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

2,009,144

5.826

0.001

17.925

0.004

17.949

0.004

90

null

90

null

90

null

1,874.4

0.7

293

2

293

2

null

5

P 21 21 21

P 2ac 2ab

19

- C8 H24 Cl5 N2 Sb -

- C32 H96 Cl20 N8 Sb4 -

4

1

KA1330

Bujak, Maciej; Zaleski, Jacek

Phase transition in bis(ethyldimethylammonium) pentachloroantimonate(III)

Acta Crystallographica Section C

1,999

55

11

1775

1778

10.1107/S0108270199009464

0.71073

MoKα

0.04

0.03

null

0.079

null

1.121

null

has coordinates,has disorder

Bujak, Maciej; Zaleski, Jacek Phase transition in bis(ethyldimethylammonium) pentachloroantimonate(III) Acta Crystallographica Section C 55(11) (1999) 1775-1778

176,759

2020-10-21

18:00:00

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2,009,145

7.5598

0.0001

15.5263

0.0002

13.0732

0.0002

90

null

98.1394

0.001

90

null

1,519.02

0.04

293

2

293

2

null

4

P 1 21/c 1

-P 2ybc

14

3-(2-hydroxyphenyl)-1-(2,4-dinitrophenyl)-4-methyl-1H-pyrazole.

- C16 H12 N4 O5 -

- C64 H48 N16 O20 -

4

1

KA1331

Jeyakanthan, J.; Velmurugan, D.; Selvi, S.; Perumal, P. T

1-(2,4-Dinitrophenyl)-3-(2-hydroxyphenyl)-4-methyl-1H-pyrazole

Acta Crystallographica Section C

1,999

55

11

1926

1928

10.1107/S0108270199008276

1.5418

CuKα

0.0777

0.0524

null

0.2397

null

1.094

null

has coordinates,has Fobs

Jeyakanthan, J.; Velmurugan, D.; Selvi, S.; Perumal, P. T 1-(2,4-Dinitrophenyl)-3-(2-hydroxyphenyl)-4-methyl-1H-pyrazole Acta Crystallographica Section C 55(11) (1999) 1926-1928

301,791

2025-08-18

23:15:33

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2,009,146

7.242

0.0014

10.862

0.002

14.2846

0.0016

90

null

90

null

90

null

1,123.7

0.3

293

2

293

2

null

4

P 21 21 21

P 2ac 2ab

19

8-Aza-7-deaza-2'-deoxyadenosine

- C10 H13 N5 O3 -

- C40 H52 N20 O12 -

4

1

KA1335

Seela, Frank; Zulauf, Matthias; Reuter, Hans; Kastner, Guido

The anomers of 8-aza-7-deaza-2'-deoxyadenosine

Acta Crystallographica Section C

1,999

55

11

1947

1950

10.1107/S010827019901015X

0.71073

MoKα

0.035

0.033

null

0.088

null

1.065

null

has coordinates,has Fobs

Seela, Frank; Zulauf, Matthias; Reuter, Hans; Kastner, Guido The anomers of 8-aza-7-deaza-2'-deoxyadenosine Acta Crystallographica Section C 55(11) (1999) 1947-1950

301,791

2025-08-18

23:15:33

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2,009,147

5.869

0.0006

10.8869

0.0013

17.5477

0.0014

90

null

90

null

90

null

1,121.2

0.2

293

2

293

2

null

4

P 21 21 21

P 2ac 2ab

19

9-(2'-deoxy-α-D-erythro-pentofuranosyl)-8-aza-7-deazaadenine

- C10 H13 N5 O3 -

- C40 H52 N20 O12 -

4

1

KA1335

Seela, Frank; Zulauf, Matthias; Reuter, Hans; Kastner, Guido

The anomers of 8-aza-7-deaza-2'-deoxyadenosine

Acta Crystallographica Section C

1,999

55

11

1947

1950

10.1107/S010827019901015X

0.71073

MoKα

0.046

0.041

null

0.11

null

1.065

null

has coordinates,has Fobs

Seela, Frank; Zulauf, Matthias; Reuter, Hans; Kastner, Guido The anomers of 8-aza-7-deaza-2'-deoxyadenosine Acta Crystallographica Section C 55(11) (1999) 1947-1950

301,791

2025-08-18

23:15:33

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2,009,148

18.864

0.008

14.476

0.004

5.473

0.001

90

null

90

null

90

null

1,494.5

0.8

293

2

293

2

null

4

P 21 21 2

P 2 2ab

18

Carpaine

- C28 H50 N2 O4 -

- C56 H100 N4 O8 -

2

0.5

NA1417

V.Kabaleeswaran; S.S.Rajan; G.N.Krishnakumari; T.R.Govindachari

Conformational flexibility of carpaine and its hydrobromide derivative

Acta Crystallographica Section C

1,999

55

11

1935

1937

10.1107/S0108270199008938

1.5418

CuKα

0.0462

0.0413

null

0.1363

null

1.438

null

has coordinates

V.Kabaleeswaran; S.S.Rajan; G.N.Krishnakumari; T.R.Govindachari Conformational flexibility of carpaine and its hydrobromide derivative Acta Crystallographica Section C 55(11) (1999) 1935-1937

301,791

2025-08-18

23:15:33

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2,009,149

11.96

0.001

7.403

0.001

18.978

0.001

90

0.01

99.67

0.01

90

0.01

1,656.4

0.3

293

2

293

2

null

5

P 1 21 1

P 2yb

4

Carpaine hydrobromide

- C28 H54 Br2 N2 O5 -

- C56 H108 Br4 N4 O10 -

2

1

NA1417

V.Kabaleeswaran; S.S.Rajan; G.N.Krishnakumari; T.R.Govindachari

Conformational flexibility of carpaine and its hydrobromide derivative

Acta Crystallographica Section C

1,999

55

11

1935

1937

10.1107/S0108270199008938

1.5418

CuKα

0.0536

0.0359

null

0.0908

null

1.101

null

has coordinates

V.Kabaleeswaran; S.S.Rajan; G.N.Krishnakumari; T.R.Govindachari Conformational flexibility of carpaine and its hydrobromide derivative Acta Crystallographica Section C 55(11) (1999) 1935-1937

301,791

2025-08-18

23:15:33

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4,321,870

11.967

0.003

18.004

0.002

8.74

0.002

102.31

0.01

109.32

0.01

82.08

0.01

1,731.5

0.6

294

2

294

2

null

7

P -1

-P 1

2

- C50 H64 B2 Cl12 Mo2 N14 O6 -

1

0.5

Ferida S. McQuillan; Hongli Chen; Thomas A. Hamor; Christopher J. Jones; Helen A. Jones; R. Peter Sidebotham

Stereoselectivity in the Formation of Metallomacrocycles from [Mo(NO){HB(3,5-Me2C3HN2)3}I2] and Ditopic Proligands: The X-ray Crystal Structures of anti-[[Mo(NO){HB(3,5-Me2C3HN2)3}{1,4-(OCH2)2C6H4}]2.4CHCl3, syn-[Mo(NO){HB(3,5-Me2C3HN2)3}{1,4-(OCH2)2C6H4}]2.2CH2Cl2, and anti-[Mo(NO){HB(3,5-Me2C3HN2)3}{(4-OC6H4)2CH2}]2....

Inorganic Chemistry

1,999

38

1555

1562

10.1021/ic981010s

0.7107

MoKa

0.0579

0.0522

null

0.1699

0.1606

null

0.743

0.729

null

has coordinates

Ferida S. McQuillan; Hongli Chen; Thomas A. Hamor; Christopher J. Jones; Helen A. Jones; R. Peter Sidebotham Stereoselectivity in the Formation of Metallomacrocycles from [Mo(NO){HB(3,5-Me2C3HN2)3}I2] and Ditopic Proligands: The X-ray Crystal Structures of anti-[[Mo(NO){HB(3,5-Me2C3HN2)3}{1,4-(OCH2)2C6H4}]2.4CHCl3, syn...

