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

2,007,986

12.726

0.002

22.233

0.003

8.6069

0.0008

90

null

97.437

0.012

90

null

2,414.7

0.6

173

2

173

2

null

7

P 1 21/c 1

-P 2ybc

14

bis(6,6'-dibromo-2,2'-bipyridyl)copper(I) tetrafluoroborate

- C20 H12 Ag B Br4 F4 N4 -

- C80 H48 Ag4 B4 Br16 F16 N16 -

4

1

NA1374

Ward, Michael D.; Couchman, Samantha M.; Jeffery, John C.

[CuL~2~][ClO~4~] and [AgL~2~][BF~4~], where L = 6,6'-Dibromo-2,2'-bipyridine

Acta Crystallographica Section C

1,998

54

12

1820

1823

10.1107/S0108270198009159

0.71073

MoKα

0.048

0.031

null

0.066

0.062

null

0.93

1.022

null

has coordinates

Ward, Michael D.; Couchman, Samantha M.; Jeffery, John C. [CuL~2~][ClO~4~] and [AgL~2~][BF~4~], where L = 6,6'-Dibromo-2,2'-bipyridine Acta Crystallographica Section C 54(12) (1998) 1820-1823

301,791

2025-08-18

23:15:32

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2,007,987

7.446

0.002

12.179

0.003

12.279

0.003

90

null

102.6

0.05

90

null

1,086.7

0.5

292

2

292

2

null

5

P 1 21/n 1

-P 2yn

14

cis-Diiodo(N-methylpiperazine-N,N')Platinum(II)

- C5 H12 I2 N2 Pt -

- C20 H48 I8 N8 Pt4 -

4

1

NA1376

Ciccarese, Antonella; Clemente, Dore Augusto; Fanizzi, Francesco P.; Marzotto, Armando; Valle, Giovanni

Platinum(II) Complexes of Piperazine (and Derivatives): cis-Diiodo(N-methylpiperazine-N,N')platinum(II)

Acta Crystallographica Section C

1,998

54

12

1779

1781

10.1107/S0108270198009755

0.7107

MoKα

0.1155

0.0568

null

0.2052

0.1582

null

1.06

1.052

null

has coordinates,has Fobs

Ciccarese, Antonella; Clemente, Dore Augusto; Fanizzi, Francesco P.; Marzotto, Armando; Valle, Giovanni Platinum(II) Complexes of Piperazine (and Derivatives): cis-Diiodo(N-methylpiperazine-N,N')platinum(II) Acta Crystallographica Section C 54(12) (1998) 1779-1781

176,759

2020-10-21

18:00:00

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2,229,917

4.935

0.001

11.63

0.002

13.115

0.002

113.52

0.02

90.49

0.01

96.5

0.01

684.6

0.2

293

2

293

2

null

6

P -1

-P 1

2

4-Chloro-N-(3,5-dichlorophenyl)benzenesulfonamide

- C12 H8 Cl3 N O2 S -

- C24 H16 Cl6 N2 O4 S2 -

2

1

BQ2298

Shakuntala, K.; Foro, Sabine; Gowda, B. Thimme

4-Chloro-N-(3,5-dichlorophenyl)benzenesulfonamide

Acta Crystallographica Section E

2,011

67

5

o1219

10.1107/S160053681101470X

0.71073

MoKα

0.0472

0.0342

null

0.0791

0.0855

null

1.028

null

has coordinates,has Fobs

Shakuntala, K.; Foro, Sabine; Gowda, B. Thimme 4-Chloro-N-(3,5-dichlorophenyl)benzenesulfonamide Acta Crystallographica Section E 67(5) (2011) o1219

301,805

2025-08-19

13:58:39

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2,007,988

7.204

0.0013

7.6076

0.0011

35.187

0.009

90

null

90

null

90

null

1,928.4

0.7

293

null

293

null

4

P 21 21 21

P 2ac 2ab

19

2,5-Cyclohexadiene-1,4-dione,3-(methylamino)-5-[(1,2,3,4,4a,7,8, 8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl)methyl] 4'-METHYLAMINO AVARONE

- C22 H31 N O2 -

- C88 H124 N4 O8 -

4

1

NA1378

Puliti, Raffaella; De Rosa, Salvatore; Mattia, Carlo Andrea

4'-Methylaminoavarone from Dysidea avara

Acta Crystallographica Section C

1,998

54

12

1954

1957

10.1107/S010827019800924X

1.54056

CuKα

0.0509

0.0447

null

0.0443

null

0.927

null

has coordinates

Puliti, Raffaella; De Rosa, Salvatore; Mattia, Carlo Andrea 4'-Methylaminoavarone from Dysidea avara Acta Crystallographica Section C 54(12) (1998) 1954-1957

301,791

2025-08-18

23:15:32

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2,007,989

9.069

0.005

9.595

0.003

21.624

0.007

90

null

90

null

90

null

1,881.7

1.3

298

null

3

P 21 21 21

P 2ac 2ab

19

3-(1'-hydroxy-4'-isopropyl-2',2'-dimethyl-1',2' -dihydrobenzocyclobuten-1'-yl)-3-mrthyl-2 -butanone ethylene acetal

- C20 H30 O3 -

- C80 H120 O12 -

4

1

OA1055

Iida, Katsumi; Kawata, Etsuya; Komada, Kaori; Saito, Masaichi; Kumakura, Shigekazu; Yoshioka, Michikazu

Highly Strained C—C Bonds: 3-(1'-Hydroxy-4'-isopropyl-2',2'-dimethyl-1',2'-dihydrobenzocyclobuten-1'-yl)-3-methyl-2-butanone Ethylene Acetal, (I), and (3S^*^,1'S^*^)-3-Acetoxy-2-(1'-hydroxy-1',2'-dihydrobenzocyclobuten-1'-yl)-2-methylpentane, (II)

Acta Crystallographica Section C

1,998

54

12

1938

1941

10.1107/S0108270198009895

0.71073

MoKα

null

0.068

null

0.071

null

1.32

null

has coordinates

Iida, Katsumi; Kawata, Etsuya; Komada, Kaori; Saito, Masaichi; Kumakura, Shigekazu; Yoshioka, Michikazu Highly Strained C—C Bonds: 3-(1'-Hydroxy-4'-isopropyl-2',2'-dimethyl-1',2'-dihydrobenzocyclobuten-1'-yl)-3-methyl-2-butanone Ethylene Acetal, (I), and (3S^*^,1'S^*^)-3-Acetoxy-2-(1'-hydroxy-1',2'-dihydr...

301,791

2025-08-18

23:15:32

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2,229,916

9.358

0.0019

17.815

0.004

6.387

0.0013

90

null

90

null

90

null

1,064.8

0.4

293

2

293

2

null

4

P n a 21

P 2c -2n

33

3,3'-dinitro-4,4'-bipyridine

- C10 H6 N4 O4 -

- C40 H24 N16 O16 -

4

1

BQ2296

Wang, Yong; Xu, Jing-Yi; Li, De-Yong; Shi, Lu

3,3'-Dinitro-4,4'-bipyridine

Acta Crystallographica Section E

2,011

67

5

o1191

10.1107/S1600536811014139

0.71073

MoKα

0.0878

0.055

null

0.1245

0.1412

null

1.004

null

has coordinates,has Fobs

Wang, Yong; Xu, Jing-Yi; Li, De-Yong; Shi, Lu 3,3'-Dinitro-4,4'-bipyridine Acta Crystallographica Section E 67(5) (2011) o1191

301,805

2025-08-19

13:58:39

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2,007,990

7.5

0.002

8.505

0.002

11.852

0.005

85.22

0.07

88.89

0.07

77.23

0.03

734.7

0.4

298

null

3

P -1

-P 1

2

(3S^*^,1'3S^*^)-3-acetoxy-2-(1'-hydroxy-1',2' -dihydrobenzocyclobuten-1'-yl)-2-methylpentane

- C16 H22 O3 -

- C32 H44 O6 -

2

1

OA1055

Iida, Katsumi; Kawata, Etsuya; Komada, Kaori; Saito, Masaichi; Kumakura, Shigekazu; Yoshioka, Michikazu

Highly Strained C—C Bonds: 3-(1'-Hydroxy-4'-isopropyl-2',2'-dimethyl-1',2'-dihydrobenzocyclobuten-1'-yl)-3-methyl-2-butanone Ethylene Acetal, (I), and (3S^*^,1'S^*^)-3-Acetoxy-2-(1'-hydroxy-1',2'-dihydrobenzocyclobuten-1'-yl)-2-methylpentane, (II)

Acta Crystallographica Section C

1,998

54

12

1938

1941

10.1107/S0108270198009895

0.71073

MoKα

null

0.06

null

0.07

null

1.612

null

has coordinates

Iida, Katsumi; Kawata, Etsuya; Komada, Kaori; Saito, Masaichi; Kumakura, Shigekazu; Yoshioka, Michikazu Highly Strained C—C Bonds: 3-(1'-Hydroxy-4'-isopropyl-2',2'-dimethyl-1',2'-dihydrobenzocyclobuten-1'-yl)-3-methyl-2-butanone Ethylene Acetal, (I), and (3S^*^,1'S^*^)-3-Acetoxy-2-(1'-hydroxy-1',2'-dihydr...

301,791

2025-08-18

23:15:32

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2,007,991

9.2032

0.0008

14.792

0.004

7.483

0.002

101.15

0.02

96.175

0.014

88.701

0.013

993.7

0.4

293

2

293

2

null

4

P 1

1

C-Trp

Cytosynyl-tryptophan

- C36 H50 N10 O14 -

- C36 H46 N10 O14 -

1

OS1006

Mitsunobu Doi; Mariko Tarui; Mihoko Ogata; Akiko Asano; Toshimasa Ishida

A Cytosine and Tryptophan Hybrid Dipeptide: Cytosinyl-L-tryptophan‒Water (2/6)

Acta Crystallographica Section C

1,998

54

12

1941

1943

10.1107/S0108270198008051

1.5418

CuKα

0.07

0.0537

null

0.1677

null

0.966

null

has coordinates

Mitsunobu Doi; Mariko Tarui; Mihoko Ogata; Akiko Asano; Toshimasa Ishida A Cytosine and Tryptophan Hybrid Dipeptide: Cytosinyl-L-tryptophan‒Water (2/6) Acta Crystallographica Section C 54(12) (1998) 1941-1943

176,759

2020-10-21

18:00:00

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2,007,992

7.15

0.002

10.284

0.002

27.726

0.002

90

null

90

null

90

null

2,038.8

0.7

293

2

293

2

null

4

P 21 21 21

P 2ac 2ab

19

- C19 H32 O5 S -

- C76 H128 O20 S4 -

4

1

S. Yonezawa; M. Leblanc; A. Guesdon; C. Alexandre

1-(5-Methanesulfinyl-2,2,6-trimethyl-3a,3b,4,5,6,8a-hexahydro-1, 3,8-trioxacyclopenta[a]inden-5-yl)hexan-1-ol

Acta Crystallographica Section C

1,998

54

1986

1987

null

0.0392

null

0.108

null

has coordinates

S. Yonezawa; M. Leblanc; A. Guesdon; C. Alexandre 1-(5-Methanesulfinyl-2,2,6-trimethyl-3a,3b,4,5,6,8a-hexahydro-1, 3,8-trioxacyclopenta[a]inden-5-yl)hexan-1-ol Acta Crystallographica Section C 54 (1998) 1986-1987

301,791

2025-08-18

23:15:32

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2,229,915

19.435

0.0009

5.8467

0.0002

13.3343

0.0006

90

null

109.981

0.002

90

null

1,423.98

0.11

150

2

150

2

null

5

C 1 2/c 1

-C 2yc

15

Bis(5-amino-3-carboxy-1H-1,2,4-triazol-4-ium) sulfate dihydrate

- C6 H14 N8 O10 S -

- C24 H56 N32 O40 S4 -

4

0.5

BQ2295

Ouakkaf, Amira; Berrah, Fadila; Bouacida, Sofiane; Roisnel, Thierry

Bis(5-amino-3-carboxy-1H-1,2,4-triazol-4-ium) sulfate dihydrate

Acta Crystallographica Section E

2,011

67

5

o1171

o1172

10.1107/S1600536811013882

0.71073

MoKα

0.0319

0.0285

null

0.0748

0.077

null

1.084

null

has coordinates,has Fobs

Ouakkaf, Amira; Berrah, Fadila; Bouacida, Sofiane; Roisnel, Thierry Bis(5-amino-3-carboxy-1H-1,2,4-triazol-4-ium) sulfate dihydrate Acta Crystallographica Section E 67(5) (2011) o1171-o1172

301,805

2025-08-19

13:58:39

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2,007,993

16.46

0.003

15.717

0.003

22.023

0.004

90

null

92.931

0.005

90

null

5,689.9

1.8

293

2

295

2

null

6

P 1 21/n 1

-P 2yn

14

- C52 H43 Cl3 Mn2 N10 O18.5 -

- C208 H172 Cl12 Mn8 N40 O74 -

4

1

OS1015

Wilson, Claire; Larsen, Finn K.; Figgis, Brian N.

