C16 H17 F6 N4 O7 P -

- C32 H34 F12 N8 O14 P2 -

2

0.5

GD1159

Alfonso, Montserrat; Wang, Yi; Stoeckli-Evans, Helen

Hydrogen bonding in the inner-salt zwitterion and in two different charged forms of 5,6-bis(2-pyridyl)pyrazine-2,3-dicarboxylic acid

Acta Crystallographica Section C

2,001

57

10

1184

1188

10.1107/S0108270101010757

0.71073

MoKα

0.05

0.044

null

0.152

null

1.197

null

has coordinates,has Fobs

Alfonso, Montserrat; Wang, Yi; Stoeckli-Evans, Helen Hydrogen bonding in the inner-salt zwitterion and in two different charged forms of 5,6-bis(2-pyridyl)pyrazine-2,3-dicarboxylic acid Acta Crystallographica Section C 57(10) (2001) 1184-1188

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/22/2012257.cif $ #-------------------------------------------------------------------...

2,012,258

8.8856

0.0008

9.0728

0.0009

12.9288

0.0011

109.164

0.005

92.476

0.005

111.074

0.005

903.17

0.15

100

2

100

2

null

4

P -1

-P 1

2

4,4'-bipyridine–tetrahydroxybenzoquinone (3/2)

- C42 H32 N6 O12 -

1

0.5

GD1161

Cowan, John A.; Howard, Judith A. K.; Leech, Michael A.

Interpenetrating supramolecular lattices in 4,4'-bipyridine–2,3,5,6-tetrahydroxy-1,4-benzoquinone (3/2)

Acta Crystallographica Section C

2,001

57

10

1196

1198

10.1107/S0108270101011647

0.71073

MoKα

0.0715

0.0377

null

0.0666

null

1.072

null

has coordinates,has Fobs

Cowan, John A.; Howard, Judith A. K.; Leech, Michael A. Interpenetrating supramolecular lattices in 4,4'-bipyridine–2,3,5,6-tetrahydroxy-1,4-benzoquinone (3/2) Acta Crystallographica Section C 57(10) (2001) 1196-1198

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/22/2012258.cif $ #-------------------------------------------------------------------...

2,012,259

4.0545

0.0007

7.5723

0.0012

9.0629

0.0014

81.096

0.004

86.19

0.004

85.197

0.004

273.53

0.08

150

2

150

2

null

6

P -1

-P 1

2

Cu(PT)~2~

Bis(1-hydroxy-2(1H)-pyridinethiolato-S^2^,O)copper(II)

- C10 H8 Cu N2 O2 S2 -

1

0.5

GD1171

Bond, Andrew D.; Feeder, Neil; Teat, Simon J.; Jones, William

Bis[1-hydroxypyridine-2(1H)-thionato-S,O]copper(II)

Acta Crystallographica Section C

2,001

57

10

1157

1158

10.1107/S0108270101012306

0.6884

synchrotron

0.084

0.061

null

0.161

null

1.011

null

has coordinates,has Fobs

Bond, Andrew D.; Feeder, Neil; Teat, Simon J.; Jones, William Bis[1-hydroxypyridine-2(1H)-thionato-S,O]copper(II) Acta Crystallographica Section C 57(10) (2001) 1157-1158

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/22/2012259.cif $ #-------------------------------------------------------------------...