301,838

2025-08-20

22:17:36

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2,009,150

13.4224

0.0001

11.1181

0.0001

7.5341

0.0006

90

null

97.761

0.003

90

null

1,114.03

0.09

293

2

293

2

null

4

C 1 2/c 1

-C 2yc

15

N,N'-Bis(picolinoyl)hydrazine

- C12 H10 N4 O2 -

- C48 H40 N16 O8 -

4

0.5

NA1420

Sichang Shao; Dunru Zhu; You Song; Xiao Zeng You; S. Shanmuga Sundara Raj; Hoong-Kun Fun

N,N'-Bis(picolinoyl)hydrazine

Acta Crystallographica Section C

1,999

55

11

1841

1843

10.1107/S0108270199009890

0.71073

MoKα

0.072

0.052

null

0.146

null

1.042

null

has coordinates

Sichang Shao; Dunru Zhu; You Song; Xiao Zeng You; S. Shanmuga Sundara Raj; Hoong-Kun Fun N,N'-Bis(picolinoyl)hydrazine Acta Crystallographica Section C 55(11) (1999) 1841-1843

301,791

2025-08-18

23:15:33

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2,009,151

9.341

0.0001

9.8782

0.0001

12.4671

0.0002

87.427

0.001

88.548

0.001

88.604

0.001

1,148.53

0.03

293

2

293

2

null

5

P -1

-P 1

2

4-Chloro-2-(n-morpholinomethyl)-1-phenol

- C11 H14 Cl N O2 -

- C44 H56 Cl4 N4 O8 -

4

2

NA1421

Hoong-Kun Fun; S. Shanmuga Sundara Raj; Kandasamy Chinnakali; Jing-Zhi Tian; Zhen Shen; Jin-Qi Zhang; Xiao-Zeng You

4-Chloro-2-(morpholinomethyl)phenol

Acta Crystallographica Section C

1,999

55

11

1843

1845

10.1107/S0108270199009907

0.71073

MoKα

0.154

0.065

null

0.205

null

1.007

null

has coordinates

Hoong-Kun Fun; S. Shanmuga Sundara Raj; Kandasamy Chinnakali; Jing-Zhi Tian; Zhen Shen; Jin-Qi Zhang; Xiao-Zeng You 4-Chloro-2-(morpholinomethyl)phenol Acta Crystallographica Section C 55(11) (1999) 1843-1845

301,791

2025-08-18

23:15:33

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2,009,152

12.783

0.004

16.645

0.003

9.834

0.003

90

null

90

null

90

null

2,092.4

1

298

null

298

null

5

P 21 21 21

P 2ac 2ab

19

endo-{6,6'-Diethoxy-2,2'-[(R)-propane-1,2-diylbis(nitrilomethylidene)] diphenolato-O,N,N',O'}oxovanadium(IV)

- C21 H24 N2 O5 V -

- C84 H96 N8 O20 V4 -

4

1

OA1089

Hoshina, Gakuse; Tsuchimoto, Masanobu; Ohba, Shigeru

endo-{6,6'-Diethoxy-2,2'-[(R)-propane-1,2-diylbis(nitrilomethylidene)]diphenolato-O,N,N',O'}oxovanadium(IV)

Acta Crystallographica Section C

1,999

55

11

1812

1813

10.1107/S0108270199008847

0.71073

MoKα

0.067

0.048

null

0.12

null

1.25

null

has coordinates

Hoshina, Gakuse; Tsuchimoto, Masanobu; Ohba, Shigeru endo-{6,6'-Diethoxy-2,2'-[(R)-propane-1,2-diylbis(nitrilomethylidene)]diphenolato-O,N,N',O'}oxovanadium(IV) Acta Crystallographica Section C 55(11) (1999) 1812-1813

301,791

2025-08-18

23:15:33

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2,009,153

7.419

0.002

7.419

null

19.935

0.004

90

null

90

null

90

null

1,097.3

0.4

293

null

293

null

5

I 41 2 2

I 4bw 2bw

98

Dichlorobis(pyrimidine)cobalt(II)

- C8 H8 Cl2 Co N4 -

- C32 H32 Cl8 Co4 N16 -

4

0.25

OA1090

Hashizume, Daisuke; Takayama, Ryo; Nakayama, Kensuke; Ishida, Takayuki; Nogami, Takashi; Yasui, Masanori; Iwasaki, Fujiko

Dichlorobis(pyrimidine-N)cobalt(II) and its bromo derivative

Acta Crystallographica Section C

1,999

55

11

1793

1797

10.1107/S0108270199009221

0.71073

MoKα

0.042

0.031

null

0.0735

null

1.025

null

has coordinates

Hashizume, Daisuke; Takayama, Ryo; Nakayama, Kensuke; Ishida, Takayuki; Nogami, Takashi; Yasui, Masanori; Iwasaki, Fujiko Dichlorobis(pyrimidine-N)cobalt(II) and its bromo derivative Acta Crystallographica Section C 55(11) (1999) 1793-1797

176,759

2020-10-21

18:00:00

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2,009,154

7.576

0.001

7.576

null

19.889

0.002

90

null

90

null

90

null

1,141.54

0.19

293

null

293

null

5

I 41 2 2

I 4bw 2bw

98

Dibromobis(pyrimidine)cobalt(II)

- C8 H8 Br2 Co N4 -

- C32 H32 Br8 Co4 N16 -

4

0.25

OA1090

Hashizume, Daisuke; Takayama, Ryo; Nakayama, Kensuke; Ishida, Takayuki; Nogami, Takashi; Yasui, Masanori; Iwasaki, Fujiko

Dichlorobis(pyrimidine-N)cobalt(II) and its bromo derivative

Acta Crystallographica Section C

1,999

55

11

1793

1797

10.1107/S0108270199009221

0.71073

MoKα

0.0636

0.051

null

0.1398

null

1.037

null

has coordinates

Hashizume, Daisuke; Takayama, Ryo; Nakayama, Kensuke; Ishida, Takayuki; Nogami, Takashi; Yasui, Masanori; Iwasaki, Fujiko Dichlorobis(pyrimidine-N)cobalt(II) and its bromo derivative Acta Crystallographica Section C 55(11) (1999) 1793-1797

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/2/00/91/2009154.cif $ #-------------------------------------------------------------------...

2,009,155

7.357

0.002

15.528

0.002

15.137

0.002

90

null

94.68

0.02

90

null

1,723.5

0.6

293.2

null

293.2

null

6

P 1 21/n 1

-P 2yn

14

- C14 H20 Cl2 N4 O2 Pt -

- C56 H80 Cl8 N16 O8 Pt4 -

4

1

OA1091

Kato, Masako; Takahashi, Junko

Anion-controlled π-stacks of (ethylenediamine-N,N')(1,10-phenanthroline-N,N')platinum(II)

Acta Crystallographica Section C

1,999

55

11

1809

1812

10.1107/S0108270199008859

0.7107

MoKα

0.041

0.026

null

0.08

null

0.08

null

0.929

null

0.929

null

has coordinates

Kato, Masako; Takahashi, Junko Anion-controlled π-stacks of (ethylenediamine-N,N')(1,10-phenanthroline-N,N')platinum(II) Acta Crystallographica Section C 55(11) (1999) 1809-1812

301,791

2025-08-18

23:15:33

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2,009,156

7.483

0.004

15.061

0.004

18.836

0.005

90

null

99.7

0.04

90

null

2,092.5

1.4

295.2

null

295.2

null

6

P 1 21/a 1

-P 2yab

14

- C14 H16 F12 N4 P2 Pt -

- C56 H64 F48 N16 P8 Pt4 -

4

1

OA1091

Kato, Masako; Takahashi, Junko

Anion-controlled π-stacks of (ethylenediamine-N,N')(1,10-phenanthroline-N,N')platinum(II)

Acta Crystallographica Section C

1,999

55

11

1809

1812

10.1107/S0108270199008859

0.7107

MoKα

0.061

0.046

null

0.669

null

0.127

null

5.962

null

1.306

null

has coordinates

Kato, Masako; Takahashi, Junko Anion-controlled π-stacks of (ethylenediamine-N,N')(1,10-phenanthroline-N,N')platinum(II) Acta Crystallographica Section C 55(11) (1999) 1809-1812

301,791

2025-08-18

23:15:33

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4,321,869

23.296

0.005

10.566

0.002

22.327

0.004

90

null

93.73

0.03

90

null

5,484

1.9

293

2

293

2

null

6

C 1 2/c 1

-C 2yc

15

- C16 H33 Cl N12 O9 Pt -

- C16 H27 Cl N12 O9 Pt -

- C128 H216 Cl8 N96 O72 Pt8 -

8

1

Roland K. O. Sigel; Michal Sabat; Eva Freisinger; Amanda Mower; Bernhard Lippert

Metal-Modified Base Pairs Involving Different Donor Sites of Purine Nucleobases: trans-[a2Pt(7,9-DimeG-N1)(9-EtGH-N7)]2+ and trans-[a2Pt(7,9-DimeG-N1)(9-EtG-N7)]+ (a = NH3 or CH3NH2; 9-EtGH = 9-Ethylguanine; 7,9-DimeG = 7,9-Dimethylguanine). Possible Relevance to Metalated DNA Triplex Structures

Inorganic Chemistry

1,999

38

1481

1490

10.1021/ic981005o

0.71069

MoKα

0.1318

0.0472

null

0.0723

0.0563

null

0.792

1.027

null

has coordinates

Roland K. O. Sigel; Michal Sabat; Eva Freisinger; Amanda Mower; Bernhard Lippert Metal-Modified Base Pairs Involving Different Donor Sites of Purine Nucleobases: trans-[a2Pt(7,9-DimeG-N1)(9-EtGH-N7)]2+ and trans-[a2Pt(7,9-DimeG-N1)(9-EtG-N7)]+ (a = NH3 or CH3NH2; 9-EtGH = 9-Ethylguanine; 7,9-DimeG = 7,9-Dimethylguanine...