Di-μ-oxo-bis[bis(bipyridine-N,N')manganese(III, IV)] Triperchlorate Bis(nitrobenzene) Hemihydrate

Acta Crystallographica Section C

1,998

54

12

1797

1799

10.1107/S0108270198008701

0.71073

MoKα

0.132

0.074

null

0.152

null

1.273

1.566

null

has coordinates,has disorder

Wilson, Claire; Larsen, Finn K.; Figgis, Brian N. Di-μ-oxo-bis[bis(bipyridine-N,N')manganese(III, IV)] Triperchlorate Bis(nitrobenzene) Hemihydrate Acta Crystallographica Section C 54(12) (1998) 1797-1799

176,759

2020-10-21

18:00:00

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2,007,994

6.941

0.001

6.569

0.001

11.315

0.002

90

null

90.55

0.02

90

null

515.89

0.14

173

2

173

2

null

4

P 1 21/n 1

-P 2yn

14

FOX-7

1,1‒diamino‒2,2‒dinitroethylene

- C2 H4 N4 O4 -

- C8 H16 N16 O16 -

4

1

OS1020

Bemm, Ulf; Östmark, Henric

1,1-Diamino-2,2-dinitroethylene: a Novel Energetic Material with Infinite Layers in Two Dimensions

Acta Crystallographica Section C

1,998

54

12

1997

1999

10.1107/S0108270198007987

0.71073

MoKα

0.0347

0.0312

null

0.0808

null

1.655

null

has coordinates,has Fobs

Bemm, Ulf; Östmark, Henric 1,1-Diamino-2,2-dinitroethylene: a Novel Energetic Material with Infinite Layers in Two Dimensions Acta Crystallographica Section C 54(12) (1998) 1997-1999

201,955

2020-10-21

18:00:00

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2,007,995

8.935

0.002

15.733

0.007

18.372

0.004

90

null

90

null

90

null

2,582.6

1.4

223

1

223

1

null

5

P b c a

-P 2ac 2ab

61

- C6 H14 N2 O10 Pb -

- C48 H112 N16 O80 Pb8 -

8

1

OS1021

Lashgari, Koroush; Kritikos, Mikael; Lashgari, Kianosh; Westin, Gunnar

Pb(NO~3~)~2~(EO3), where EO3 is Triethylene Glycol

Acta Crystallographica Section C

1,998

54

12

1794

1797

10.1107/S0108270198008312

0.71073

MoKα

0.075

0.046

null

0.111

0.099

null

1.076

1.132

null

has coordinates,has Fobs

Lashgari, Koroush; Kritikos, Mikael; Lashgari, Kianosh; Westin, Gunnar Pb(NO~3~)~2~(EO3), where EO3 is Triethylene Glycol Acta Crystallographica Section C 54(12) (1998) 1794-1797

301,791

2025-08-18

23:15:32

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2,007,996

19.856

0.003

21.45

0.004

7.228

0.005

90

null

90

null

90

null

3,078

2

294

2

294

2

null

3

P c c n

-P 2ab 2ac

56

3RS,4RS-2-Methyl-3,4-diphenylhex-5-en-3-ol

- C19 H22 O -

- C152 H176 O8 -

8

1

OS1022

Rainer Sjöholm; Reijo Sillanpää

(3RS,4RS)-2-Methyl-3,4-diphenyl-5-hexen-3-ol

Acta Crystallographica Section C

1,998

54

12

1999

2001

10.1107/S0108270198008609

0.71069

MoKα

0.1127

0.053

null

0.1481

null

1.022

null

has coordinates,has Fobs

Rainer Sjöholm; Reijo Sillanpää (3RS,4RS)-2-Methyl-3,4-diphenyl-5-hexen-3-ol Acta Crystallographica Section C 54(12) (1998) 1999-2001

301,791

2025-08-18

23:15:32

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2,007,997

23.553

0.0005

5.3933

0.0001

22.9996

0.0003

90

null

90

null

90

null

2,921.6

0.09

293

2

293

2

null

3

P b c n

-P 2n 2ab

60

(E)-2-Hydroxy-3,3',4'-trimethoxystilbene

- C17 H18 O4 -

- C136 H144 O32 -

8

1

OS1025

Stomberg, Rolf; Li, Shiming; Lundquist, Knut; Albinsson, Bo

Investigation of Three Stilbene Derivatives by X-ray Crystallography and NMR Spectroscopy

Acta Crystallographica Section C

1,998

54

12

1929

1934

10.1107/S0108270198008877

0.71073

MoKα

0.0533

0.0435

null

0.1206

0.1096

null

1.075

1.077

null

has coordinates

Stomberg, Rolf; Li, Shiming; Lundquist, Knut; Albinsson, Bo Investigation of Three Stilbene Derivatives by X-ray Crystallography and NMR Spectroscopy Acta Crystallographica Section C 54(12) (1998) 1929-1934

301,791

2025-08-18

23:15:32

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2,007,998

12.4168

0.0007

12.9562

0.0007

12.2833

0.0007

97.641

0.007

113.547

0.007

77.483

0.007

1,766.1

0.2

293

2

293

2

null

3

P -1

-P 1

2

(E)-2-Acetoxy-3,3',4'-trimethoxystilbene

- C19 H20 O5 -

- C76 H80 O20 -

4

2

OS1025

Stomberg, Rolf; Li, Shiming; Lundquist, Knut; Albinsson, Bo

Investigation of Three Stilbene Derivatives by X-ray Crystallography and NMR Spectroscopy

Acta Crystallographica Section C

1,998

54

12

1929

1934

10.1107/S0108270198008877

1.54178

CuKα

0.0806

0.0472

null

0.1534

0.1299

null

1.033

1.112

null

has coordinates

Stomberg, Rolf; Li, Shiming; Lundquist, Knut; Albinsson, Bo Investigation of Three Stilbene Derivatives by X-ray Crystallography and NMR Spectroscopy Acta Crystallographica Section C 54(12) (1998) 1929-1934

301,791

2025-08-18

23:15:32

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/79/2007998.cif $ #-------------------------------------------------------------------...

2,229,914

7.318

0.0003

10.1567

0.0005

12.4721

0.0006

96.686

0.001

95.285

0.001

95.229

0.001

911.92

0.07

100

0.1

100

0.1

null

6

P -1

-P 1

2

4-{2-[2-(4-Chlorobenzylidene)hydrazinylidene]-3,6-dihydro-2H- 1,3,4-thiadiazin-5-yl}-3-phenylsydnone

4-{2-[2-(4-Chlorobenzylidene)hydrazinylidene]-3,6-dihydro-2H- 1,3,4-thiadiazin-5-yl}-3-phenyl-1,2,3-oxadiazol-3-ium-5-olate

- C18 H13 Cl N6 O2 S -

- C36 H26 Cl2 N12 O4 S2 -

2

1

BQ2294

Fun, Hoong-Kun; Loh, Wan-Sin; Nithinchandra; Kalluraya, Balakrishna

4-{2-[2-(4-Chlorobenzylidene)hydrazinylidene]-3,6-dihydro-2H-1,3,4-thiadiazin-5-yl}-3-phenylsydnone

Acta Crystallographica Section E

2,011

67

5

o1177

o1178

10.1107/S1600536811013912

0.71073

MoKα

0.047

0.039

null

0.1038

0.1126

null

1.045

null

has coordinates,has Fobs

Fun, Hoong-Kun; Loh, Wan-Sin; Nithinchandra; Kalluraya, Balakrishna 4-{2-[2-(4-Chlorobenzylidene)hydrazinylidene]-3,6-dihydro-2H-1,3,4-thiadiazin-5-yl}-3-phenylsydnone Acta Crystallographica Section E 67(5) (2011) o1177-o1178

176,789

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 22:30:07 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176789 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/22/99/2229914.cif $ #-------------------------------------------------------------------...

2,007,999

12.8655

0.0002

12.0107

0.0002

12.4608

0.0001

90

null

117.031

0.001

90

null

1,715.15

0.04

293

2

293

2

null

3

P 1 21/c 1

-P 2ybc

14

(E)-2-Acetoxy-3,3',4'-trimethoxystilbene

- C19 H20 O5 -

- C76 H80 O20 -

4

1

OS1025

Stomberg, Rolf; Li, Shiming; Lundquist, Knut; Albinsson, Bo

Investigation of Three Stilbene Derivatives by X-ray Crystallography and NMR Spectroscopy

Acta Crystallographica Section C

1,998

54

12

1929

1934

10.1107/S0108270198008877

0.71073

MoKα

0.0736

0.0443

null

0.1175

0.0956

null

1.124

1.111

null

has coordinates

Stomberg, Rolf; Li, Shiming; Lundquist, Knut; Albinsson, Bo Investigation of Three Stilbene Derivatives by X-ray Crystallography and NMR Spectroscopy Acta Crystallographica Section C 54(12) (1998) 1929-1934

301,791

2025-08-18

23:15:32

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/79/2007999.cif $ #-------------------------------------------------------------------...

2,008,000

21.2854

0.0001

7.8608

0.0001

9.3555

0.0002

90

null

100.229

0.001

90

null

1,540.48

0.04

293

2

293

2

null

3

C 1 c 1

C -2yc

9

(Z)-2-Hydroxy-3,3',4'-trimethoxystilbene

- C17 H18 O4 -

- C68 H72 O16 -

4

1

OS1025

Stomberg, Rolf; Li, Shiming; Lundquist, Knut; Albinsson, Bo

Investigation of Three Stilbene Derivatives by X-ray Crystallography and NMR Spectroscopy

Acta Crystallographica Section C

1,998

54

12

1929

1934

10.1107/S0108270198008877

0.71073

MoKα

0.0276

0.0262

null

0.0737

0.0708

null

1.048

1.025

null

has coordinates

Stomberg, Rolf; Li, Shiming; Lundquist, Knut; Albinsson, Bo Investigation of Three Stilbene Derivatives by X-ray Crystallography and NMR Spectroscopy Acta Crystallographica Section C 54(12) (1998) 1929-1934

301,791

2025-08-18

23:15:32

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/80/2008000.cif $ #-------------------------------------------------------------------...

2,008,001

11.695

0.002

11.91

0.003

15.535

0.002

72.61

0.01

79.83

0.01

77.16

0.02

1,999.1

0.7

293

2

293

2

null

6

P -1

-P 1

2

- C43 H20 F15 Ir O P2 -

- C86 H40 F30 Ir2 O2 P4 -

2

1

OS1027

John Fawcett; Eric G. Hope; Lee A. Peck

trans-Carbonyl(pentafluorophenyl-C)bis[(pentafluorophenyl)diphenylphosphine-P]iridium(I)

Acta Crystallographica Section C

1,998

54

12

1752

1753

10.1107/S0108270198008063

0.71073

MoKα

0.043

0.033

null

0.084

0.078

null

0.976

0.987

null

has coordinates

John Fawcett; Eric G. Hope; Lee A. Peck trans-Carbonyl(pentafluorophenyl-C)bis[(pentafluorophenyl)diphenylphosphine-P]iridium(I) Acta Crystallographica Section C 54(12) (1998) 1752-1753

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/80/2008001.cif $ #-------------------------------------------------------------------...

2,008,002

7.382

0.001

7.791

0.001

11.437

0.001

94.11

0.01

101.7

0.01

93.39

0.01

640.62

0.13

293

2

293

2

null

4

P -1

-P 1

2

3-Hydroxy-2-ethyl-1-4benzyl-pyridin-4-one

- C14 H17 N O3 -

- C28 H34 N2 O6 -

2

1

OS1028

Burgess, John; Fawcett, John; Russell, David R.; Waltham, Emma

Four N-Benzyl-Substituted 2-Ethyl-3-hydroxypyridin-4-ones

Acta Crystallographica Section C

1,998

54

12

2011

2015

10.1107/S0108270198008488

0.71073

MoKα

0.11

0.076

null

0.228

0.196

null

1.055

1.107

null

has coordinates

Burgess, John; Fawcett, John; Russell, David R.; Waltham, Emma Four N-Benzyl-Substituted 2-Ethyl-3-hydroxypyridin-4-ones Acta Crystallographica Section C 54(12) (1998) 2011-2015

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/80/2008002.cif $ #-------------------------------------------------------------------...

2,229,913

7.7589

0.0008

14.143

0.002

14.358

0.002

90.99

0.01

99.56

0.01

90.68

0.01

1,553.3

0.4

293

2

293

2

null

6

P -1

-P 1

2

2,4-Dichloroanilinium 4-chlorobenzenesulfonate monohydrate

- C12 H12 Cl3 N O4 S -

- C48 H48 Cl12 N4 O16 S4 -

4

2

BQ2293

Shakuntala, K.; Foro, Sabine; Gowda, B. Thimme

2,4-Dichloroanilinium 4-chlorobenzenesulfonate monohydrate

Acta Crystallographica Section E

2,011

67

5

o1077

10.1107/S1600536811012463

0.71073

MoKα

0.1673

0.0513

null

0.0637

0.0812

null

0.841

null

has coordinates,has Fobs

Shakuntala, K.; Foro, Sabine; Gowda, B. Thimme 2,4-Dichloroanilinium 4-chlorobenzenesulfonate monohydrate Acta Crystallographica Section E 67(5) (2011) o1077

301,805

2025-08-19

13:58:39

#------------------------------------------------------------------------------ #$Date: 2025-08-19 16:18:28 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301805 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/22/99/2229913.cif $ #-------------------------------------------------------------------...

2,008,003

7.2766

0.0007

7.3473

0.0006

13.294

0.001

91.395

0.006

90.823

0.008

117.258

0.009

631.37

0.11

190

2

190

2

null

4

P -1

-P 1

2

3-Hydroxy-2-ethyl-1-4methylbenzyl-pyridin-4-one

- C15 H17 N O2 -

- C30 H34 N2 O4 -

2

1

OS1028

Burgess, John; Fawcett, John; Russell, David R.; Waltham, Emma

Four N-Benzyl-Substituted 2-Ethyl-3-hydroxypyridin-4-ones

Acta Crystallographica Section C

1,998

54

12

2011

2015

10.1107/S0108270198008488

0.71073

MoKα

0.044

0.039

null

0.114

0.109

null

1.031

1.054

null

has coordinates

Burgess, John; Fawcett, John; Russell, David R.; Waltham, Emma Four N-Benzyl-Substituted 2-Ethyl-3-hydroxypyridin-4-ones Acta Crystallographica Section C 54(12) (1998) 2011-2015

301,791

2025-08-18

23:15:32

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/80/2008003.cif $ #-------------------------------------------------------------------...

2,008,004

7.266

0.001

12.408

0.002

14.681

0.002

113.05

0.01

100.2

0.01

90.74

0.01

1,193.7

0.3

190

2

190

2

null

5

P -1

-P 1

2

3-Hydroxy-2-ethyl-1-4fluorobenzyl-pyridin-4-one

- C14 H14 F N O2 -

- C56 H56 F4 N4 O8 -

4

2

OS1028

Burgess, John; Fawcett, John; Russell, David R.; Waltham, Emma

Four N-Benzyl-Substituted 2-Ethyl-3-hydroxypyridin-4-ones

Acta Crystallographica Section C

1,998

54

12

2011

2015

10.1107/S0108270198008488

0.71073

MoKα

0.053

0.038

null

0.099

0.09

null

1.043

1.076

null

has coordinates

Burgess, John; Fawcett, John; Russell, David R.; Waltham, Emma Four N-Benzyl-Substituted 2-Ethyl-3-hydroxypyridin-4-ones Acta Crystallographica Section C 54(12) (1998) 2011-2015

301,791

2025-08-18

23:15:32

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/80/2008004.cif $ #-------------------------------------------------------------------...