179,321

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:18:08 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179321 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/18/4321869.cif $ #-------------------------------------------------------------------...

2,009,157

10.8176

0.0018

9.7701

0.0013

15.242

0.003

90

null

108.832

0.018

90

null

1,524.7

0.5

293

2

293

2

null

6

P 1 21 1

P 2yb

4

N-[phenyl(2,4,6-tri-tert-butylphenyl)selenonio]-4-toluenesulfonamidate

- C31 H41 N O2 S Se -

- C62 H82 N2 O4 S2 Se2 -

2

1

OA1092

Yasui, Masanori; Taka, Hideo; Shimizu, Toshio; Kamigata, Nobumasa; Iwasaki, Fujiko

Absolute configuration of 2,4,6-tri-tert-butyl-diphenylselenonium-N-toluene-4'-sulfonimide

Acta Crystallographica Section C

1,999

55

11

1861

1862

10.1107/S0108270199008860

0.71073

MoKα

0.063

0.039

null

0.105

null

1.033

null

has coordinates

Yasui, Masanori; Taka, Hideo; Shimizu, Toshio; Kamigata, Nobumasa; Iwasaki, Fujiko Absolute configuration of 2,4,6-tri-tert-butyl-diphenylselenonium-N-toluene-4'-sulfonimide Acta Crystallographica Section C 55(11) (1999) 1861-1862

301,791

2025-08-18

23:15:33

#------------------------------------------------------------------------------ #$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/2/00/91/2009157.cif $ #-------------------------------------------------------------------...

2,009,158

13.356

0.005

23.06

0.005

14.719

0.005

90

0.005

90

0.005

90

0.005

4,533

2

296

2

296

2

null

6

P b c a

-P 2ac 2ab

61

- C19 H25 Ca N3 O5 S2 -

- C152 H200 Ca8 N24 O40 S16 -

8

1

OB1014

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

N-(Tropon-2-yl)-1,4,7,10-tetraoxa-13-azacyclopentadecane with calcium thiocyanate

Acta Crystallographica Section C

1,999

55

11

1819

1821

10.1107/S0108270199009300

1.54184

CuKα

0.061

0.04

null

0.117

null

1.04

null

has coordinates,has Fobs

Kubo, Kanji; Yamamoto, Emi; Kato, Nobuo; Mori, Akira N-(Tropon-2-yl)-1,4,7,10-tetraoxa-13-azacyclopentadecane with calcium thiocyanate Acta Crystallographica Section C 55(11) (1999) 1819-1821

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/2/00/91/2009158.cif $ #-------------------------------------------------------------------...

2,009,159

8.296

0.005

6.654

0.002

10.993

0.002

90

null

101.6

0.03

90

null

594.4

0.4

297

null

296

null

5

C 1 2/m 1

-C 2y

12

- C10 H6 Cl2 N2 O4 -

- C20 H12 Cl4 N4 O8 -

2

0.25

OB1016

Ishida, Hiroyuki; Kashino, Setsuo

1:1 Complexes of chloranilic acid with pyrazine and morpholine: one- and two-dimensional hydrogen-bond networks

Acta Crystallographica Section C

1,999

55

11

1923

1926

10.1107/S0108270199009841

0.71073

MoKα

0.039

0.037

null

0.087

null

0.084

null

1.76

null

1.76

null

has coordinates

Ishida, Hiroyuki; Kashino, Setsuo 1:1 Complexes of chloranilic acid with pyrazine and morpholine: one- and two-dimensional hydrogen-bond networks Acta Crystallographica Section C 55(11) (1999) 1923-1926

301,791

2025-08-18

23:15:34

#------------------------------------------------------------------------------ #$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/2/00/91/2009159.cif $ #-------------------------------------------------------------------...

2,009,160

9.222

0.002

9.241

0.004

8.644

0.004

116.26

0.03

113.55

0.03

92.65

0.03

582.9

0.5

300

null

300

null

5

P -1

-P 1

2

- C10 H11 Cl2 N O5 -

- C20 H22 Cl4 N2 O10 -

2

1

OB1016

Ishida, Hiroyuki; Kashino, Setsuo

1:1 Complexes of chloranilic acid with pyrazine and morpholine: one- and two-dimensional hydrogen-bond networks

Acta Crystallographica Section C

1,999

55

11

1923

1926

10.1107/S0108270199009841

0.71073

MoKα

0.046

0.045

null

0.079

null

0.077

null

1.51

null

1.51

null

has coordinates

Ishida, Hiroyuki; Kashino, Setsuo 1:1 Complexes of chloranilic acid with pyrazine and morpholine: one- and two-dimensional hydrogen-bond networks Acta Crystallographica Section C 55(11) (1999) 1923-1926

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/2/00/91/2009160.cif $ #-------------------------------------------------------------------...

2,009,161

13.142

0.01

15.479

0.008

14.712

0.006

90

null

109.83

0.04

90

null

2,815

3

298

null

298

null

5

P 1 21/n 1

-P 2yn

14

Chloro-(meso-tetrapropylporphyrinato)-iron(III)

- C32 H36 Cl Fe N4 -

- C128 H144 Cl4 Fe4 N16 -

4

1

OB1017

Ohgo, Yoshiki; Ikeue, Takahisa; Nakamura, Mikio

Chloro(meso-tetrapropylporphyrinato)iron(III)

Acta Crystallographica Section C

1,999

55

11

1817

1819

10.1107/S0108270199009312

0.71069

MoKα

0.1109

0.052

null

0.208

null

1.11

null

has coordinates

Ohgo, Yoshiki; Ikeue, Takahisa; Nakamura, Mikio Chloro(meso-tetrapropylporphyrinato)iron(III) Acta Crystallographica Section C 55(11) (1999) 1817-1819

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/2/00/91/2009161.cif $ #-------------------------------------------------------------------...

2,009,162

3.3504

0.0003

5.8341

0.0007

12.07

0.005

90

null

90

null

90

null

235.93

0.1

296.2

null

295

null

4

C m c m

-C 2c 2

63

- Fe0.33 In O3.33 Ti0.67 -

- Fe1.32 In4 O13.32 Ti2.68 -

4

0.25

OH1115

Michiue, Yuichi; Brown, Francisco; Kimizuka, Noboru; Watanabe, Mamoru; Orita, Masahiro; Ohta, Hiromichi

Orthorhombic InFe~0.33~Ti~0.67~O~3.33~

Acta Crystallographica Section C

1,999

55

11

1755

1757

10.1107/S0108270199009038

0.7107

MoKα

0.0508

0.0323

null

0.0569

null

0.0569

null

3.957

null

3.957

null

has coordinates

Michiue, Yuichi; Brown, Francisco; Kimizuka, Noboru; Watanabe, Mamoru; Orita, Masahiro; Ohta, Hiromichi Orthorhombic InFe~0.33~Ti~0.67~O~3.33~ Acta Crystallographica Section C 55(11) (1999) 1755-1757

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/2/00/91/2009162.cif $ #-------------------------------------------------------------------...