2,008,005

14.645

0.001

11.634

0.001

17.832

0.003

90

null

110.1

0.02

90

null

2,853.2

0.7

190

2

190

2

null

5

P 1 21/a 1

-P 2yab

14

3-Hydroxy-2-ethyl-1-4trifluoromethylbenzyl-pyridin-4-one

- C15 H15 F3 N O2.5 -

- C120 H120 F24 N8 O20 -

8

2

OS1028

Burgess, John; Fawcett, John; Russell, David R.; Waltham, Emma

Four N-Benzyl-Substituted 2-Ethyl-3-hydroxypyridin-4-ones

Acta Crystallographica Section C

1,998

54

12

2011

2015

10.1107/S0108270198008488

0.71073

MoKα

0.128

0.067

null

0.165

0.133

null

1.023

1.096

null

has coordinates

Burgess, John; Fawcett, John; Russell, David R.; Waltham, Emma Four N-Benzyl-Substituted 2-Ethyl-3-hydroxypyridin-4-ones Acta Crystallographica Section C 54(12) (1998) 2011-2015

301,791

2025-08-18

23:15:32

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/80/2008005.cif $ #-------------------------------------------------------------------...

2,008,006

13.903

0.001

13.903

0.001

25.963

0.003

90

null

90

null

90

null

5,018.5

0.8

295

null

295

null

5

I 41/a :2

-I 4ad

88

- C12 H30 Hg I4 S2 -

- C12 Hg I4 S2 -

- C96 Hg8 I32 S16 -

8

0.5

OS1033

Bengtsson-Kloo, L.; Berglund, J.; Stegemann, H.; Svensson, C.; Svensson, Per H.

Bis(triethylsulfonium) Tetraiodomercurate(II)

Acta Crystallographica Section C

1,998

54

12

1851

1853

10.1107/S0108270198008889

0.7107

MoKα

null

0.037

null

0.048

null

1.633

null

has coordinates

Bengtsson-Kloo, L.; Berglund, J.; Stegemann, H.; Svensson, C.; Svensson, Per H. Bis(triethylsulfonium) Tetraiodomercurate(II) Acta Crystallographica Section C 54(12) (1998) 1851-1853

191,977

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-02-10 18:21:58 +0200 (Fri, 10 Feb 2017) $ #$Revision: 191977 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/80/2008006.cif $ #-------------------------------------------------------------------...

2,008,007

7.001

0.001

10.356

0.002

8.367

0.002

90

null

107.39

0.03

90

null

578.9

0.2

293

2

293

2

null

4

P 1 21/c 1

-P 2ybc

14

- C6 Co K3 N6 -

- C12 Co2 K6 N12 -

2

0.5

QA0043

Zhou, Ping; Xue, Feng; Au-Yeung, Steve C. F.

Potassium Hexacyanocobaltate, a Redetermination

Acta Crystallographica Section C

1,998

54

12

IUC9800062

10.1107/S0108270198099193

0.71073

MoKα

0.053

0.041

null

0.1

null

1.081

null

has coordinates

Zhou, Ping; Xue, Feng; Au-Yeung, Steve C. F. Potassium Hexacyanocobaltate, a Redetermination Acta Crystallographica Section C 54(12) (1998) IUC9800062

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/80/2008007.cif $ #-------------------------------------------------------------------...

2,008,008

5.5806

0.0007

22.641

0.003

7.0249

0.0003

90

0.01

99.79

0.01

90

0.01

874.67

0.17

293

2

293

2

null

4

P 1 21/n 1

-P 2yn

14

- C5 H11 N O7 -

- C20 H44 N4 O28 -

4

1

QA0059

Krishnakumar, R. V.; Subha Nandhini, M.; Natarajan, S.

Sarcosinium Oxalate Monohydrate

Acta Crystallographica Section C

1,998

54

12

IUC9800063

10.1107/S0108270198099144

0.71073

MoKα

0.058

0.046

null

0.187

null

0.129

null

1.145

null

1.1

null

has coordinates

Krishnakumar, R. V.; Subha Nandhini, M.; Natarajan, S. Sarcosinium Oxalate Monohydrate Acta Crystallographica Section C 54(12) (1998) IUC9800063

301,791

2025-08-18

23:15:32

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/80/2008008.cif $ #-------------------------------------------------------------------...

2,008,009

13.541

0.004

13.177

0.004

17.06

0.004

90

null

98.49

0.02

90

null

3,010.7

1.5

210

2

210

2

null

8

P 1 21/c 1

-P 2ybc

14

([9]aneS3)(5-NO2-phen)Pd](PF6)2.MeNO2

[(5-Nitro-1,10-phenanthroline)(1,4,7-trithiacyclononane-S,S',S")palladium(II)] Bis(hexafluorophosphate) Nitromethane Solvate

- C19 H22 F12 N4 O4 P2 Pd S3 -

- C19 H19 F12 N4 O4 P2 Pd S3 -

- C76 H76 F48 N16 O16 P8 Pd4 S12 -

4

1

QA0064

Blake, Alexander J.; Champness, Neil R.; Li, Wan-Sheung; Schröder, Martin

[(5-Nitro-1,10-phenanthroline-N,N')(1,4,7-trithiacyclononane-S,S',S'')palladium(II)] Bis(hexafluorophosphate) Nitromethane Solvate

Acta Crystallographica Section C

1,998

54

12

IUC9800071

10.1107/S0108270198099156

0.71073

MoKα

0.121

0.077

null

0.19

null

1.212

null

has coordinates,has disorder

Blake, Alexander J.; Champness, Neil R.; Li, Wan-Sheung; Schröder, Martin [(5-Nitro-1,10-phenanthroline-N,N')(1,4,7-trithiacyclononane-S,S',S'')palladium(II)] Bis(hexafluorophosphate) Nitromethane Solvate Acta Crystallographica Section C 54(12) (1998) IUC9800071

176,428

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176428 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/80/2008009.cif $ #-------------------------------------------------------------------...

2,229,912

7.1378

0.0004

12.7853

0.0007

16.8033

0.0011

90

null

92.025

0.006

90

null

1,532.49

0.16

296

2

296

2

null

6

P 1 21/n 1

-P 2yn

14

Diaqua(2,2'-bipyridine-κ^2^N,N')bis(perchlorato- κO)copper(II)

- C10 H12 Cl2 Cu N2 O10 -

- C40 H48 Cl8 Cu4 N8 O40 -

4

1

BQ2292

Damous, Maamar; Hamlaoui, Meriem; Bouacida, Sofiane; Merazig, Hocine; Daran, Jean-Claude

Diaqua(2,2'-bipyridine-κ^2^N,N')bis(perchlorato-κO)copper(II)

Acta Crystallographica Section E

2,011

67

5

m611

m612

10.1107/S1600536811013808

0.7107

MoKα

0.041

0.03

null

0.0765

0.08

null

1.052

null

has coordinates,has Fobs

Damous, Maamar; Hamlaoui, Meriem; Bouacida, Sofiane; Merazig, Hocine; Daran, Jean-Claude Diaqua(2,2'-bipyridine-κ^2^N,N')bis(perchlorato-κO)copper(II) Acta Crystallographica Section E 67(5) (2011) m611-m612

301,805

2025-08-19

13:58:39

#------------------------------------------------------------------------------ #$Date: 2025-08-19 16:18:28 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301805 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/22/99/2229912.cif $ #-------------------------------------------------------------------...

2,008,010

10.081

0.001

8.927

0.001

16.508

0.001

90

null

102.29

0.01

90

null

1,451.6

0.2

295

2

295

2

null

5

P 1 21/c 1

-P 2ybc

14

N-[α-(N-succimidyl)benzyl]selenamorpholine

- C15 H18 N2 O2 Se -

- C60 H72 N8 O8 Se4 -

4

1

QA0065

Wu, Jun; Liu, Xiu-Fang; Xu, Han-Sheng; Huang, Jing-Wei; Hu, Sheng-Zhi; Ng, Seik Weng

N-[α-(N-Succimidyl)benzyl]selenamorpholine

Acta Crystallographica Section C

1,998

54

12

IUC9800066

10.1107/S0108270198099132

1.54184

CuKα

0.063

0.057

null

0.171

null

1.046

null

has coordinates

Wu, Jun; Liu, Xiu-Fang; Xu, Han-Sheng; Huang, Jing-Wei; Hu, Sheng-Zhi; Ng, Seik Weng N-[α-(N-Succimidyl)benzyl]selenamorpholine Acta Crystallographica Section C 54(12) (1998) IUC9800066

301,791

2025-08-18

23:15:32

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/80/2008010.cif $ #-------------------------------------------------------------------...

2,008,011

6.399

0.001

13.415

0.002

7.288

0.001

90

null

110.1

0.01

90

null

587.52

0.15

298

2

298

2

null

4

P 1 21/c 1

-P 2ybc

14

N,N'-dinitroso-N,N'-dimethoxy-2,3-dimethyl-2,3-butanediamine

- C8 H18 N4 O4 -

- C16 H36 N8 O8 -

2

0.5

QA0066

Irina Yu. Bagryanskaya; Tatyana V. Rybalova; Yuri V. Gatilov; Vadim K. Khlestkin; Dmitrii G. Mazhukin

The First X-ray Study of Alkoxynitrosoamines

Acta Crystallographica Section C

1,998

54

12

IUC9800073

10.1107/S0108270198099120

1.54178

CuKα

0.0431

0.0403

null

0.1269

0.111

null

1.111

1.13

null

has coordinates

Irina Yu. Bagryanskaya; Tatyana V. Rybalova; Yuri V. Gatilov; Vadim K. Khlestkin; Dmitrii G. Mazhukin The First X-ray Study of Alkoxynitrosoamines Acta Crystallographica Section C 54(12) (1998) IUC9800073

301,791

2025-08-18

23:15:32

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/80/2008011.cif $ #-------------------------------------------------------------------...

2,008,012

6.424

0.001

13.611

0.002

7.231

0.001

90

null

109.74

0.01

90

null

595.1

0.16

298

2

298

2

null

4

P 1 21/c 1

-P 2ybc

14

N-formyl-N'-nitroso-N,N'-dimethoxy-2,3-dimethyl-2,3-butanediamine

- C9 H19 N3 O4 -

- C18 H38 N6 O8 -

2

0.5

QA0066

Irina Yu. Bagryanskaya; Tatyana V. Rybalova; Yuri V. Gatilov; Vadim K. Khlestkin; Dmitrii G. Mazhukin

The First X-ray Study of Alkoxynitrosoamines

Acta Crystallographica Section C

1,998

54

12

IUC9800073

10.1107/S0108270198099120

1.54178

CuKα

0.0383

0.036

null

0.102

0.1003

null

1.085

1.122

null

has coordinates

Irina Yu. Bagryanskaya; Tatyana V. Rybalova; Yuri V. Gatilov; Vadim K. Khlestkin; Dmitrii G. Mazhukin The First X-ray Study of Alkoxynitrosoamines Acta Crystallographica Section C 54(12) (1998) IUC9800073

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/80/2008012.cif $ #-------------------------------------------------------------------...

2,008,013

8.13

0.003

9.425

0.001

9.748

0.007

86.13

0.02

73.38

0.03

66.463

0.019

655.3

0.6

293

2

293

2

null

5

P -1

-P 1

2

N,N-diethylphenylsulfonylacetamide

- C12 H17 N O3 S -

- C24 H34 N2 O6 S2 -

2

1

QA0069

Céard, Sophie; Gaumet, Vincent; Roche, Danielle; Métin, Jacques; Madesclaire, Michel

N,N-Diethylphenylsulfonylacetamide

Acta Crystallographica Section C

1,998

54

12

IUC9800067

10.1107/S0108270198099119

0.71073

MoKα

0.0609

0.0421

null

0.1298

null

1.072

null

has coordinates

Céard, Sophie; Gaumet, Vincent; Roche, Danielle; Métin, Jacques; Madesclaire, Michel N,N-Diethylphenylsulfonylacetamide Acta Crystallographica Section C 54(12) (1998) IUC9800067

301,791

2025-08-18

23:15:32

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/80/2008013.cif $ #-------------------------------------------------------------------...

2,229,911

8.0503

0.0006

12.8174

0.0009

13.1833

0.001

90

null

97.271

0.005

90

null

1,349.37

0.17

296

2

296

2

null

4

P 1 21/c 1

-P 2ybc

14

(E)-1-[(4-nitrophenyl)iminiomethyl]naphthalen-2-olate

- C17 H12 N2 O3 -

- C68 H48 N8 O12 -

4

1

BQ2290

Damous, Maamar; Hamlaoui, Meriem; Bouacida, Sofiane; Merazig, Hocine; Daran, Jean-Claude

Zwitterionic (E)-1-[(4-nitrophenyl)iminiomethyl]naphthalen-2-olate

Acta Crystallographica Section E

2,011

67

5

o1123

o1124

10.1107/S1600536811012359

0.71073

MoKα

0.1546

0.0587

null

0.1453

0.1897

null

0.964

null

has coordinates,has Fobs

Damous, Maamar; Hamlaoui, Meriem; Bouacida, Sofiane; Merazig, Hocine; Daran, Jean-Claude Zwitterionic (E)-1-[(4-nitrophenyl)iminiomethyl]naphthalen-2-olate Acta Crystallographica Section E 67(5) (2011) o1123-o1124

301,805

2025-08-19

13:58:39

#------------------------------------------------------------------------------ #$Date: 2025-08-19 16:18:28 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301805 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/22/99/2229911.cif $ #-------------------------------------------------------------------...

2,008,014

7.5872

0.0001

11.1006

0.0002

19.6648

0.0001

90

null

90

null

90

null

1,656.22

0.04

293

2

293

2

null

3

P 21 21 21

P 2ac 2ab

19

1,4-Diphenyl-2,2,3,3-tetrachlorbicyclo[2.2.0]hexane

- C18 H14 Cl4 -

- C72 H56 Cl16 -

4

1

QA0070

Boese, Roland; Roth, Wolfgang R.; Bläser, Dieter; Latz, Rüdiger; Bäumen, Anja

2,2,3,3-Tetrachloro-1,4-diphenylbicyclo[2.2.0]hexane, a Strained Bicyclic System

Acta Crystallographica Section C

1,998

54

12

IUC9800072

10.1107/S0108270198099107

0.71073

MoKα

0.039

0.036

null

0.092

null

1.094

null

has coordinates

Boese, Roland; Roth, Wolfgang R.; Bläser, Dieter; Latz, Rüdiger; Bäumen, Anja 2,2,3,3-Tetrachloro-1,4-diphenylbicyclo[2.2.0]hexane, a Strained Bicyclic System Acta Crystallographica Section C 54(12) (1998) IUC9800072

301,791

2025-08-18

23:15:32

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/80/2008014.cif $ #-------------------------------------------------------------------...