2,009,163

16.249

0.002

16.3338

0.0012

17.414

0.003

81.362

0.01

87.18

0.012

67.335

0.009

4,216.3

1

293

2

293

2

null

6

P -1

-P 1

2

Tris[3,6-bis(2'-pyridyl)pyridazine-N^1^,N^6^]nickel(II) diperchlorate 0.11-hydrate

- C42 H30.22 Cl2 N12 Ni O8.11 -

- C42 H30.226 Cl2 N12 Ni O8.113 -

- C168 H120.904 Cl8 N48 Ni4 O32.452 -

4

2

OS1057

Jau-Shuenn Wang; Chou-Fu Sheu; Jung-Si Lee

Tris[3,6-bis(2-pyridyl)pyridazine-N^1^,N^6^]nickel(II) diperchlorate 0.11-hydrate

Acta Crystallographica Section C

1,999

55

11

1806

1809

10.1107/S0108270199009087

0.71073

MoKα

0.096

0.057

null

0.168

0.139

null

1.046

1.081

null

has coordinates

Jau-Shuenn Wang; Chou-Fu Sheu; Jung-Si Lee Tris[3,6-bis(2-pyridyl)pyridazine-N^1^,N^6^]nickel(II) diperchlorate 0.11-hydrate Acta Crystallographica Section C 55(11) (1999) 1806-1809

211,159

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2018-09-25 18:49:33 +0300 (Tue, 25 Sep 2018) $ #$Revision: 211159 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/91/2009163.cif $ #-------------------------------------------------------------------...

4,321,868

13.886

0.001

14.698

0.001

13.008

0.003

90

null

90

null

90

null

2,654.9

0.7

103.2

null

103.2

null

6

P c a 21

P 2c -2ac

29

- C16 H28 Cl2 N12 O10 Pt -

- C64 H112 Cl8 N48 O40 Pt4 -

4

1

Roland K. O. Sigel; Michal Sabat; Eva Freisinger; Amanda Mower; Bernhard Lippert

Metal-Modified Base Pairs Involving Different Donor Sites of Purine Nucleobases: trans-[a2Pt(7,9-DimeG-N1)(9-EtGH-N7)]2+ and trans-[a2Pt(7,9-DimeG-N1)(9-EtG-N7)]+ (a = NH3 or CH3NH2; 9-EtGH = 9-Ethylguanine; 7,9-DimeG = 7,9-Dimethylguanine). Possible Relevance to Metalated DNA Triplex Structures

Inorganic Chemistry

1,999

38

1481

1490

10.1021/ic981005o

0.7107

MoKalpha

null

0.0341

null

0.0444

null

1.528

null

has coordinates

Roland K. O. Sigel; Michal Sabat; Eva Freisinger; Amanda Mower; Bernhard Lippert Metal-Modified Base Pairs Involving Different Donor Sites of Purine Nucleobases: trans-[a2Pt(7,9-DimeG-N1)(9-EtGH-N7)]2+ and trans-[a2Pt(7,9-DimeG-N1)(9-EtG-N7)]+ (a = NH3 or CH3NH2; 9-EtGH = 9-Ethylguanine; 7,9-DimeG = 7,9-Dimethylguanine...

301,838

2025-08-20

22:17:36

#------------------------------------------------------------------------------ #$Date: 2025-08-21 01:01:10 +0300 (Thu, 21 Aug 2025) $ #$Revision: 301838 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/18/4321868.cif $ #-------------------------------------------------------------------...

2,009,164

5.4902

0.0007

10.2004

0.0012

12.373

0.003

90

null

100.783

0.014

90

null

680.7

0.2

293

2

293

2

null

5

P 1 21/c 1

-P 2ybc

14

Calcium dibarium bis(hydrogenphosphate) bis(dihydrogenphosphate)

- Ba2 Ca H6 O16 P4 -

- Ba4 Ca2 H12 O32 P8 -

2

0.5

OS1058

Ben Tahar, Lotfi; Smiri, Leila; Driss, Ahmed

Refinement of CaBa~2~(HPO~4~)~2~(H~2~PO~4~)~2~

Acta Crystallographica Section C

1,999

55

11

1757

1759

10.1107/S0108270199009427

0.71073

MoKα

0.032

0.02

null

0.047

null

0.043

null

1.078

null

1.119

null

has coordinates,has Fobs

Ben Tahar, Lotfi; Smiri, Leila; Driss, Ahmed Refinement of CaBa~2~(HPO~4~)~2~(H~2~PO~4~)~2~ Acta Crystallographica Section C 55(11) (1999) 1757-1759

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/2/00/91/2009164.cif $ #-------------------------------------------------------------------...

2,009,165

9.0081

0.001

9.5235

0.001

11.934

0.0013

97.054

0.009

105.34

0.009

106.471

0.009

924.9

0.19

295

null

7

P -1

-P 1

2

- C17 H16 Br2 Cu Hg N2 O2 -

- C34 H32 Br4 Cu2 Hg2 N4 O4 -

2

1

OS1060

Kaynak, F. Betül; Ülkü, Dinçer; Atakol, Orhan; Durmus̨, Sefa

{[μ-Bis(salicylidene)-1,3-propanediaminato]-copper(II)}dibromomercury(II)

Acta Crystallographica Section C

1,999

55

11

1784

1785

10.1107/S0108270199009191

0.71073

MoKα

null

0.024

null

0.032

null

1.14

null

has coordinates

Kaynak, F. Betül; Ülkü, Dinçer; Atakol, Orhan; Durmus̨, Sefa {[μ-Bis(salicylidene)-1,3-propanediaminato]-copper(II)}dibromomercury(II) Acta Crystallographica Section C 55(11) (1999) 1784-1785

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/2/00/91/2009165.cif $ #-------------------------------------------------------------------...

2,009,166

15.502

0.007

10.91

0.004

3.848

0.001

90

null

90

null

90

null

650.8

0.4

293

2

293

2

null

3

P n m a

-P 2ac 2n

62

Niobium heptaoxide chloride

- Cl Nb3 O7 -

- Cl4 Nb12 O28 -

4

0.5

QA0167

Kim, Jongmin; Dong, Yongkwan; Yun, Hoseop

Redetermination of Nb~3~O~7~Cl

Acta Crystallographica Section C

1,999

55

11

IUC9900133

10.1107/S0108270199098601

0.7107

MoKα

0.038

0.037

null

0.0981

null

1.14

null

has coordinates

Kim, Jongmin; Dong, Yongkwan; Yun, Hoseop Redetermination of Nb~3~O~7~Cl Acta Crystallographica Section C 55(11) (1999) IUC9900133

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/2/00/91/2009166.cif $ #-------------------------------------------------------------------...

2,009,167

28.91

0.003

5.519

0.001

8.601

0.002

90

null

95.25

0.01

90

null

1,366.6

0.4

293

2

293

2

null

3

C 1 2/c 1

-C 2yc

15

1,5-Diphenylpentane-2,4-dione

- C17 H16 O2 -

- C68 H64 O8 -

4

0.5

QA0181

Pulkkinen, Juha T.; Ahlgrén, Markku J.

1,5-Diphenylpentane-2,4-dione and 1,5-bis(2-naphthyl)pentane-2,4-dione

Acta Crystallographica Section C

1,999

55

11

IUC9900142

10.1107/S0108270199098546

1.54178

CuKα

0.04

0.035

null

0.098

null

1.071

null

has coordinates

Pulkkinen, Juha T.; Ahlgrén, Markku J. 1,5-Diphenylpentane-2,4-dione and 1,5-bis(2-naphthyl)pentane-2,4-dione Acta Crystallographica Section C 55(11) (1999) IUC9900142

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/2/00/91/2009167.cif $ #-------------------------------------------------------------------...

2,009,168

37.501

0.008

5.805

0.001

8.313

0.002

90

null

90.09

0.03

90

null

1,809.7

0.7

293

2

293

2

null

3

C 1 2/c 1

-C 2yc

15

1,5-Di-(2-naphtyl)pentane-2,4-dione

- C25 H20 O2 -

- C100 H80 O8 -

4

0.5

QA0181

Pulkkinen, Juha T.; Ahlgrén, Markku J.

1,5-Diphenylpentane-2,4-dione and 1,5-bis(2-naphthyl)pentane-2,4-dione

Acta Crystallographica Section C

1,999

55

11

IUC9900142

10.1107/S0108270199098546

0.71073

MoKα

0.0794

0.0441

null

0.0931

null

1.03

null

has coordinates

Pulkkinen, Juha T.; Ahlgrén, Markku J. 1,5-Diphenylpentane-2,4-dione and 1,5-bis(2-naphthyl)pentane-2,4-dione Acta Crystallographica Section C 55(11) (1999) IUC9900142

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/2/00/91/2009168.cif $ #-------------------------------------------------------------------...