2,008,015

9.848

0.005

17.539

0.009

21.95

0.009

111.06

0.03

92.19

0.04

106.2

0.04

3,357

3

173

2

173

2

null

5

P -1

-P 1

2

- C26 H56 Ag P Si3 -

- C104 H224 Ag4 P4 Si12 -

4

2

QB0054

Stammler, Hans-Georg; Jutzi, Peter; Wieland, Wolfram; Neumann, Beate

(Tributylphosphine-P)[1,2,4-tris(trimethylsilyl)cyclopentadienyl]silver(I)

Acta Crystallographica Section C

1,998

54

12

IUC9800064

10.1107/S0108270198099168

0.71073

MoKα

0.148

0.064

null

0.125

0.082

null

1.211

1.38

null

has coordinates

Stammler, Hans-Georg; Jutzi, Peter; Wieland, Wolfram; Neumann, Beate (Tributylphosphine-P)[1,2,4-tris(trimethylsilyl)cyclopentadienyl]silver(I) Acta Crystallographica Section C 54(12) (1998) IUC9800064

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/80/2008015.cif $ #-------------------------------------------------------------------...

2,008,016

12.5629

0.0006

12.5629

0.0006

7.6587

0.0007

90

null

90

null

90

null

1,208.75

0.14

200

2

200

2

null

6

P 4/n :2

-P 4a

85

Tetraphenylphosphonium tetrachloro[oxovanadate(V)]

- C24 H20 Cl4 O P V -

- C48 H40 Cl8 O2 P2 V2 -

2

0.25

QB0064

Wulff-Molder, Dirk; Meisel, Manfred

Tetraphenylphosphonium Tetrachlorooxovanadate(V)

Acta Crystallographica Section C

1,998

54

12

IUC9800068

10.1107/S010827019809917X

0.71073

MoKα

0.066

0.036

null

0.097

null

0.08

null

1.155

null

1.144

null

has coordinates

Wulff-Molder, Dirk; Meisel, Manfred Tetraphenylphosphonium Tetrachlorooxovanadate(V) Acta Crystallographica Section C 54(12) (1998) IUC9800068

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/80/2008016.cif $ #-------------------------------------------------------------------...

2,008,017

8.9459

0.0002

5.4133

0.0002

13.2114

0.0003

90

null

90

null

90

null

639.79

0.03

299

2

299

2

null

3

P n m a

-P 2ac 2n

62

α strontium diphosphate

α distrontium diphosphate

- O7 P2 Sr2 -

- O28 P8 Sr8 -

4

0.5

QB0066

Jacques Barbier; Jean-Philippe Echard

A New Refinement of α-Sr~2~P~2~O~7~

Acta Crystallographica Section C

1,998

54

12

IUC9800070

10.1107/S0108270198099181

0.71073

MoKα

0.0268

0.0206

null

0.0471

0.0458

null

1.248

1.29

null

has coordinates

Jacques Barbier; Jean-Philippe Echard A New Refinement of α-Sr~2~P~2~O~7~ Acta Crystallographica Section C 54(12) (1998) IUC9800070

301,791

2025-08-18

23:15:32

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/80/2008017.cif $ #-------------------------------------------------------------------...

2,008,018

29.432

0.004

7.292

0.001

15.958

0.002

90

null

117.12

0.01

90

null

3,048.3

0.8

173

2

173

2

null

4

C 1 2/c 1

-C 2yc

15

p-Methoxyacetophenone-2,4-dinitrophenylhydrazone

- C15 H14 N4 O5 -

- C120 H112 N32 O40 -

8

1

QB0067

Bolte, Michael; Dill, Michele

4'-Methoxyacetophenone 2,4-Dinitrophenylhydrazone at 173K

Acta Crystallographica Section C

1,998

54

12

IUC9800065

10.1107/S0108270198099090

0.71073

MoKα

0.052

0.041

null

0.119

null

1.029

null

has coordinates,has Fobs

Bolte, Michael; Dill, Michele 4'-Methoxyacetophenone 2,4-Dinitrophenylhydrazone at 173K Acta Crystallographica Section C 54(12) (1998) IUC9800065

301,791

2025-08-18

23:15:32

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/80/2008018.cif $ #-------------------------------------------------------------------...

2,008,019

8.8787

0.0016

7.9846

0.0016

12.395

0.003

90

null

100.243

0.015

90

null

864.7

0.3

293

2

293

2

null

3

P 1 21/c 1

-P 2ybc

14

cis-8-Methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxylic acid

- C10 H10 O2 -

- C40 H40 O8 -

4

1

QB0068

Boese, Roland; Roth, Wolfgang R.; Bläser, Dieter; Latz, Rüdiger; Bäumen, Anja

cis-8-Methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxylic Acid at 293K

Acta Crystallographica Section C

1,998

54

12

IUC9800069

10.1107/S0108270198099089

0.71073

MoKα

0.114

0.0736

null

0.2064

null

1.074

null

has coordinates

Boese, Roland; Roth, Wolfgang R.; Bläser, Dieter; Latz, Rüdiger; Bäumen, Anja cis-8-Methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxylic Acid at 293K Acta Crystallographica Section C 54(12) (1998) IUC9800069

301,791

2025-08-18

23:15:32

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/80/2008019.cif $ #-------------------------------------------------------------------...

2,008,020

7.792

0.001

10.39

0.001

18.894

0.002

90

null

90

null

90

null

1,529.6

0.3

293

2

293

2

null

4

P b c a

-P 2ac 2ab

61

- C8 H4 Ba O4 -

- C64 H32 Ba8 O32 -

8

1

SK1168

Lo, Samuel Man Fung; Chui, Stephen Sin Yin; Williams, Ian D.

Barium Terephthalate, a Three-Dimensional Coordination Polymer with 7:7 Cation‒Anion Connectivity

Acta Crystallographica Section C

1,998

54

12

1846

1848

10.1107/S0108270198009512

0.71073

MoKα

0.0388

0.0248

null

0.0594

0.0487

null

1.053

1.088

null

has coordinates,has Fobs

Lo, Samuel Man Fung; Chui, Stephen Sin Yin; Williams, Ian D. Barium Terephthalate, a Three-Dimensional Coordination Polymer with 7:7 Cation‒Anion Connectivity Acta Crystallographica Section C 54(12) (1998) 1846-1848

176,435

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/80/2008020.cif $ #-------------------------------------------------------------------...

2,229,910

24.725

0.005

10.969

0.002

7.4196

0.0015

90

null

90.23

0.03

90

null

2,012.2

0.7

293

2

293

2

null

5

C 1 2/c 1

-C 2yc

15

catena-Poly[[diaquabis(formato-κO)nickel(II)]-μ- 2,4,6-tris(4-pyridyl)-1,3,5-triazine-κ^2^N^2^:N^4^]

- C20 H18 N6 Ni O6 -

- C80 H72 N24 Ni4 O24 -

4

0.5

BQ2289

Feng, Miao; Tian, Hui-Juan; Mi, Huai-Feng; Hu, Tong-Liang

catena-Poly[[diaquabis(formato-κO)nickel(II)]-μ-2,4,6-tris(4-pyridyl)-1,3,5-triazine-κ^2^N^2^:N^4^]

Acta Crystallographica Section E

2,011

67

5

m563

10.1107/S1600536811012281

0.71073

MoKα

0.0461

0.0337

null

0.0734

0.0775

null

1.051

null

has coordinates,has Fobs

Feng, Miao; Tian, Hui-Juan; Mi, Huai-Feng; Hu, Tong-Liang catena-Poly[[diaquabis(formato-κO)nickel(II)]-μ-2,4,6-tris(4-pyridyl)-1,3,5-triazine-κ^2^N^2^:N^4^] Acta Crystallographica Section E 67(5) (2011) m563

176,789

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 22:30:07 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176789 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/22/99/2229910.cif $ #-------------------------------------------------------------------...

2,008,021

9.57

0.0003

20.2292

0.0007

22.1484

0.0005

90

null

100.122

0.001

90

null

4,221

0.2

293

2

293

2

null

8

P 1 21/c 1

-P 2ybc

14

- C34 H44 Br Cl2 Mo2 N O6 S2 -

- C136 H176 Br4 Cl8 Mo8 N4 O24 S8 -

4

1

SK1177

Pan, Guohua; Zhuang, Botao; Chen, Jiutong

A Hetero-Tribridged Dinuclear Molybdenum Compound [Bu~4~N][Mo~2~(CO)~6~(p-Cl-C~6~H~4~ S)~2~Br]

Acta Crystallographica Section C

1,998

54

12

1815

1816

10.1107/S010827019800763X

0.71073

MoKα

0.1922

0.0657

null

0.2497

0.1591

null

0.886

1.049

null

has coordinates

Pan, Guohua; Zhuang, Botao; Chen, Jiutong A Hetero-Tribridged Dinuclear Molybdenum Compound [Bu~4~N][Mo~2~(CO)~6~(p-Cl-C~6~H~4~ S)~2~Br] Acta Crystallographica Section C 54(12) (1998) 1815-1816

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/80/2008021.cif $ #-------------------------------------------------------------------...

2,008,022

32.421

0.003

6.235

0.001

22.646

0.001

90

null

91.333

0.007

90

null

4,576.5

0.9

292

2

292

2

null

5

C 1 2/c 1

-C 2yc

15

(1S^*^,3S^*^)-3-methoxy-1-methyl-3-phenyl-3-(1,1,1-trimethylsilyl)-propyl 3,5-dinitrobenzoate.

- C21 H26 N2 O7 Si -

- C168 H208 N16 O56 Si8 -

8

1

SK1185

Baudoux, Guy; Norberg, Bernadette; Bousbaa, Jamal; Krief, Alain; Evrard, Guy

A Dinitrobenzoate Derivative of an α-Methoxy-γ-hydroxysilane

Acta Crystallographica Section C

1,998

54

12

1944

1945

10.1107/S0108270198004612

1.54178

CuKα

0.0478

0.0402

null

0.1215

null

1.11

null

has coordinates,has Fobs

Baudoux, Guy; Norberg, Bernadette; Bousbaa, Jamal; Krief, Alain; Evrard, Guy A Dinitrobenzoate Derivative of an α-Methoxy-γ-hydroxysilane Acta Crystallographica Section C 54(12) (1998) 1944-1945

301,791

2025-08-18

23:15:32

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/80/2008022.cif $ #-------------------------------------------------------------------...

2,008,023

9.315

0.002

10.849

0.002

9.407

0.002

90

null

90

null

90

null

950.7

0.3

293

2

293

2

null

3

P n m a

-P 2ac 2n

62

tripotassium-tantalum-tetrasulfide

- K3 S4 Ta -

- K12 S16 Ta4 -

4

0.5

SK1197

Herzog, Sabine; Näther, Christian; Bensch, Wolfgang

K~3~Ta S~4~

Acta Crystallographica Section C

1,998

54

12

1742

1744

10.1107/S0108270198007641

0.71073

MoKα

0.0332

0.0304

null

0.0781

0.076

null

1.103

1.129

null

has coordinates

Herzog, Sabine; Näther, Christian; Bensch, Wolfgang K~3~Ta S~4~ Acta Crystallographica Section C 54(12) (1998) 1742-1744

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/80/2008023.cif $ #-------------------------------------------------------------------...

2,008,024

17.066

0.002

16.863

0.002

18.487

0.002

90

null

94.65

0.011

90

null

5,302.8

1.1

160

2

160

2

null

6

C 1 2/c 1

-C 2yc

15

[Cu(bpy)3][Ni(dmit)2]2

[Tris-(2,2'-bipyridyl)copper(II)]-bis-[bis(2-thioxo-1,3-dithiole-4,5- dithiolato)nickelate(III)]

- C42 H24 Cu N6 Ni2 S20 -

- C168 H96 Cu4 N24 Ni8 S80 -

4

0.5

SK1205

Faulmann, Christophe; Veldhuizen, Yvonne S. J.; Haasnoot, Jaap G.; Reedijk, Jan; Cassoux, Patrick

A New Ni(dmit)~2~ Salt with a Paramagnetic Cation: [Cu(bpy)~3~][Ni(C~3~S~5~)~2~]~2~

Acta Crystallographica Section C

1,998

54

12

1827

1830

10.1107/S0108270198011007

0.71073

MoKα

0.039

0.028

null

0.07

null

1.003

null

has coordinates

Faulmann, Christophe; Veldhuizen, Yvonne S. J.; Haasnoot, Jaap G.; Reedijk, Jan; Cassoux, Patrick A New Ni(dmit)~2~ Salt with a Paramagnetic Cation: [Cu(bpy)~3~][Ni(C~3~S~5~)~2~]~2~ Acta Crystallographica Section C 54(12) (1998) 1827-1830

176,435

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/80/2008024.cif $ #-------------------------------------------------------------------...

2,229,909

29.858

0.006

14.542

0.003

7.671

0.0015

90

null

95.19

0.03

90

null

3,317.1

1.2

293

2

293

2

null

5

C 1 2/c 1

-C 2yc

15

5-(2-Methoxyphenyl)-1,3,4-thiadiazol-2-yl 2-methoxybenzoate hemihydrate

- C17 H15 N2 O4.5 S -

- C136 H120 N16 O36 S8 -

8

1

BQ2283

Yao, Jin-hua; Guo, Bing; An, Kang; Guan, Jian-ning

5-(2-Methoxyphenyl)-1,3,4-thiadiazol-2-yl 2-methoxybenzoate hemihydrate

Acta Crystallographica Section E

2,011

67

5

o1046

10.1107/S1600536811010373

0.71073

MoKα

0.1061

0.0633

null

0.1536

0.1755

null

1.003

null

has coordinates,has Fobs

Yao, Jin-hua; Guo, Bing; An, Kang; Guan, Jian-ning 5-(2-Methoxyphenyl)-1,3,4-thiadiazol-2-yl 2-methoxybenzoate hemihydrate Acta Crystallographica Section E 67(5) (2011) o1046

301,805

2025-08-19

13:58:39

#------------------------------------------------------------------------------ #$Date: 2025-08-19 16:18:28 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301805 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/22/99/2229909.cif $ #-------------------------------------------------------------------...

2,008,025

8.467

0.0007

9.7895

0.0006

11.0973

0.0006

73.717

0.006

81.592

0.006

87.474

0.009

873.44

0.11

293

2

293

2

null

4

P -1

-P 1

2

- C18 H18 N2 O6 -

- C36 H36 N4 O12 -

2

1

SK1209

Francese, Giancarlo; Neels, Antonia; Stoeckli-Evans, Helen; Decurtins, Silvio

Diethyl N,N'-(Naphthalene-1,8-diyl)dioxamate

Acta Crystallographica Section C

1,998

54

12

1858

1859

10.1107/S0108270198009652

0.71073

MoKα

0.074

0.05

null

0.199

null

1.256

null

has coordinates

Francese, Giancarlo; Neels, Antonia; Stoeckli-Evans, Helen; Decurtins, Silvio Diethyl N,N'-(Naphthalene-1,8-diyl)dioxamate Acta Crystallographica Section C 54(12) (1998) 1858-1859

301,791

2025-08-18

23:15:32

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/80/2008025.cif $ #-------------------------------------------------------------------...

2,008,026

12.8086

0.0009

6.6542

0.0004

14.4143

0.001

90

null

97.679

0.009

90

null

1,217.53

0.14

294

1

294

1

null

4

P 1 21 1

P 2yb

4

5-Deoxy-1,2-O-isopropylidene-5-C-triphenylstannyl-α-L-xylofuranose.

- C26 H28 O4 Sn -

- C52 H56 O8 Sn2 -

2

1

SK1213

Rufino, Helena; Wardell, James L.; Low, John N.; Falconer, Ruth; Ferguson, George

5-Deoxy-1,2-O-isopropylidene-5-C-triphenylstannyl-α-L-xylofuranose

Acta Crystallographica Section C

1,998

54

12

1792

1794

10.1107/S0108270198009524

0.71073

MoKα

0.022

0.017

null

0.04

null

1.025

null

has coordinates

Rufino, Helena; Wardell, James L.; Low, John N.; Falconer, Ruth; Ferguson, George 5-Deoxy-1,2-O-isopropylidene-5-C-triphenylstannyl-α-L-xylofuranose Acta Crystallographica Section C 54(12) (1998) 1792-1794

201,955

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-10-13 03:08:28 +0300 (Fri, 13 Oct 2017) $ #$Revision: 201955 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/80/2008026.cif $ #-------------------------------------------------------------------...

2,008,027

10.1013

0.0009

11.82

0.001

14.1077

0.0011

77.388

0.007

85.339

0.007

74.803

0.006

1,585.8

0.2

294

1

294

1

null

3

P -1

-P 1

2

(4-Methoxyphenyl)diphenylmethanol

- C20 H18 O2 -

- C80 H72 O8 -

4

2

SK1217

Patterson, Iain L. J.; Glidewell, Christopher; Ferguson, George

(4-Methoxyphenyl)diphenylmethanol, an Unusual Tetramer Containing a D[R] Pattern of Hydrogen Bonds, and Tris(2-methoxyphenyl)methanol

Acta Crystallographica Section C

1,998

54

12

1970

1974

10.1107/S0108270198009329

0.7107

MolybdenumKα

0.09

0.037

null

0.102

null

1.008

null

has coordinates

Patterson, Iain L. J.; Glidewell, Christopher; Ferguson, George (4-Methoxyphenyl)diphenylmethanol, an Unusual Tetramer Containing a D[R] Pattern of Hydrogen Bonds, and Tris(2-methoxyphenyl)methanol Acta Crystallographica Section C 54(12) (1998) 1970-1974

301,791

2025-08-18

23:15:32

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/80/2008027.cif $ #-------------------------------------------------------------------...

2,008,028

11.9327

0.0008

10.5752

0.0009

14.6833

0.0011

90

null

101.857

0.006

90

null

1,813.4

0.2

294

1

294

1

null

3

C 1 c 1

C -2yc

9

Tris(2-methoxyphenyl)methanol

- C22 H22 O4 -

- C88 H88 O16 -

4

1

SK1217

Patterson, Iain L. J.; Glidewell, Christopher; Ferguson, George

(4-Methoxyphenyl)diphenylmethanol, an Unusual Tetramer Containing a D[R] Pattern of Hydrogen Bonds, and Tris(2-methoxyphenyl)methanol

Acta Crystallographica Section C

1,998

54

12

1970

1974

10.1107/S0108270198009329

0.7107

MolybdenumKα

0.048

0.031

null

0.081

null

1.056

null

has coordinates,has disorder

Patterson, Iain L. J.; Glidewell, Christopher; Ferguson, George (4-Methoxyphenyl)diphenylmethanol, an Unusual Tetramer Containing a D[R] Pattern of Hydrogen Bonds, and Tris(2-methoxyphenyl)methanol Acta Crystallographica Section C 54(12) (1998) 1970-1974

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/80/2008028.cif $ #-------------------------------------------------------------------...

2,018,056

10.6043

0.0006

10.4104

0.0005

13.4126

0.0006

90

null

90

null

90

null

1,480.68

0.13

100

1

100

1

null

4

P 21 21 21

P 2ac 2ab

19

Thiadianin's amine

(S)-4-(4-Aminophenyl)-2,2,4-trimethylthiachroman

- C18 H21 N S -

- C72 H84 N4 S4 -

4

1

BM3104

Frampton, Christopher S.; MacNicol, David D.; Wilson, Derek R.

(R)-4-(4-Aminophenyl)-2,2,4-trimethylchroman and (S)-4-(4-aminophenyl)-2,2,4-trimethylthiachroman

Acta Crystallographica Section C

2,011

67

5

o188

o191

10.1107/S0108270111012157

1.54178

CuKα

0.0276

0.0272

null

0.0693

0.0697

null

1.004

null

has coordinates,has Fobs

Frampton, Christopher S.; MacNicol, David D.; Wilson, Derek R. (R)-4-(4-Aminophenyl)-2,2,4-trimethylchroman and (S)-4-(4-aminophenyl)-2,2,4-trimethylthiachroman Acta Crystallographica Section C 67(5) (2011) o188-o191

301,798

2025-08-19

6:44:10

#------------------------------------------------------------------------------ #$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/2/01/80/2018056.cif $ #-------------------------------------------------------------------...

2,008,029

17.104

0.001

6.012

0.001

8.11

0.001

90

null

95.46

0.01

90

null

830.16

0.18

173

2

173

2

null

3

P 1 21/c 1

-P 2ybc

14

2-Methoxynaphthalene

- C11 H10 O -

- C44 H40 O4 -

4

1

SK1220

Bolte, Michael; Bauch, Christian

2-Methoxynaphthalene at 173K

Acta Crystallographica Section C

1,998

54

12

1862

1863

10.1107/S0108270198009330

0.71073

MoKα

0.046

0.038

null

0.112

null

1.072

null

has coordinates,has Fobs

Bolte, Michael; Bauch, Christian 2-Methoxynaphthalene at 173K Acta Crystallographica Section C 54(12) (1998) 1862-1863

301,791

2025-08-18

23:15:32

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/80/2008029.cif $ #-------------------------------------------------------------------...

2,008,030

4.1787

0.0005

13.245

0.002

14.856

0.003

90

null

90

null

90

null

822.2

0.2

294

1

294

1

null

5

P 21 21 21

P 2ac 2ab

19

2,4-dibromo-6-chloroaniline

- C6 H4 Br2 Cl N -

- C24 H16 Br8 Cl4 N4 -

4

1

SK1221

Ferguson, George; Low, John N.; Penner, Glenn H.; Wardell, James L.

2,4,6-Halogeno-Aniline Derivatives

Acta Crystallographica Section C

1,998

54

12

1974

1977

10.1107/S0108270198009354

0.7107

MolybdenumKα

0.153

0.063

null

0.142

null

0.937

null

has coordinates,has Fobs

Ferguson, George; Low, John N.; Penner, Glenn H.; Wardell, James L. 2,4,6-Halogeno-Aniline Derivatives Acta Crystallographica Section C 54(12) (1998) 1974-1977

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/80/2008030.cif $ #-------------------------------------------------------------------...

2,008,031

16.7289

0.0015

4.6993

0.0005

25.928

0.003

90

null

95.22

0.014

90

null

2,029.9

0.4

294

1

294

1

null

6

C 1 2/c 1

-C 2yc

15

N-acetyl 4-bromo-2,6-dichloroaniline

- C8 H6 Br Cl2 N O -

- C64 H48 Br8 Cl16 N8 O8 -

8

1

SK1221

Ferguson, George; Low, John N.; Penner, Glenn H.; Wardell, James L.

2,4,6-Halogeno-Aniline Derivatives

Acta Crystallographica Section C

1,998

54

12

1974

1977

10.1107/S0108270198009354

0.7107

MolybdenumKα

0.075

0.043

null

0.112

null

0.968

null

has coordinates,has Fobs

Ferguson, George; Low, John N.; Penner, Glenn H.; Wardell, James L. 2,4,6-Halogeno-Aniline Derivatives Acta Crystallographica Section C 54(12) (1998) 1974-1977

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/80/2008031.cif $ #-------------------------------------------------------------------...

2,008,032

4.5575

0.0005

11.4987

0.0012

15.026

0.002

90

null

90

null

90

null

787.44

0.16

294

1

294

1

null

6

P 21 21 21

P 2ac 2ab

19

N-formyl 4-bromo-2,6-difluoroaniline

- C7 H4 Br F2 N O -

- C28 H16 Br4 F8 N4 O4 -

4

1

SK1221

Ferguson, George; Low, John N.; Penner, Glenn H.; Wardell, James L.

2,4,6-Halogeno-Aniline Derivatives

Acta Crystallographica Section C

1,998

54

12

1974

1977

10.1107/S0108270198009354

0.7107

MolybdenumKα

0.089

0.054

null

0.137

null

0.975

null

has coordinates,has Fobs

Ferguson, George; Low, John N.; Penner, Glenn H.; Wardell, James L. 2,4,6-Halogeno-Aniline Derivatives Acta Crystallographica Section C 54(12) (1998) 1974-1977

301,791

2025-08-18

23:15:32

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/80/2008032.cif $ #-------------------------------------------------------------------...

2,008,033

8.322

0.0007

12.5682

0.0011

18.6853

0.0018

94.663

0.008

96.98

0.007

95.479

0.006

1,922.4

0.3

294

1

294

1

null

5

P -1

-P 1

2

3-Ferrocenyl-2-phenyl-6-nitroquinoxaline

- C24 H17 Fe N3 O2 -

- C96 H68 Fe4 N12 O8 -

4

2

SK1223

Ahmed, S. Zaka; Ferguson, George; Glidewell, Christopher

3-Ferrocenyl-6-nitro-2-phenylquinoxaline: Cyclic Centrosymmetric Dimers Depending on both C—H···O Hydrogen Bonds and π-π Stacking Interactions

Acta Crystallographica Section C

1,998

54

12

1839

1842

10.1107/S0108270198009664

0.7107

MoKα

0.067

0.041

null

0.111

null

0.951

null

has coordinates,has disorder

Ahmed, S. Zaka; Ferguson, George; Glidewell, Christopher 3-Ferrocenyl-6-nitro-2-phenylquinoxaline: Cyclic Centrosymmetric Dimers Depending on both C—H···O Hydrogen Bonds and π-π Stacking Interactions Acta Crystallographica Section C 54(12) (1998) 1839-1842

301,791

2025-08-18

23:15:32

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/80/2008033.cif $ #-------------------------------------------------------------------...

2,008,034

22.322

0.005

11.801

0.003

7.425

0.001

90

null

90

null

90

null

1,955.9

0.7

293

2

293

2

null

4

P 21 21 21

P 2ac 2ab

19

(-)-Tetrahydropalmatine Monohydrate

- C21 H27 N O5 -

- C84 H108 N4 O20 -

4

1

SK1224

Luger, Peter; Weber, Manuela; Dung, Nguyen Xuan; Moi, La Dinh; Khoi, Ta Thi; Phuong, Doan Lan

({-})-Tetrahydropalmatine Monohydrate

Acta Crystallographica Section C

1,998

54

12

1977

1980

10.1107/S0108270198009676

1.5418

CuKα

0.064

0.039

null

0.117

0.104

null

1.166

1.236

null

has coordinates

Luger, Peter; Weber, Manuela; Dung, Nguyen Xuan; Moi, La Dinh; Khoi, Ta Thi; Phuong, Doan Lan ({-})-Tetrahydropalmatine Monohydrate Acta Crystallographica Section C 54(12) (1998) 1977-1980

301,791

2025-08-18

23:15:32

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/80/2008034.cif $ #-------------------------------------------------------------------...

2,018,055

10.23394

0.00011

10.25106

0.0001

13.47563

0.00013

90

null

90

null

90

null

1,413.71

0.02

100

1

100

1

null

4

P 21 21 21

P 2ac 2ab

19

Dianin's amine

(R)-4-(4-Aminophenyl)-2,2,4-trimethylchroman

- C18 H21 N O -

- C72 H84 N4 O4 -

4

1

BM3104

Frampton, Christopher S.; MacNicol, David D.; Wilson, Derek R.

(R)-4-(4-Aminophenyl)-2,2,4-trimethylchroman and (S)-4-(4-aminophenyl)-2,2,4-trimethylthiachroman

Acta Crystallographica Section C

2,011

67

5

o188

o191

10.1107/S0108270111012157

1.54178

CuKα

0.0265

0.0264

null

0.0713

0.0715

null

1.003

null

has coordinates,has Fobs

Frampton, Christopher S.; MacNicol, David D.; Wilson, Derek R. (R)-4-(4-Aminophenyl)-2,2,4-trimethylchroman and (S)-4-(4-aminophenyl)-2,2,4-trimethylthiachroman Acta Crystallographica Section C 67(5) (2011) o188-o191

301,798

2025-08-19

6:44:10

#------------------------------------------------------------------------------ #$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/2/01/80/2018055.cif $ #-------------------------------------------------------------------...

2,008,035

10.677

0.002

12.374

0.002

8.946

0.002

110.41

0.02

107.9

0.02

99.5

0.02

1,003.8

0.4

293

2

293

2

null

6

P -1

-P 1

2

pivaloyloxymethyl 4-chloro-N-furfuryl-5-sulfamoylanthranilate

- C18 H21 Cl N2 O7 S -

- C36 H42 Cl2 N4 O14 S2 -

2

1

SX1045

Suescun, Leopoldo; Mariezcurrena, Raúl A.; Mombrú, Alvaro W.; González, Oscar A.; Manta, Eduardo; Prandi, Carolina

Three Isostructural Furosemide Prodrugs

Acta Crystallographica Section C

1,998

54

12

1911

1915

10.1107/S0108270198007653

0.71069

MoKα

0.093

0.058

null

0.194

0.162

null

1.041

1.099

null

has coordinates

Suescun, Leopoldo; Mariezcurrena, Raúl A.; Mombrú, Alvaro W.; González, Oscar A.; Manta, Eduardo; Prandi, Carolina Three Isostructural Furosemide Prodrugs Acta Crystallographica Section C 54(12) (1998) 1911-1915

301,791

2025-08-18

23:15:32

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/80/2008035.cif $ #-------------------------------------------------------------------...