2,009,169

14.9099

0.0013

14.9099

0.0013

8.548

0.002

90

null

90

null

90

null

1,900.3

0.5

150

2

150

2

null

5

P 42/n :2

-P 4bc

86

5-Hydroxy-1-phosphabicyclo[3.3.1]nonansulfide

- C8 H15 O P S -

- C64 H120 O8 P8 S8 -

8

1

QA0182

Ziemer, Burkhard; Krauss, Babett

5-Hydroxy-1-phosphabicyclo[3.3.1]nonane P-sulfide

Acta Crystallographica Section C

1,999

55

11

IUC9900143

10.1107/S0108270199098534

0.71073

MoKα

0.021

0.02

null

0.055

0.054

null

1.079

1.083

null

has coordinates

Ziemer, Burkhard; Krauss, Babett 5-Hydroxy-1-phosphabicyclo[3.3.1]nonane P-sulfide Acta Crystallographica Section C 55(11) (1999) IUC9900143

301,791

2025-08-18

23:15:34

#------------------------------------------------------------------------------ #$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/2/00/91/2009169.cif $ #-------------------------------------------------------------------...

2,009,170

13.108

0.003

11.694

0.002

13.41

0.003

90

null

116.71

0.02

90

null

1,836.2

0.7

200

2

200

2

null

4

P 1 21/n 1

-P 2yn

14

cis-1-Phosphabicyclo[4.3.0]nonansulfide

- C8 H15 P S -

- C64 H120 P8 S8 -

8

2

QA0183

Krauss, Babett; Ziemer, Burkhard

cis-1-Phosphabicyclo[4.3.0]nonane P-sulfide

Acta Crystallographica Section C

1,999

55

11

IUC9900148

10.1107/S0108270199098522

0.71073

MoKα

0.058

0.035

null

0.105

0.079

null

0.925

1.062

null

has coordinates

Krauss, Babett; Ziemer, Burkhard cis-1-Phosphabicyclo[4.3.0]nonane P-sulfide Acta Crystallographica Section C 55(11) (1999) IUC9900148

301,791

2025-08-18

23:15:34

#------------------------------------------------------------------------------ #$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/2/00/91/2009170.cif $ #-------------------------------------------------------------------...

2,009,171

12.208

0.0015

8.4399

0.0012

16.375

0.003

90

null

100.429

0.01

90

null

1,659.3

0.4

296

null

296

null

3

P 1 21/c 1

-P 2ybc

14

ap 9-(o-Isopropylphenyl)-9-fluorenol

- C22 H20 O -

- C88 H80 O4 -

4

1

QB0106

Hou, Yuqing; Robinson, Paul D.; Meyers, Cal Y.

ap-9-(o-Isopropylphenyl)-9-fluorenol

Acta Crystallographica Section C

1,999

55

11

IUC9900144

10.1107/S0108270199098510

0.71069

MoKα

0.116

0.036

null

0.114

null

1.001

null

has coordinates

Hou, Yuqing; Robinson, Paul D.; Meyers, Cal Y. ap-9-(o-Isopropylphenyl)-9-fluorenol Acta Crystallographica Section C 55(11) (1999) IUC9900144

301,791

2025-08-18

23:15:34

#------------------------------------------------------------------------------ #$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/2/00/91/2009171.cif $ #-------------------------------------------------------------------...

2,009,172

8.746

0.005

23.837

0.005

9.982

0.005

90

null

125.43

0.03

90

null

1,695.7

1.5

296

null

296

null

3

P 1 21/c 1

-P 2ybc

14

AP-9-(o-isopropylphenyl)-9-fluorenyl Peroxide

- C44 H38 O2 -

- C88 H76 O4 -

2

0.5

QB0107

Robinson, Paul D.; Hou, Yuqing; Meyers, Cal Y.

ap-9-(o-Isopropylphenyl)-9-fluorenyl peroxide

Acta Crystallographica Section C

1,999

55

11

IUC9900147

10.1107/S0108270199098509

0.71069

MoKα

0.137

0.04

null

0.121

null

1.01

null

has coordinates

Robinson, Paul D.; Hou, Yuqing; Meyers, Cal Y. ap-9-(o-Isopropylphenyl)-9-fluorenyl peroxide Acta Crystallographica Section C 55(11) (1999) IUC9900147

301,791

2025-08-18

23:15:34

#------------------------------------------------------------------------------ #$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/2/00/91/2009172.cif $ #-------------------------------------------------------------------...

2,009,173

8.1295

0.0011

13.7607

0.0013

10.0224

0.0019

90

null

107.804

0.01

90

null

1,067.5

0.3

153

2

153

2

null

5

P 1 21 1

P 2yb

4

(+)-(2S,3S,4S,5S,R~S~)-2-{N-[(R)-1-Hydroxy-3-methylbut-2-yl]-4-methylphenyl- sulfonimidoylmethyl}-4-hydroxy-3-methyl-1-azabicyclo[3.3.0]octane

- C21 H34 N2 O3 S -

- C42 H68 N4 O6 S2 -

2

1

QB0109

Heinrich, Timo; Reggelin, Michael; Bats, Jan W.

(+)-(2S,3S,4S,5S,R~S~)-4-Hydroxy-2-{N-[(R)-1-Hydroxy-3-methylbut-2-yl]-4-methylphenylsulfonimidoylmethyl}-3-methyl-1-azabicyclo[3.3.0]octane at 153K

Acta Crystallographica Section C

1,999

55

11

IUC9900131

10.1107/S0108270199098492

0.71073

MoKα

0.0835

0.0633

null

0.1417

null

1.277

null

has coordinates,has Fobs

Heinrich, Timo; Reggelin, Michael; Bats, Jan W. (+)-(2S,3S,4S,5S,R~S~)-4-Hydroxy-2-{N-[(R)-1-Hydroxy-3-methylbut-2-yl]-4-methylphenylsulfonimidoylmethyl}-3-methyl-1-azabicyclo[3.3.0]octane at 153K Acta Crystallographica Section C 55(11) (1999) IUC9900131

301,791

2025-08-18

23:15:34

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4,321,867

13.987

0.003

12.582

0.003

15.613

0.003

90

null

104.61

0.03

90

null

2,658.8

1.1

293

2

293

2

null

6

P 1 21/n 1

-P 2yn

14

- C14 H26 Cl2 N12 O11 Pt -

- C14 H21 Cl2 N12 O11 Pt -

- C56 H84 Cl8 N48 O44 Pt4 -

4

1

Roland K. O. Sigel; Michal Sabat; Eva Freisinger; Amanda Mower; Bernhard Lippert

Metal-Modified Base Pairs Involving Different Donor Sites of Purine Nucleobases: trans-[a2Pt(7,9-DimeG-N1)(9-EtGH-N7)]2+ and trans-[a2Pt(7,9-DimeG-N1)(9-EtG-N7)]+ (a = NH3 or CH3NH2; 9-EtGH = 9-Ethylguanine; 7,9-DimeG = 7,9-Dimethylguanine). Possible Relevance to Metalated DNA Triplex Structures

Inorganic Chemistry

1,999

38

1481

1490

10.1021/ic981005o

0.71069

MoKα

0.0491

0.0332

null

0.0918

0.0821

null

0.961

1.053

null

has coordinates,has disorder

Roland K. O. Sigel; Michal Sabat; Eva Freisinger; Amanda Mower; Bernhard Lippert Metal-Modified Base Pairs Involving Different Donor Sites of Purine Nucleobases: trans-[a2Pt(7,9-DimeG-N1)(9-EtGH-N7)]2+ and trans-[a2Pt(7,9-DimeG-N1)(9-EtG-N7)]+ (a = NH3 or CH3NH2; 9-EtGH = 9-Ethylguanine; 7,9-DimeG = 7,9-Dimethylguanine...

179,321

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:18:08 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179321 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/18/4321867.cif $ #-------------------------------------------------------------------...

2,009,174

9.0144

0.0003

18.0745

0.0004

9.1181

0.0003

90

null

90.548

0.002

90

null

1,485.55

0.08

100

1

100

1

null

3

P 1 21/c 1

-P 2ybc

14

4-Hydroxyisochroman-3-one

- C9 H8 O3 -

- C72 H64 O24 -

8

2

QB0110

Kresge, A. J.; Lough, Alan J.; Popik, V. V.

4-Hydroxyisochroman-3-one

Acta Crystallographica Section C

1,999

55

11

IUC9900138

10.1107/S0108270199098480

0.71073

MoKα

0.064

0.04

null

0.105

null

0.994

null

has coordinates,has Fobs

Kresge, A. J.; Lough, Alan J.; Popik, V. V. 4-Hydroxyisochroman-3-one Acta Crystallographica Section C 55(11) (1999) IUC9900138

301,791

2025-08-18

23:15:34

#------------------------------------------------------------------------------ #$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/2/00/91/2009174.cif $ #-------------------------------------------------------------------...