2,008,036

10.494

0.002

12.679

0.002

8.606

0.002

107.08

0.02

107.39

0.02

103.77

0.02

975.6

0.4

293

2

293

2

null

6

P -1

-P 1

2

butyryoxymethyl 4-chloro-N-furfuryl-5-sulfamoylanthranilate

- C17 H19 Cl N2 O7 S -

- C34 H38 Cl2 N4 O14 S2 -

2

1

SX1045

Suescun, Leopoldo; Mariezcurrena, Raúl A.; Mombrú, Alvaro W.; González, Oscar A.; Manta, Eduardo; Prandi, Carolina

Three Isostructural Furosemide Prodrugs

Acta Crystallographica Section C

1,998

54

12

1911

1915

10.1107/S0108270198007653

0.71069

MoKα

0.062

0.049

null

0.157

0.144

null

1.035

1.07

null

has coordinates

Suescun, Leopoldo; Mariezcurrena, Raúl A.; Mombrú, Alvaro W.; González, Oscar A.; Manta, Eduardo; Prandi, Carolina Three Isostructural Furosemide Prodrugs Acta Crystallographica Section C 54(12) (1998) 1911-1915

176,435

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/80/2008036.cif $ #-------------------------------------------------------------------...

2,008,037

10.58

0.002

12.471

0.002

8.643

0.003

107.78

0.02

107.76

0.02

102.863

0.014

969.4

0.5

293

2

293

2

null

6

P -1

-P 1

2

isobutyryloxymethyl 4-chloro-N-furfuryl-5-sulfamoylanthranilate

- C17 H19 Cl N2 O7 S -

- C34 H38 Cl2 N4 O14 S2 -

2

1

SX1045

Suescun, Leopoldo; Mariezcurrena, Raúl A.; Mombrú, Alvaro W.; González, Oscar A.; Manta, Eduardo; Prandi, Carolina

Three Isostructural Furosemide Prodrugs

Acta Crystallographica Section C

1,998

54

12

1911

1915

10.1107/S0108270198007653

0.71069

MoKα

0.069

0.058

null

0.18

0.169

null

1.089

1.137

null

has coordinates

Suescun, Leopoldo; Mariezcurrena, Raúl A.; Mombrú, Alvaro W.; González, Oscar A.; Manta, Eduardo; Prandi, Carolina Three Isostructural Furosemide Prodrugs Acta Crystallographica Section C 54(12) (1998) 1911-1915

301,791

2025-08-18

23:15:32

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/80/2008037.cif $ #-------------------------------------------------------------------...

2,008,038

7.8978

0.0001

9.1364

0.0002

13.7581

0.0001

90

null

90

null

90

null

992.75

0.03

198

2

null

4

P 21 21 21

P 2ac 2ab

19

- C7 H14 N2 O6 -

- C28 H56 N8 O24 -

4

1

SX1069

Jarred T. Blank; Slawomir Z. Janicki; Peter A. Petillo

β-1-N-Ureido-D-glucopyranose

Acta Crystallographica Section C

1,998

54

12

1992

1994

10.1107/S0108270198007665

0.71073

MoKα

0.041

0.038

null

0.089

0.086

null

1.086

1.083

null

has coordinates

Jarred T. Blank; Slawomir Z. Janicki; Peter A. Petillo β-1-N-Ureido-D-glucopyranose Acta Crystallographica Section C 54(12) (1998) 1992-1994

301,791

2025-08-18

23:15:32

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/80/2008038.cif $ #-------------------------------------------------------------------...

2,008,039

7.486

0.0004

10.889

0.001

15.456

0.001

90

null

94.916

0.006

90

null

1,255.26

0.16

300

2

300

2

null

4

P 1 21/c 1

-P 2ybc

14

O-Nitrobenzaldehyde isonicotinoylhydrazone

- C13 H10 N4 O3 -

- C52 H40 N16 O12 -

4

1

TA1206

Liu, Shu-Hua; Chen, Xiao-Feng; Xu, Yao-Hua; You, Xiao-Zeng; Chen, Wei; Arifin, Zainudin

o-Nitrobenzaldehyde Isonicotinoylhydrazone

Acta Crystallographica Section C

1,998

54

12

1919

1921

10.1107/S0108270198008774

0.71073

MoKα

0.1

0.055

null

0.145

0.127

null

0.99

1.166

null

has coordinates

Liu, Shu-Hua; Chen, Xiao-Feng; Xu, Yao-Hua; You, Xiao-Zeng; Chen, Wei; Arifin, Zainudin o-Nitrobenzaldehyde Isonicotinoylhydrazone Acta Crystallographica Section C 54(12) (1998) 1919-1921

301,791

2025-08-18

23:15:32

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2,018,054

26.7321

0.0005

26.7321

0.0005

10.87

0.0003

90

null

90

null

120

null

6,727.1

0.3

100

1

100

1

null

3

R -3 :H

-R 3

148

racemic guest-free Dianin's compound

4-(4-hydroxyphenyl)-2,2,4-trimethylchroman

- C18 H20 O2 -

- C324 H360 O36 -

18

1

BM3104

Frampton, Christopher S.; MacNicol, David D.; Wilson, Derek R.

(R)-4-(4-Aminophenyl)-2,2,4-trimethylchroman and (S)-4-(4-aminophenyl)-2,2,4-trimethylthiachroman

Acta Crystallographica Section C

2,011

67

5

o188

o191

10.1107/S0108270111012157

1.54178

CuKα

0.039

0.0371

null

0.1227

0.1261

null

1.002

null

has coordinates,has Fobs

Frampton, Christopher S.; MacNicol, David D.; Wilson, Derek R. (R)-4-(4-Aminophenyl)-2,2,4-trimethylchroman and (S)-4-(4-aminophenyl)-2,2,4-trimethylthiachroman Acta Crystallographica Section C 67(5) (2011) o188-o191

301,798

2025-08-19

6:44:10

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2,008,040

6.996

0.001

8.106

0.001

13.602

0.001

85.68

0.01

88.36

0.01

74.88

0.01

742.51

0.15

293

2

293

2

null

5

P -1

-P 1

2

4-hydroxy-2-methyl-N-(5-methyl-2-thiazole)-2H-1,2-benzothiazine-3 -carboxamide 1,1-dioxide

- C14 H13 N3 O4 S2 -

- C28 H26 N6 O8 S4 -

2

1

VJ1082

Fabiola, G. Felcy; Pattabhi, Vasantha; Manjunatha, S. G.; Venkateshwar Rao, G.; Nagarajan, K.

4-Hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2H-1,2-benzothiazine-3-carboxamide 1,1-Dioxide

Acta Crystallographica Section C

1,998

54

12

2001

2003

10.1107/S0108270198008452

1.5418

CuKα

0.042

0.035

null

0.1

0.089

null

1.061

1.029

null

has coordinates

Fabiola, G. Felcy; Pattabhi, Vasantha; Manjunatha, S. G.; Venkateshwar Rao, G.; Nagarajan, K. 4-Hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2H-1,2-benzothiazine-3-carboxamide 1,1-Dioxide Acta Crystallographica Section C 54(12) (1998) 2001-2003

301,791

2025-08-18

23:15:32

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2,008,041

4.8509

0.0015

14.0214

0.0012

16.671

0.003

90

null

97.43

0.02

90

null

1,124.4

0.4

293

2

293

2

null

5

P 1 21/n 1

-P 2yn

14

thiabendazole nitrate

[4-(2-benzimidazolyl)thiazole]nitrate

- C10 H8 N4 O3 S -

- C40 H32 N16 O12 S4 -

4

1

VJ1084

Murugesan, Somasundaram; Prabakaran, Ponraj; Thomas Muthiah, Packianathan

Thiabendazolium Nitrate, an Anthelmintic Compound

Acta Crystallographica Section C

1,998

54

12

1905

1907

10.1107/S0108270198008968

0.7107

MoKα

0.049

null

0.122

null

0.122

null

1.15

1.213

null

has coordinates

Murugesan, Somasundaram; Prabakaran, Ponraj; Thomas Muthiah, Packianathan Thiabendazolium Nitrate, an Anthelmintic Compound Acta Crystallographica Section C 54(12) (1998) 1905-1907

301,791

2025-08-18

23:15:32

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2,008,042

11.8769

0.0001

11.8769

0.0001

23.0394

0.0004

90

null

90

null

120

null

2,814.54

0.06

228

2

228

2

null

6

R -3 m :H

-R 3 2"

166

- Co H28 I Mo6 Na3 O38 -

- Co1.02 I Mo6 Na3 O38 -

- Co3.06 I3 Mo18 Na9 O114 -

3

0.083333

BK1375

Rosu, Cristina; Dickman, Michael H.

Cobalt(II) trisodium hexamolybdoperiodate tetradecahydrate

Acta Crystallographica Section C

1,999

55

1

11

13

10.1107/S0108270198011391

0.71073

MoKα

0.0357

0.0334

null

0.1024

0.0997

null

1.167

1.181

null

has coordinates

Rosu, Cristina; Dickman, Michael H. Cobalt(II) trisodium hexamolybdoperiodate tetradecahydrate Acta Crystallographica Section C 55(1) (1999) 11-13

176,435

2020-10-21

18:00:00

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2,008,043

12.852

0.002

12.852

0.002

13.037

0.003

90

null

90

null

90

null

2,153.4

0.7

293

2

293

2

null

6

P 43 21 2

P 4nw 2abw

96

- C12 H33 Cl4 Co N4 O3 -

- C12 H30 Cl4 Co N4 O3 -

- C48 H120 Cl16 Co4 N16 O12 -

4

0.5

BK1391

Jeong, Jong Hwa; Kim, Dong Yeub; Lee, Dong Jin; Lee, Bae Wook; Doh, Myung Ki

Oxonium Λ-{N,N'-bis[2(S)-pyrrolidinylmethyl]ethane-1,2-diamine}-cis-α-dichlorocobalt(III) dichloride dihydrate

Acta Crystallographica Section C

1,999

55

1

56

58

10.1107/S0108270198009421

0.71073

MoKα

0.046

0.042

null

0.088

null

1.084

null

has coordinates,has Fobs

Jeong, Jong Hwa; Kim, Dong Yeub; Lee, Dong Jin; Lee, Bae Wook; Doh, Myung Ki Oxonium Λ-{N,N'-bis[2(S)-pyrrolidinylmethyl]ethane-1,2-diamine}-cis-α-dichlorocobalt(III) dichloride dihydrate Acta Crystallographica Section C 55(1) (1999) 56-58

176,432

2020-10-21

18:00:00

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2,018,053

9.5741

0.001

9.9089

0.0011

11.3324

0.0012

99.957

0.006

90.886

0.007

116.562

0.006

941.87

0.18

296

2

296

2

null

5

P -1

-P 1

2

Benzyladeninium p-toluene sulfonate

6-benzylamino-7H-purin-3-ium p-toluenesulfonate

- C19 H19 N5 O3 S -

- C38 H38 N10 O6 S2 -

2

1

BM3103

Tamilselvi, Duraisamy; Muthiah, P. Thomas

Supramolecular patterns in benzyladeninium p-toluenesulfonate

Acta Crystallographica Section C

2,011

67

5

o192

o194

10.1107/S0108270111013424

0.71073

MoKα

0.1199

0.0584

null

0.1702

0.2104

null

0.97

null

has coordinates,has Fobs

Tamilselvi, Duraisamy; Muthiah, P. Thomas Supramolecular patterns in benzyladeninium p-toluenesulfonate Acta Crystallographica Section C 67(5) (2011) o192-o194

301,798

2025-08-19

6:44:10

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2,008,044

7.6544

0.0012

15.351

0.003

10.287

0.002

90

null

106.544

0.008

90

null

1,158.7

0.4

153

2

153

2

null

5

P 1 21/n 1

-P 2yn

14

- C26 H14 Cl2 N8 Sn -

- C52 H28 Cl4 N16 Sn2 -

2

0.5

BK1399

Farris, Philip J.; Jacobs, Jude T.; Okonczac, Michael P.; Durfee, William S.; Noll, Bruce C.

trans-Dichloro(hemiporphyrazinato)tin(IV)

Acta Crystallographica Section C

1,999

55

1

32

33

10.1107/S0108270198011408

0.71073

MoKα

0.079

0.046

null

0.12

0.1043

null

0.999

1.042

null

has coordinates

Farris, Philip J.; Jacobs, Jude T.; Okonczac, Michael P.; Durfee, William S.; Noll, Bruce C. trans-Dichloro(hemiporphyrazinato)tin(IV) Acta Crystallographica Section C 55(1) (1999) 32-33

176,759

2020-10-21

18:00:00

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2,008,045

10.273

0.002

11.077

0.002

13.803

0.003

69.43

0.01

68.45

0.01

79.33

0.01

1,364.9

0.5

113

2

113

2

null

6

P -1

-P 1

2

bis(tetraphenylphosphonium) bis(cis-1,2-dicarbomethoxyethylene-1,2-diseleno)- palladate(II)

- C60 H52 O8 P2 Pd Se4 -

1

0.5

BK1405

McLauchlan, Craig C.; Ibers, James A.

[PPh~4~]~2~[Pd{Se~2~C~2~(COOCH~3~)~2~}~2~]

Acta Crystallographica Section C

1,999

55

1

30

32

10.1107/S0108270198010543

0.71073

MoKα

0.0789

0.0414

null

0.0889

null

0.899

null

has coordinates

McLauchlan, Craig C.; Ibers, James A. [PPh~4~]~2~[Pd{Se~2~C~2~(COOCH~3~)~2~}~2~] Acta Crystallographica Section C 55(1) (1999) 30-32

301,791

2025-08-18

23:15:32

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2,008,046

15.894

0.001

13.693

0.002

8.442

0.001

90

null

94.87

0.01

90

null

1,830.7

0.4

296

null

296

null

3

P 1 21/c 1

-P 2ybc

14

3,3',5,5'-tetramethyl-6,6'-dimethoxybiphenyl-2,2'-dimethanol

- C20 H26 O4 -

- C80 H104 O16 -

4

1

BK1410

Dobson, Allison J.; Gerkin, Roger E.

6,6'-Dimethoxy-3,3',5,5'-tetramethylbiphenyl-2,2'-dimethanol

Acta Crystallographica Section C

1,999

55

1

82

84

10.1107/S0108270198009779

0.71073

MoKα

null

0.057

null

0.07

null

1.71

null

has coordinates

Dobson, Allison J.; Gerkin, Roger E. 6,6'-Dimethoxy-3,3',5,5'-tetramethylbiphenyl-2,2'-dimethanol Acta Crystallographica Section C 55(1) (1999) 82-84

301,791

2025-08-18

23:15:32

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2,008,047

30.559

0.003

6.363

0.003

19.744

0.004

90

null

105.82

0.01

90

null

3,693.7

1.9

296

null

296

null

2

C 1 2/c 1

-C 2yc

15

dineopentylprehnitene

- C20 H34 -

- C160 H272 -

8

1

BK1414

Gerkin, Roger E.

Dineopentylprehnitene (1,2,3,4-tetramethyl-5,6-dineopentylbenzene) at 296 and 223K

Acta Crystallographica Section C

1,999

55

1

79

82

10.1107/S010827019801141X

0.71073

MoKα

null

0.086

null

0.112

null

1.54

null

has coordinates

Gerkin, Roger E. Dineopentylprehnitene (1,2,3,4-tetramethyl-5,6-dineopentylbenzene) at 296 and 223K Acta Crystallographica Section C 55(1) (1999) 79-82

301,791

2025-08-18

23:15:32

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2,008,048

30.439

0.002

6.314

0.003

19.663

0.003

90

null

106.06

0.01

90

null

3,631.6

1.8

223

null

223

null

2

C 1 2/c 1

-C 2yc

15

dineopentylprehnitene

- C20 H34 -

- C160 H272 -

8

1

BK1414

Gerkin, Roger E.

Dineopentylprehnitene (1,2,3,4-tetramethyl-5,6-dineopentylbenzene) at 296 and 223K

Acta Crystallographica Section C

1,999

55

1

79

82

10.1107/S010827019801141X

0.71073

MoKα

null

0.072

null

0.107

null

1.8

null

has coordinates

Gerkin, Roger E. Dineopentylprehnitene (1,2,3,4-tetramethyl-5,6-dineopentylbenzene) at 296 and 223K Acta Crystallographica Section C 55(1) (1999) 79-82

301,791

2025-08-18

23:15:32

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/80/2008048.cif $ #-------------------------------------------------------------------...

2,008,049

10.1867

0.001

9.759

0.002

17.7778

0.001

90

0.001

94.009

0.01

90

0.02

1,763

0.4

293

2

293

2

null

3

P 1 21/c 1

-P 2ybc

14

N-H...π (Indole) Intermolecular Interaction in 3,3'-Di Indolyl-Phenyl Methane

- C23 H18 N2 -

- C92 H72 N8 -

4

1

BM1241

R. Krishna; D. Velmurugan; G. Babu; P.T. Perumal

N—H···π(indole) intermolecular interactions in 3,3'-benzylidenediindole

Acta Crystallographica Section C

1,999

55

1

75

78

10.1107/S0108270198010695

1.54178

CuKα

0.0671

0.0532

null

0.1892

0.1618

null

1.039

1.063

null

has coordinates,has Fobs

R. Krishna; D. Velmurugan; G. Babu; P.T. Perumal N—H···π(indole) intermolecular interactions in 3,3'-benzylidenediindole Acta Crystallographica Section C 55(1) (1999) 75-78

301,791

2025-08-18

23:15:32

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/80/2008049.cif $ #-------------------------------------------------------------------...

2,018,052

6.567

0.001

5.0227

0.0007

26.723

0.005

90

null

102.558

0.004

90

null

860.3

0.2

293

2

293

2

null

4

P 1 21/c 1

-P 2ybc

14

(E,E)-N,N'-bis(4-nitrobenzylidene)benzene- 1,4-diamine

- C20 H14 N4 O4 -

- C40 H28 N8 O8 -

2

0.5

BM3102

Collas, Alain; Zeller, Matthias; Blockhuys, Frank

Conformational polymorphism of (E,E)-N,N'-bis(4-nitrobenzylidene)benzene-1,4-diamine

Acta Crystallographica Section C

2,011

67

5

o171

o174

10.1107/S0108270111010109

0.71073

MoKα

0.0677

0.0398

null

0.0927

0.1057

null

1.016

null

has coordinates,has Fobs

Collas, Alain; Zeller, Matthias; Blockhuys, Frank Conformational polymorphism of (E,E)-N,N'-bis(4-nitrobenzylidene)benzene-1,4-diamine Acta Crystallographica Section C 67(5) (2011) o171-o174

301,798

2025-08-19

6:44:10

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2,008,050

23.93

0.002

12.5245

0.0011

11.903

0.002

90

null

90

null

90

null

3,567.5

0.7

293

2

293

2

null

7

P n a 21

P 2c -2n

33

A complex of 4,4,8,8-tetrakis(1-pyrazolyl)pyrazabole and diphenyltin(IV) dichloride monohydrate

- C30 H30 B2 Cl2 N12 O Sn -

- C120 H120 B8 Cl8 N48 O4 Sn4 -

4

1

BM1258

Dey, Dilip Kumar; Das, Mrinal Kanti; Chinnakali, Kandasamy; Fun, Hoong-Kun; Razak, Ibrahim Abdul

An adduct of aquadichlorodiphenyltin(IV) and 4,4,8,8-tetrakis(1-pyrazolyl)pyrazabole

Acta Crystallographica Section C

1,999

55

1

20

22

10.1107/S0108270198009780

0.71073

MoKα

0.068

0.039

null

0.088

0.081

null

0.887

1.01

null

has coordinates

Dey, Dilip Kumar; Das, Mrinal Kanti; Chinnakali, Kandasamy; Fun, Hoong-Kun; Razak, Ibrahim Abdul An adduct of aquadichlorodiphenyltin(IV) and 4,4,8,8-tetrakis(1-pyrazolyl)pyrazabole Acta Crystallographica Section C 55(1) (1999) 20-22

194,546

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-03-27 16:38:39 +0300 (Mon, 27 Mar 2017) $ #$Revision: 194546 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/80/2008050.cif $ #-------------------------------------------------------------------...

2,008,051

8.951

0.002

12.802

0.002

12.879

0.002

107.62

0.01

104.61

0.01

90.31

0.01

1,355.7

0.4

293

2

293

2

null

5

P -1

-P 1

2

- C12 H10 Mo N2 O4 -

- C48 H40 Mo4 N8 O16 -

4

2

BM1268

Mentes, Ayfer; Fawcett, John; Kemmitt, Raymond D. W.; Russell, David R.

Molybdenum‒tetracarbonyl complexes with Schiff base ligands

Acta Crystallographica Section C

1,999

55

1

48

50

10.1107/S0108270198011433

0.71073

MoKα

0.044

0.033

null

0.085

0.079

null

1.071

1.102

null

has coordinates

Mentes, Ayfer; Fawcett, John; Kemmitt, Raymond D. W.; Russell, David R. Molybdenum‒tetracarbonyl complexes with Schiff base ligands Acta Crystallographica Section C 55(1) (1999) 48-50

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/80/2008051.cif $ #-------------------------------------------------------------------...

2,008,052

11.529

0.002

11.879

0.001

12.661

0.004

90

null

96.21

0.01

90

null

1,723.8

0.6

293

2

293

2

null

5

P 1 21/n 1

-P 2yn

14

- C17 H12 Mo N2 O4 -

- C68 H48 Mo4 N8 O16 -

4

1

BM1268

Mentes, Ayfer; Fawcett, John; Kemmitt, Raymond D. W.; Russell, David R.

Molybdenum‒tetracarbonyl complexes with Schiff base ligands

Acta Crystallographica Section C

1,999

55

1

48

50

10.1107/S0108270198011433

0.71073

MoKα

0.044

0.032

null

0.083

0.077

null

1.096

1.137

null

has coordinates

Mentes, Ayfer; Fawcett, John; Kemmitt, Raymond D. W.; Russell, David R. Molybdenum‒tetracarbonyl complexes with Schiff base ligands Acta Crystallographica Section C 55(1) (1999) 48-50

176,432

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176432 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/80/2008052.cif $ #-------------------------------------------------------------------...

2,008,053

8.5887

0.001

8.6404

0.0006

9.6169

0.0006

90

null

98.398

0.007

90

null

706.02

0.11

294

1

294

1

null

4

P 1 21 1

P 2yb

4

N-((R/S)-2-Hydroxy-2-Phenylacetyl)-L-leucine

(2S)-2-{[(2R)-2-hydroxy-2-phenylethanoyl]amino}-4-methylpentanoic acid

- C14 H19 N O4 -

- C28 H38 N2 O8 -

2

1

BM1269

Dalton, John P.; Gallagher, John F.; Kenny, Peter T. M.; O'Donohoe, Michael

Intramolecular N—H···O, intermolecular O—H···O, C—H···O and Csp^3^—H···π~arene~ interactions in (2S)-2-{[(2R)-2-hydroxy-2-phenylethanoyl]amino}-4-methylpentanoic acid

Acta Crystallographica Section C

1,999

55

1

126

129

10.1107/S0108270198010063

0.7107

MolybdenumKα

0.057

0.04

null

0.119

null

1.013

null

has coordinates

Dalton, John P.; Gallagher, John F.; Kenny, Peter T. M.; O'Donohoe, Michael Intramolecular N—H···O, intermolecular O—H···O, C—H···O and Csp^3^—H···π~arene~ interactions in (2S)-2-{[(2R)-2-hydroxy-2-phenylethanoyl]amino}-4-methylpentanoic acid Acta Crystallographica Section C 55(1) (1999) 126-129

301,791

2025-08-18

23:15:32

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/80/2008053.cif $ #-------------------------------------------------------------------...

2,018,051

6.9357

0.0007

7.3036

0.0007

8.8768

0.0008

73.295

0.001

82.707

0.001

88.071

0.001

427.2

0.07

173

2

173

2

null

4

P -1

-P 1

2

(E,E)-N,N'-bis(4-nitrobenzylidene)benzene- 1,4-diamine

- C20 H14 N4 O4 -

1

0.5

BM3102

Collas, Alain; Zeller, Matthias; Blockhuys, Frank

Conformational polymorphism of (E,E)-N,N'-bis(4-nitrobenzylidene)benzene-1,4-diamine

Acta Crystallographica Section C

2,011

67

5

o171

o174

10.1107/S0108270111010109

0.71073

MoKα

0.0496

0.0418

null

0.101

0.106

null

1.08

null

has coordinates,has Fobs

Collas, Alain; Zeller, Matthias; Blockhuys, Frank Conformational polymorphism of (E,E)-N,N'-bis(4-nitrobenzylidene)benzene-1,4-diamine Acta Crystallographica Section C 67(5) (2011) o171-o174

301,798

2025-08-19

6:44:10

#------------------------------------------------------------------------------ #$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/2/01/80/2018051.cif $ #-------------------------------------------------------------------...

2,008,054

9.969

0.004

11.671

0.003

12.706

0.002

63.859

0.013

77.63

0.02

65.257

0.015

1,204.5

0.6

296

2

296

2

null

5

P -1

-P 1

2

- C27 H27 Fe N4 O3 -

- C54 H54 Fe2 N8 O6 -

2

1

BM1273

Ling He; Qing-Fang Shi; Shao-Hua Gou; Ming Qian; Chun-Ying Duan

[N-Salicyl-N,N-bis(salicylidenenitriloethyl)amino]iron(III) acetonitrile solvate

Acta Crystallographica Section C

1,999

55

1

46

47

10.1107/S0108270198010580

0.71073

MoKα

0.0578

0.0447

null

0.1207

0.1116

null

1.045

1.069

null

has coordinates

Ling He; Qing-Fang Shi; Shao-Hua Gou; Ming Qian; Chun-Ying Duan [N-Salicyl-N,N-bis(salicylidenenitriloethyl)amino]iron(III) acetonitrile solvate Acta Crystallographica Section C 55(1) (1999) 46-47

301,791

2025-08-18

23:15:32

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/80/2008054.cif $ #-------------------------------------------------------------------...

2,008,055

7.212

0.002

5.177

0.001

11.498

0.003

90

0.02

93.11

0.02

90

0.03

428.6

0.4

293

null

3

P 1 21/c 1

-P 2ybc

14

- B2 Ca2 O5 -

- B8 Ca8 O20 -

4

1

Lin, Qi-Sheng; Cheng, Wen-Dan; Chen, Jiu-Tong; Huang, Jin-Shun

Calcium pyroborate, Ca~2~B~2~O~5~

Acta Crystallographica Section C

1,999

55

04

06

null

0.0561

null

0.071

null

has coordinates

Lin, Qi-Sheng; Cheng, Wen-Dan; Chen, Jiu-Tong; Huang, Jin-Shun Calcium pyroborate, Ca~2~B~2~O~5~ Acta Crystallographica Section C 55 (1999) 04-06

176,435

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/80/2008055.cif $ #-------------------------------------------------------------------...

2,008,056

9.256

0.003

9.726

0.003

12.073

0.003

90

null

90

null

90

null

1,086.9

0.6

293

2

293

2

null

5

P n m a

-P 2ac 2n

62

- Cl4 K3 N O3 Zn -

- Cl16 K12 N4 O12 Zn4 -

4

0.5

Carter, Robert L.; Zompa, Leverett J.

The Double-Anion Salts M~3~[ZnCl~4~]NO~3~ (M = K^+^ and NH~4~^+^)

Acta Crystallographica Section C

1,999

55

06

08

null

has coordinates

Carter, Robert L.; Zompa, Leverett J. The Double-Anion Salts M~3~[ZnCl~4~]NO~3~ (M = K^+^ and NH~4~^+^) Acta Crystallographica Section C 55 (1999) 06-08

130,149

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/80/2008056.cif $ #-------------------------------------------------------------------...

2,008,057

9.268

0.003

10.042

0.003

12.482

0.003

90

null

90

null

90

null

1,161.7

0.6

293

2

293

2

null

5

P n m a

-P 2ac 2n

62

- Cl4 H12 N4 O3 Zn -

- Cl16 H48 N16 O12 Zn4 -

4

0.5

Carter, Robert L.; Zompa, Leverett J.

The Double-Anion Salts M~3~[ZnCl~4~]NO~3~ (M = K^+^ and NH~4~^+^)

Acta Crystallographica Section C

1,999

55

06

08

null

has coordinates

Carter, Robert L.; Zompa, Leverett J. The Double-Anion Salts M~3~[ZnCl~4~]NO~3~ (M = K^+^ and NH~4~^+^) Acta Crystallographica Section C 55 (1999) 06-08

176,435

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/80/2008057.cif $ #-------------------------------------------------------------------...

2,008,058

19.8165

0.0002

11.4468

0.0001

9.9208

0.0001

90

null

109.185

0.0005

90

null

2,125.41

0.04

293

null

293

null

3

C 1 2/m 1

-C 2y

12

- Ba4 O27 Ti12 -

- Ba16 O108 Ti48 -

4

0.5

Currao, Antonio

Ba~4~Ti~12~O~27~: Rietveld refinement using x-ray powder diffraction data

Acta Crystallographica Section C

1,999

55

02

04

null

has coordinates

Currao, Antonio Ba~4~Ti~12~O~27~: Rietveld refinement using x-ray powder diffraction data Acta Crystallographica Section C 55 (1999) 02-04

176,435

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/80/2008058.cif $ #-------------------------------------------------------------------...