2,009,175

27.22

0.003

4.1574

0.0006

17.2303

0.0014

90

null

123.817

0.006

90

null

1,620

0.3

100

0.1

100

0.1

null

4

C 1 2/c 1

-C 2yc

15

1,3-Dihydrobenzo[c]thiophene-1-carboxylic Acid

- C9 H8 O2 S -

- C72 H64 O16 S8 -

8

1

QB0112

Kresge, A. J.; Lough, Alan J.; Popik, V. V.

1,3-Dihydrobenzo[c]thiophene-1-carboxylic acid

Acta Crystallographica Section C

1,999

55

11

IUC9900139

10.1107/S0108270199098479

0.71073

MoKα

0.049

0.036

null

0.098

null

1.088

null

has coordinates,has Fobs

Kresge, A. J.; Lough, Alan J.; Popik, V. V. 1,3-Dihydrobenzo[c]thiophene-1-carboxylic acid Acta Crystallographica Section C 55(11) (1999) IUC9900139

301,791

2025-08-18

23:15:34

#------------------------------------------------------------------------------ #$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/2/00/91/2009175.cif $ #-------------------------------------------------------------------...

2,009,176

7.9452

0.0003

3.9485

0.0002

8.7627

0.0004

90

null

102.119

0.003

90

null

268.77

0.02

100

0.1

100

2

null

4

P 1 n 1

P -2yac

7

2-Hydroxy-N-methylcyanoacetamide

- C4 H6 N2 O2 -

- C8 H12 N4 O4 -

2

1

QB0114

Kresge, A. J.; Lough, Alan J.; Popik, V. V.

2-Hydroxy-N-methylcyanoacetamide

Acta Crystallographica Section C

1,999

55

11

IUC9900140

10.1107/S0108270199098467

0.71073

MoKα

0.026

0.024

null

0.061

null

1.066

null

has coordinates,has Fobs

Kresge, A. J.; Lough, Alan J.; Popik, V. V. 2-Hydroxy-N-methylcyanoacetamide Acta Crystallographica Section C 55(11) (1999) IUC9900140

301,791

2025-08-18

23:15:34

#------------------------------------------------------------------------------ #$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/2/00/91/2009176.cif $ #-------------------------------------------------------------------...

2,009,177

7.108

0.001

25.795

0.001

10.69

0.001

90

null

94.88

0.01

90

null

1,952.9

0.3

295

2

295

2

null

4

P 1 21/n 1

-P 2yn

14

(Napthalene-2,3-diolato)(1,3-diphenylpropen-1,3-diolato)boron

- C25 H17 B O4 -

- C100 H68 B4 O16 -

4

1

QB0115

Lim, Hock Chuan; Tou, Teck Yong; Ng, Seik Weng; Huang, You-Qing; Hu, Sheng-Zhi; Rapta, Peter; Chow, Yuan L.; Ishiyama, Jun-Ichi

(1,3-Diphenylpropene-1,3-diolato)(naphthalene-2,3-diolato)boron

Acta Crystallographica Section C

1,999

55

11

IUC9900135

10.1107/S0108270199098455

1.54178

CuKα

0.095

0.06

null

0.18

null

1.014

null

has coordinates

Lim, Hock Chuan; Tou, Teck Yong; Ng, Seik Weng; Huang, You-Qing; Hu, Sheng-Zhi; Rapta, Peter; Chow, Yuan L.; Ishiyama, Jun-Ichi (1,3-Diphenylpropene-1,3-diolato)(naphthalene-2,3-diolato)boron Acta Crystallographica Section C 55(11) (1999) IUC9900135

301,791

2025-08-18

23:15:34

#------------------------------------------------------------------------------ #$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/2/00/91/2009177.cif $ #-------------------------------------------------------------------...

2,009,178

9.986

0.001

14.823

0.002

9.514

0.001

98.24

0.01

91.32

0.01

80.49

0.01

1,374.6

0.3

297

null

3

P 1

1

- C34 H34 O4 -

- C68 H68 O8 -

2

QB0116

Hamazaki, Hiroshi; Hosomi, Hiroyuki; Ohba, Shigeru

A triclinic polymorph of (R,R)-(–)-trans-1,4-dioxaspiro[4,5]decane-2,3-diylbis(diphenylmethanol)

Acta Crystallographica Section C

1,999

55

11

IUC9900132

10.1107/S0108270199098443

0.71073

MoKα

null

0.035

null

0.083

null

1.05

null

has coordinates

Hamazaki, Hiroshi; Hosomi, Hiroyuki; Ohba, Shigeru A triclinic polymorph of (R,R)-(–)-trans-1,4-dioxaspiro[4,5]decane-2,3-diylbis(diphenylmethanol) Acta Crystallographica Section C 55(11) (1999) IUC9900132

301,791

2025-08-18

23:15:34

#------------------------------------------------------------------------------ #$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/2/00/91/2009178.cif $ #-------------------------------------------------------------------...

2,009,179

11.964

0.003

10.021

0.003

25.021

0.006

90

null

94.69

0.02

90

null

2,989.8

1.4

296

2

296

2

null

7

P 1 21/n 1

-P 2yn

14

fac-[aqua-tricarbonyl-(1,2-bis(diphenylphosphino)ethane-P,P')manganese] tetrafluoroborate

- C29 H26 B F4 Mn O4 P2 -

- C116 H104 B4 F16 Mn4 O16 P8 -

4

1

QB0117

Becker, Thomas M.; Krause Bauer, Jeanette A.

fac-Aqua[1,2-bis(diphenylphosphino)ethane-P,P']tricarbonylmanganese tetrafluoroborate (monoclinic form)

Acta Crystallographica Section C

1,999

55

11

IUC9900141

10.1107/S010827019909856X

0.71073

MoKα

0.097

0.054

null

0.279

null

0.126

null

1.059

null

has coordinates,has Fobs

Becker, Thomas M.; Krause Bauer, Jeanette A. fac-Aqua[1,2-bis(diphenylphosphino)ethane-P,P']tricarbonylmanganese tetrafluoroborate (monoclinic form) Acta Crystallographica Section C 55(11) (1999) IUC9900141

201,201

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-09-24 03:16:26 +0300 (Sun, 24 Sep 2017) $ #$Revision: 201201 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/91/2009179.cif $ #-------------------------------------------------------------------...

2,009,180

4.9511

0.001

8.0427

0.0016

8.4362

0.0017

90

null

90

null

90

null

335.93

0.12

293

2

293

2

null

2

I m m a

-I 2b 2

74

- Ag2 Ba -

- Ag8 Ba4 -

4

0.25

QB0118

Kang, Sung Kwon; Miller, Gordon J.

BaAg~2~

Acta Crystallographica Section C

1,999

55

11

IUC9900134

10.1107/S0108270199098595

0.71073

MoKα

0.057

0.037

null

0.074

null

1.277

null

has coordinates

Kang, Sung Kwon; Miller, Gordon J. BaAg~2~ Acta Crystallographica Section C 55(11) (1999) IUC9900134

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/2/00/91/2009180.cif $ #-------------------------------------------------------------------...

2,009,181

10.72

0.002

10.7

0.002

15.35

0.002

90

null

90

null

90

null

1,760.7

0.5

293

2

293

2

null

4

P b c a

-P 2ac 2ab

61

- C9 H6 N2 O4 -

- C72 H48 N16 O32 -

8

1

QB0119

Kovalevsky, A. Yu.; Ponomarev, I. I.

2-Methyl-7-nitro-4H-3,1-benzoxazin-4-one

Acta Crystallographica Section C

1,999

55

11

IUC9900136

10.1107/S0108270199098431

0.71073

MoKα

0.072

0.041

null

0.149

null

0.119

null

1

null

1.195

null

has coordinates,has Fobs

Kovalevsky, A. Yu.; Ponomarev, I. I. 2-Methyl-7-nitro-4H-3,1-benzoxazin-4-one Acta Crystallographica Section C 55(11) (1999) IUC9900136

301,791

2025-08-18

23:15:34

#------------------------------------------------------------------------------ #$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/2/00/91/2009181.cif $ #-------------------------------------------------------------------...

2,009,182

10.8394

0.0006

10.9358

0.0006

12.7335

0.0007

83.858

0.001

66.789

0.001

84.065

0.001

1,376.16

0.13

173

2

173

2

null

6

P -1

-P 1

2

(2,2'-Dipyridyl-N,N')bis(1,1,1- trifluoro-4-phenylbutane-2,4-dionato-O,O')manganese(II)

- C30 H20 F6 Mn N2 O4 -

- C60 H40 F12 Mn2 N4 O8 -

2

1

QB0121

Dickman, Michael H.