2,008,059

11.129

0.001

8.247

0.001

5.5395

0.0003

90

null

100.88

0.01

90

null

499.28

0.08

293

2

293

2

null

5

P 1 21/a 1

-P 2yab

14

Bloedite

- H8 Mg Na2 O12 S2 -

- H16 Mg2 Na4 O24 S4 -

2

0.5

BR1219

Vizcayno, Carmen; Garcia-Gonzalez, M. Teresa

Na~2~Mg(SO~4~)~2~.4H~2~O, the Mg end-member of the bloedite-type of mineral

Acta Crystallographica Section C

1,999

55

1

8

11

10.1107/S0108270198011135

0.7107

MoKα

0.0294

0.0289

null

0.079

0.078

null

1.207

1.201

null

has coordinates,has Fobs

Vizcayno, Carmen; Garcia-Gonzalez, M. Teresa Na~2~Mg(SO~4~)~2~.4H~2~O, the Mg end-member of the bloedite-type of mineral Acta Crystallographica Section C 55(1) (1999) 8-11

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/80/2008059.cif $ #-------------------------------------------------------------------...

2,008,060

9.486

0.001

21.276

0.004

25.266

0.004

90

null

94.92

0.01

90

null

5,080.5

1.4

213

1

null

6

P 1 21/n 1

-P 2yn

14

- C50 H38 Cl2 O11 P2 Ru3 -

- C200 H152 Cl8 O44 P8 Ru12 -

4

1

DA1022

Liu, Jianping; Boyd, Edwin P.; Shore, Sheldon G.

The [Ru~3~(CO)~11~]^2-^ dianion

Acta Crystallographica Section C

1,999

55

1

29

30

10.1107/S010827019800883X

0.71073

MoKα

0.055

0.033

null

0.139

null

0.084

null

1.049

null

has coordinates,has Fobs

Liu, Jianping; Boyd, Edwin P.; Shore, Sheldon G. The [Ru~3~(CO)~11~]^2-^ dianion Acta Crystallographica Section C 55(1) (1999) 29-30

278,322

2022-10-03

12:14:44

#------------------------------------------------------------------------------ #$Date: 2022-10-03 15:14:43 +0300 (Mon, 03 Oct 2022) $ #$Revision: 278322 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/80/2008060.cif $ #-------------------------------------------------------------------...

2,018,050

9.5909

0.0001

9.5909

0.0001

33.2924

0.0009

90

null

90

null

90

null

3,062.41

0.09

100

2

100

2

null

5

P 43 21 2

P 4nw 2abw

96

trans-Dichloridobis(4,8-dimethyl-2-phenyl-2- phosphabicyclo[3.3.1]nonane-κP)platinum(II)

- C32 H46 Cl2 P2 Pt -

- C128 H184 Cl8 P8 Pt4 -

4

0.5

BI3013

Bungu, Peter N.; Kirsten, Leo; Otto, Stefanus

trans-Dichloridobis(4,8-dimethyl-2-phenyl-2-phosphabicyclo[3.3.1]nonane-κP)platinum(II)

Acta Crystallographica Section C

2,011

67

5

m154

m156

10.1107/S0108270111013242

0.71073

MoKα

0.0553

0.042

null

0.0645

0.0674

null

1.146

null

has coordinates,has disorder,has Fobs

Bungu, Peter N.; Kirsten, Leo; Otto, Stefanus trans-Dichloridobis(4,8-dimethyl-2-phenyl-2-phosphabicyclo[3.3.1]nonane-κP)platinum(II) Acta Crystallographica Section C 67(5) (2011) m154-m156

288,505

2023-12-22

15:12:00

#------------------------------------------------------------------------------ #$Date: 2023-12-22 17:07:40 +0200 (Fri, 22 Dec 2023) $ #$Revision: 288505 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/80/2018050.cif $ #-------------------------------------------------------------------...

2,008,061

7.826

0.002

17.069

0.003

11.578

0.002

90

null

93.09

0.03

90

null

1,544.4

0.6

293

2

293

2

null

5

P 1 21/c 1

-P 2ybc

14

Bis(triethanolamine)strontium(II) bis(2,4-dinitrophenolate)

- C24 H36 N6 O16 Sr -

- C48 H72 N12 O32 Sr2 -

2

0.5

DE1079

Poonia, Narinder Singh; Chhabra, Neera; Sheldrick, W. S.; Hundal, Geeta; Obrai, Sangeeta; Hundal, Maninder Singh

Bis(triethanolamine)strontium(II) bis(2,4-dinitrophenolate)

Acta Crystallographica Section C

1,999

55

1

24

26

10.1107/S0108270198010075

0.71073

MoKα

0.136

0.078

null

0.279

0.191

null

1.077

1.109

null

has coordinates

Poonia, Narinder Singh; Chhabra, Neera; Sheldrick, W. S.; Hundal, Geeta; Obrai, Sangeeta; Hundal, Maninder Singh Bis(triethanolamine)strontium(II) bis(2,4-dinitrophenolate) Acta Crystallographica Section C 55(1) (1999) 24-26

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/80/2008061.cif $ #-------------------------------------------------------------------...

2,008,062

8.736

0.002

9.655

0.002

18.773

0.004

99.79

0.03

95.9

0.03

102.93

0.03

1,504.4

0.6

293

2

293

2

null

5

P -1

-P 1

2

2,5,8,11,14-pentaoxapentadecanecalcium(II) (2,4,6-trinitrophenolate)

- C22 H26 Ca N6 O19 -

- C44 H52 Ca2 N12 O38 -

2

1

DE1081

Poonia, Narinder Singh; Hundal,Geeta; Obrai, Sangeeta; Hundal, Maninder Singh

(2,5,8,11,14-Pentaoxapentadecane-κ^5^O)bis(2,4,6-trinitrophenolato-O^1^,O^2^)calcium(II)

Acta Crystallographica Section C

1,999

55

1

26

28

10.1107/S0108270198005721

0.71073

MoKα

0.1

0.061

null

0.187

0.152

null

1.047

1.129

null

has coordinates

Poonia, Narinder Singh; Hundal,Geeta; Obrai, Sangeeta; Hundal, Maninder Singh (2,5,8,11,14-Pentaoxapentadecane-κ^5^O)bis(2,4,6-trinitrophenolato-O^1^,O^2^)calcium(II) Acta Crystallographica Section C 55(1) (1999) 26-28

201,955

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-10-13 03:08:28 +0300 (Fri, 13 Oct 2017) $ #$Revision: 201955 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/80/2008062.cif $ #-------------------------------------------------------------------...

2,008,063

11.834

0.002

12.159

0.004

12.438

0.004

90

null

112.77

0.02

90

null

1,650.2

0.8

293

2

293

2

null

5

P 1 21/c 1

-P 2ybc

14

(2,2'-biphenoxy)(cyclohexylamino)phosphate

2,2'-Biphenyl (Cyclohexylamino)phosphonate

- C18 H20 N O3 P -

- C72 H80 N4 O12 P4 -

4

1

DE1092

Muthaiah, C.; Kumara Swamy, K. C.

2,2'-Biphenyl (cyclohexylamino)phosphonate: a hydrogen-bonded dimer

Acta Crystallographica Section C

1,999

55

1

110

112

10.1107/S0108270198010087

0.71073

MoKα

0.064

0.044

null

0.148

null

1.08

null

has coordinates

Muthaiah, C.; Kumara Swamy, K. C. 2,2'-Biphenyl (cyclohexylamino)phosphonate: a hydrogen-bonded dimer Acta Crystallographica Section C 55(1) (1999) 110-112

301,791

2025-08-18

23:15:32

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/80/2008063.cif $ #-------------------------------------------------------------------...

2,008,064

12.0436

0.0009

9.187

0.0005

18.7995

0.001

90

null

93.128

0.008

90

null

2,077

0.2

173

2

173

2

null

5

P 1 21/n 1

-P 2yn

14

1,1'-Diiodo-3,3'-bis(trimethylsilyl)ferrocene

- C16 H24 Fe I2 Si2 -

- C64 H96 Fe4 I8 Si8 -

4

1

FG1467

Foucher, Daniel A.; Lough, Alan J.; Park, Peter

1,1'-Diiodo-3,3'-bis(trimethylsilyl)ferrocene

Acta Crystallographica Section C

1,999

55

1

33

35

10.1107/S0108270198009792

0.71073

MoKα

0.056

0.038

null

0.098

0.092

null

0.922

1.021

null

has coordinates,has Fobs

Foucher, Daniel A.; Lough, Alan J.; Park, Peter 1,1'-Diiodo-3,3'-bis(trimethylsilyl)ferrocene Acta Crystallographica Section C 55(1) (1999) 33-35

176,435

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/80/2008064.cif $ #-------------------------------------------------------------------...

2,008,065

6.29

0.002

7.04

0.003

27.479

0.004

90

null

100.83

0.03

90

null

1,195.1

0.7

296

null

296

null

5

P 1 21/c 1

-P 2ybc

14

- C16 H26 Mn O12 S2 -

- C32 H52 Mn2 O24 S4 -

2

0.5

FG1487

Melvin A. Leonard; Philip J. Squattrito; Surendra N. Dubey

Hexaaquametal(II) 4-styrenesulfonates of manganese, cobalt and nickel

Acta Crystallographica Section C

1,999

55

1

35

39

10.1107/S0108270198010105

0.7107

MoKα

null

0.083

null

0.091

null

1.48

null

has coordinates

Melvin A. Leonard; Philip J. Squattrito; Surendra N. Dubey Hexaaquametal(II) 4-styrenesulfonates of manganese, cobalt and nickel Acta Crystallographica Section C 55(1) (1999) 35-39

301,791

2025-08-18

23:15:32

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/80/2008065.cif $ #-------------------------------------------------------------------...

2,008,066

6.298

0.002

6.987

0.003

27.309

0.004

90

null

100.86

0.04

90

null

1,180.2

0.7

296

null

296

null

5

P 1 21/c 1

-P 2ybc

14

- C16 H26 Co O12 S2 -

- C32 H52 Co2 O24 S4 -

2

0.5

FG1487

Melvin A. Leonard; Philip J. Squattrito; Surendra N. Dubey

Hexaaquametal(II) 4-styrenesulfonates of manganese, cobalt and nickel

Acta Crystallographica Section C

1,999

55

1

35

39

10.1107/S0108270198010105

0.7107

MoKα

null

0.068

null

0.088

null

1.93

null

has coordinates

Melvin A. Leonard; Philip J. Squattrito; Surendra N. Dubey Hexaaquametal(II) 4-styrenesulfonates of manganese, cobalt and nickel Acta Crystallographica Section C 55(1) (1999) 35-39

301,791

2025-08-18

23:15:32

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/80/2008066.cif $ #-------------------------------------------------------------------...

2,008,067

6.292

0.002

6.934

0.005

27.315

0.005

90

null

100.68

0.04

90

null

1,171.1

1

296

null

296

null

5

P 1 21/c 1

-P 2ybc

14

- C16 H26 Ni O12 S2 -

- C32 H52 Ni2 O24 S4 -

2

0.5

FG1487

Melvin A. Leonard; Philip J. Squattrito; Surendra N. Dubey

Hexaaquametal(II) 4-styrenesulfonates of manganese, cobalt and nickel

Acta Crystallographica Section C

1,999

55

1

35

39

10.1107/S0108270198010105

0.7107

MoKα

null

0.081

null

0.104

null

2.27

null

has coordinates

Melvin A. Leonard; Philip J. Squattrito; Surendra N. Dubey Hexaaquametal(II) 4-styrenesulfonates of manganese, cobalt and nickel Acta Crystallographica Section C 55(1) (1999) 35-39

301,791

2025-08-18

23:15:32

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/80/2008067.cif $ #-------------------------------------------------------------------...

2,018,049

17.8602

0.001

18.8742

0.001

20.6188

0.001

90

null

90.343

0.005

90

null

6,950.4

0.6

150

2

150

2

null

6

P 1 21/n 1

-P 2yn

14

tetraethylammonium [hydrogen tris(3,5-dimethylpyrazolyl)borato]di-μ~2~-sulfido-disulfido(η^2^- tetrasulfido)ditungsten(V)

- C23 H42 B N7 S8 W2 -

- C184 H336 B8 N56 S64 W16 -

8

2

BI3009

Beheshti, Azizolla; Clegg, William; Ebrahimi Filoori, Nahid; Russo, Luca

Two polymorphs of tetraethylammonium [hydrogen tris(3,5-dimethylpyrazolyl)borato]di-μ~2~-sulfido-disulfido(η^2^-tetrasulfido)ditungsten(V) with Z' = 1 and 2

Acta Crystallographica Section C

2,011

67

5

m149

m153

10.1107/S0108270111013035

0.71073

MoKα

0.1375

0.0662

null

0.1475

0.1711

null

0.972

null

has coordinates,has Fobs

Beheshti, Azizolla; Clegg, William; Ebrahimi Filoori, Nahid; Russo, Luca Two polymorphs of tetraethylammonium [hydrogen tris(3,5-dimethylpyrazolyl)borato]di-μ~2~-sulfido-disulfido(η^2^-tetrasulfido)ditungsten(V) with Z' = 1 and 2 Acta Crystallographica Section C 67(5) (2011) m149-m153

288,505

2023-12-22

15:12:00

#------------------------------------------------------------------------------ #$Date: 2023-12-22 17:07:40 +0200 (Fri, 22 Dec 2023) $ #$Revision: 288505 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/80/2018049.cif $ #-------------------------------------------------------------------...

2,008,068

11.9156

0.0012

12.7033

0.0019

11.9651

0.0017

90

null

100.415

0.01

90

null

1,781.3

0.4

293

1

293

1

null

4

P 1 21 1

P 2yb

4

Pseudaconitine

[1α,6α,14α(E),16β]-20-Ethyl-1,6,16-trimethoxy-4-methoxymethyl-3,13- dihydroxyaconitane-8,14-diyl 8-acetate 14-(3',4'-dimethoxybenzoate)

- C36 H51 N O12 -

- C72 H102 N2 O24 -

2

1

FG1489

Parvez, Masood; Gul, Waseem; Atta-ur-Rahman; Choudhary, M. Iqbal; Nasreen, Amber; Fatima, Nuzhat

Pseudaconitine

Acta Crystallographica Section C

1,999

55

1

72

74

10.1107/S0108270198010129

1.54178

CuKα

0.069

0.057

null

0.161

null

1.044

null

has coordinates,has disorder

Parvez, Masood; Gul, Waseem; Atta-ur-Rahman; Choudhary, M. Iqbal; Nasreen, Amber; Fatima, Nuzhat Pseudaconitine Acta Crystallographica Section C 55(1) (1999) 72-74

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/80/2008068.cif $ #-------------------------------------------------------------------...