(2,2'-Bipyridyl-N,N')bis(4,4,4-trifluoro-1-phenylbutane-1,3-dionato-O,O')manganese(II) at 173K

Acta Crystallographica Section C

1,999

55

11

IUC9900146

10.1107/S0108270199098558

0.71073

MoKα

0.076

0.045

null

0.13

null

1.014

null

has coordinates

Dickman, Michael H. (2,2'-Bipyridyl-N,N')bis(4,4,4-trifluoro-1-phenylbutane-1,3-dionato-O,O')manganese(II) at 173K Acta Crystallographica Section C 55(11) (1999) IUC9900146

301,791

2025-08-18

23:15:34

#------------------------------------------------------------------------------ #$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/2/00/91/2009182.cif $ #-------------------------------------------------------------------...

4,321,866

13.833

0.003

14.357

0.003

13.293

0.003

90

null

90

null

90

null

2,640

1

293

2

293

2

null

6

P c a 21

P 2c -2ac

29

- C14 H26 Cl2 N12 O11 Pt -

- C56 H104 Cl8 N48 O44 Pt4 -

4

1

Roland K. O. Sigel; Michal Sabat; Eva Freisinger; Amanda Mower; Bernhard Lippert

Metal-Modified Base Pairs Involving Different Donor Sites of Purine Nucleobases: trans-[a2Pt(7,9-DimeG-N1)(9-EtGH-N7)]2+ and trans-[a2Pt(7,9-DimeG-N1)(9-EtG-N7)]+ (a = NH3 or CH3NH2; 9-EtGH = 9-Ethylguanine; 7,9-DimeG = 7,9-Dimethylguanine). Possible Relevance to Metalated DNA Triplex Structures

Inorganic Chemistry

1,999

38

1481

1490

10.1021/ic981005o

0.71069

MoKα

0.0425

0.027

null

0.0645

0.0606

null

0.955

1.042

null

has coordinates

Roland K. O. Sigel; Michal Sabat; Eva Freisinger; Amanda Mower; Bernhard Lippert Metal-Modified Base Pairs Involving Different Donor Sites of Purine Nucleobases: trans-[a2Pt(7,9-DimeG-N1)(9-EtGH-N7)]2+ and trans-[a2Pt(7,9-DimeG-N1)(9-EtG-N7)]+ (a = NH3 or CH3NH2; 9-EtGH = 9-Ethylguanine; 7,9-DimeG = 7,9-Dimethylguanine...

179,321

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:18:08 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179321 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/18/4321866.cif $ #-------------------------------------------------------------------...

2,009,183

9.563

0.002

9.563

0.002

23.347

0.005

90

null

90

null

90

null

2,135.1

0.8

150

2

150

2

null

5

I -4 2 d

I -4 2bw

122

Tetrachloro(1,2-dimethoxyethane)titanium(IV)

- C4 H10 Cl4 O2 Ti -

- C32 H80 Cl32 O16 Ti8 -

8

0.5

QB0122

Batsanov, Andrei S.; Howard, Judith A. K.; Hughes, Andrew K.; Kingsley, Andrew J.

Tetrachloro(1,2-dimethoxyethane-O,O')titanium(IV)

Acta Crystallographica Section C

1,999

55

11

IUC9900137

10.1107/S0108270199098571

0.71073

MoKα

0.02

0.019

null

0.052

null

1.016

null

has coordinates

Batsanov, Andrei S.; Howard, Judith A. K.; Hughes, Andrew K.; Kingsley, Andrew J. Tetrachloro(1,2-dimethoxyethane-O,O')titanium(IV) Acta Crystallographica Section C 55(11) (1999) IUC9900137

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/2/00/91/2009183.cif $ #-------------------------------------------------------------------...

2,009,184

8.5812

0.001

9.9084

0.0011

5.8016

0.0009

90

null

105.128

0.01

90

null

476.19

0.11

298

null

298

null

5

P 1 21/c 1

-P 2ybc

14

- H Na2 O5 P Zn -

- H4 Na8 O20 P4 Zn4 -

4

1

QB0123

Ng, Hunt Y.; Harrison, William T. A.

Sodium zinc phosphate hydroxide, Na~2~Zn(OH)PO~4~

Acta Crystallographica Section C

1,999

55

11

IUC9900145

10.1107/S0108270199098583

0.71073

MoKα

null

0.0295

null

0.0307

null

0.997

null

has coordinates

Ng, Hunt Y.; Harrison, William T. A. Sodium zinc phosphate hydroxide, Na~2~Zn(OH)PO~4~ Acta Crystallographica Section C 55(11) (1999) IUC9900145

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/2/00/91/2009184.cif $ #-------------------------------------------------------------------...

2,009,185

6.3618

0.0014

7.5586

0.0012

11.059

0.002

90

null

90

null

90

null

531.79

0.17

293

2

293

2

null

4

P n m a

-P 2ac 2n

62

- F5 H8 N2 Ti -

- F20 H32 N8 Ti4 -

4

0.5

SK1262

Dadachov, Mike; Eriksson, Lars

Diammonium titanium pentafluoride, (NH~4~)~2~TiF~5~, containing Ti^3+^

Acta Crystallographica Section C

1,999

55

11

1739

1741

10.1107/S0108270199008689

0.71073

MoKα

0.0779

0.0333

null

0.0649

null

0.737

null

has coordinates

Dadachov, Mike; Eriksson, Lars Diammonium titanium pentafluoride, (NH~4~)~2~TiF~5~, containing Ti^3+^ Acta Crystallographica Section C 55(11) (1999) 1739-1741

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/2/00/91/2009185.cif $ #-------------------------------------------------------------------...

2,009,186

21.897

0.002

6.8919

0.0005

21.694

0.002

90

null

90.953

0.007

90

null

3,273.4

0.5

293

2

293

2

null

3

C 1 2/c 1

-C 2yc

15

21,22,23,24-Tetraoxaquaterene-2,7,12,17-tetraspirocyclohexane

- C40 H48 O4 -

- C160 H192 O16 -

4

0.5

SK1288

Pajewski, Robert; Pęcak, Agnieszka; Ostaszewski, Ryszard; Jurczak, Janusz

Tetracyclohexyloxaquaterene

Acta Crystallographica Section C

1,999

55

1862

1864

10.1107/S0108270199009099

1.54178

CuKα

0.067

0.051

null

0.146

null

0.135

null

1.154

null

1.154

null

has coordinates

Pajewski, Robert; Pęcak, Agnieszka; Ostaszewski, Ryszard; Jurczak, Janusz Tetracyclohexyloxaquaterene Acta Crystallographica Section C 55 (1999) 1862-1864

301,791

2025-08-18

23:15:34

#------------------------------------------------------------------------------ #$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/2/00/91/2009186.cif $ #-------------------------------------------------------------------...

2,009,187

28.194

0.001

9.5793

0.0004

6.905

0.0003

90

null

90

null

90

null

1,864.89

0.13

293

2

293

2

null

4

P b c n

-P 2n 2ab

60

5-Nitroisophthalic acid hydrate

- C8 H7 N O7 -

- C64 H56 N8 O56 -

8

1

SK1301

Ajit Kumar Mahapatra; Avijit Adak; Shyamaprosad Goswami; Gur Dayal Nigam; Kandasamy Chinnakali; S. Shanmuga Sundara Raj; Ibrahim Abdul Razak; Hoong-Kun Fun

5-Nitroisophthalic acid hydrate

Acta Crystallographica Section C

1,999

55

11

1845

1847

10.1107/S0108270199009105

0.71073

MoKα

0.105

0.056

null

0.127

null

1.03

null

has coordinates

Ajit Kumar Mahapatra; Avijit Adak; Shyamaprosad Goswami; Gur Dayal Nigam; Kandasamy Chinnakali; S. Shanmuga Sundara Raj; Ibrahim Abdul Razak; Hoong-Kun Fun 5-Nitroisophthalic acid hydrate Acta Crystallographica Section C 55(11) (1999) 1845-1847

301,791

2025-08-18

23:15:34

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4,321,865

16.313

0.005

16.553

0.005

17.068

0.006

108.04

0.02

93.13

0.02

100.268

0.018

4,282

2

173

2

173

2

null

5

P -1

-P 1

2

- C80.5 H96.5 Cl7.5 O10 P2 -

- C161 H193 Cl15 O20 P4 -

2

1

Izilda A. Bagatin; Dominique Matt; Holger Thönnessen; Peter G. Jones

Calix[4]arene Ligands with Phosphorus-Containing Groups Tethered at the Upper Rim

Inorganic Chemistry

1,999

38

1585

1591

10.1021/ic980964f

0.71073

MoKα

0.1428

0.0803

null

0.2123

0.2464

null

0.927

null

has coordinates

Izilda A. Bagatin; Dominique Matt; Holger Thönnessen; Peter G. Jones Calix[4]arene Ligands with Phosphorus-Containing Groups Tethered at the Upper Rim Inorganic Chemistry 38 (1999) 1585-1591

176,467

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $ #$Revision: 176467 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/18/4321865.cif $ #-------------------------------------------------------------------...

2,009,188

9.6596

0.0018

7.0354

0.0012

12.436

0.002

90

null

90

null

90

null

845.1

0.3

293

2

293

2

null

3

P n m a

-P 2ac 2n

62

Rubidiumtetrathiomolybdat

dirubidium tetrasulfidomolybdate(2-)

- Mo Rb2 S4 -

- Mo4 Rb8 S16 -

4

0.5

SK1304

Ellermeier, Jan; Näther, Christian; Bensch, Wolfgang

Rb~2~MoS~4~

Acta Crystallographica Section C

1,999

55

11

1748

1751

10.1107/S0108270199008549

0.71073

MoKα

0.048

0.027

null

0.066

null

0.998

null

has coordinates

Ellermeier, Jan; Näther, Christian; Bensch, Wolfgang Rb~2~MoS~4~ Acta Crystallographica Section C 55(11) (1999) 1748-1751

301,791

2025-08-18

23:15:34

#------------------------------------------------------------------------------ #$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/2/00/91/2009188.cif $ #-------------------------------------------------------------------...

2,009,189

19.7378

0.001

5.5717

0.0002

25.6759

0.0011

90

null

128.311

0.003

90

null

2,215.6

0.19

100

0.1

100

0.1

null

5

P 1 21/c 1

-P 2ybc

14

4,4'-Bipyridyl–4,4–thiodiphenol (3/2)

- C54 H44 N6 O4 S2 -

- C108 H88 N12 O8 S4 -

2

0.5

SK1306

Lough, Alan J.; Gregson, Richard M.; Ferguson, George; Glidewell, Christopher

Centrosymmetric molecular strings in the hydrogen-bonded structure of 4,4'-bipyridyl–4,4'-thiodiphenol (3/2)

Acta Crystallographica Section C

1,999

55

11

1890

1892

10.1107/S0108270199008963

0.71073

MoKα

0.0774

0.0405

null

0.1016

null

0.956

null

has coordinates,has Fobs

Lough, Alan J.; Gregson, Richard M.; Ferguson, George; Glidewell, Christopher Centrosymmetric molecular strings in the hydrogen-bonded structure of 4,4'-bipyridyl–4,4'-thiodiphenol (3/2) Acta Crystallographica Section C 55(11) (1999) 1890-1892

301,791

2025-08-18

23:15:34

#------------------------------------------------------------------------------ #$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/2/00/91/2009189.cif $ #-------------------------------------------------------------------...

2,009,190

21.097

0.005

5.356

0.007

26.09

0.004

90

null

107.173

0.013

90

null

2,817

4

173

1

173

1

null

5

C 1 2/c 1

-C 2yc

15

N-phenyl-5-benzylidene-rhodanine

3-phenyl-5-(phenylmethylidene)-2-thioxo-1,3-thiazolidin-4-one

- C16 H11 N O S2 -

- C128 H88 N8 O8 S16 -

8

1

SK1307

Linden, Anthony; Awad, Enas M. A. H.; Heimgartner, Heinz

A rhodanine derivative and its cycloadduct with diphenyl nitrile imine

Acta Crystallographica Section C

1,999

55

11

1877

1881

10.1107/S0108270199008975

0.71069

MoKα

0.0729

0.0481

null

0.1582

null

1.032

null

has coordinates,has Fobs

Linden, Anthony; Awad, Enas M. A. H.; Heimgartner, Heinz A rhodanine derivative and its cycloadduct with diphenyl nitrile imine Acta Crystallographica Section C 55(11) (1999) 1877-1881

301,791

2025-08-18

23:15:34

#------------------------------------------------------------------------------ #$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/2/00/91/2009190.cif $ #-------------------------------------------------------------------...

2,009,191

9.91

0.003

16.737

0.003

14.412

0.002

90

null

93.571

0.017

90

null

2,385.8

0.9

173

1

173

1

null

5

P 1 21/n 1

-P 2yn

14

2,4,9-triphenyl-7-(phenymethylidene)-1,6-dithia-3,4,9- triazaspiro[4.4]non-2-en-8-one

- C29 H21 N3 O S2 -

- C116 H84 N12 O4 S8 -

4

1

SK1307

Linden, Anthony; Awad, Enas M. A. H.; Heimgartner, Heinz

A rhodanine derivative and its cycloadduct with diphenyl nitrile imine

Acta Crystallographica Section C

1,999

55

11

1877

1881

10.1107/S0108270199008975

0.71069

MoKα

0.0747

0.0431

null

0.1152

null

1.035

null

has coordinates,has Fobs

Linden, Anthony; Awad, Enas M. A. H.; Heimgartner, Heinz A rhodanine derivative and its cycloadduct with diphenyl nitrile imine Acta Crystallographica Section C 55(11) (1999) 1877-1881

301,791

2025-08-18

23:15:34

#------------------------------------------------------------------------------ #$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/2/00/91/2009191.cif $ #-------------------------------------------------------------------...

4,321,864

21.41

0.005

7.757

0.002

15.507

0.007

90

null

119.68

0.03

90

null

2,237.5

1.4

293

2

293

2

null

5

C 1 2/c 1

-C 2yc

15

- H4 Mo6 O24 Rb4 Te -

- Mo6 O24 Rb4 Te -

- Mo24 O96 Rb16 Te4 -

4

0.5

Vidyavathy; K. Vidyasagar

Hydrothermal Synthesis and Characterization of Novel One-Dimensional Tellurites of Molybdenum(VI), A4Mo6TeO22.2H2O (A = NH4, Rb)

Inorganic Chemistry

1,999

38

1394

1400

10.1021/ic980957r

0.71073

MoKα

0.0854

0.0496

null

0.1132

0.0926

null

1.158

1.124

null

has coordinates

Vidyavathy; K. Vidyasagar Hydrothermal Synthesis and Characterization of Novel One-Dimensional Tellurites of Molybdenum(VI), A4Mo6TeO22.2H2O (A = NH4, Rb) Inorganic Chemistry 38 (1999) 1394-1400

179,321

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:18:08 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179321 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/18/4321864.cif $ #-------------------------------------------------------------------...

2,009,192

10.7817

0.0003

7.4435

0.0002

15.9041

0.0004

90

null

95.405

0.001

90

null

1,270.69

0.06

293

2

293

2

null

6

P 1 21/c 1

-P 2ybc

14

Di-μ-azido-bis[2-(2-aminoethyl)pyridine-aquo]dicopper(II) diperchlorate

- C14 H24 Cl2 Cu2 N10 O10 -

- C28 H48 Cl4 Cu4 N20 O20 -

2

0.5

SK1311

Ibrahim Abdul Razak; Hoong-Kun Fun; Kandasamy Chinnakali; S. Shanmuga Sundara Raj; Jia-Cheng Liu; Xiao-Zeng You

Di-μ-azido-bis{[2-(2-aminoethyl)pyridine-N,N']aquacopper(II)} diperchlorate

Acta Crystallographica Section C

1,999

55

11

1764

1766

10.1107/S0108270199008987

0.71073

MoKα

0.037

0.03

null

0.082

null

1.1

null

has coordinates

Ibrahim Abdul Razak; Hoong-Kun Fun; Kandasamy Chinnakali; S. Shanmuga Sundara Raj; Jia-Cheng Liu; Xiao-Zeng You Di-μ-azido-bis{[2-(2-aminoethyl)pyridine-N,N']aquacopper(II)} diperchlorate Acta Crystallographica Section C 55(11) (1999) 1764-1766

301,791

2025-08-18

23:15:34

#------------------------------------------------------------------------------ #$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/2/00/91/2009192.cif $ #-------------------------------------------------------------------...

2,009,193

9.877

0.001

4.737

0.001

12.877

0.001

90

null

112.044

0.002

90

null

558.44

0.14

298

2

298

2

null

5

P 1 21/a 1

-P 2yab

14

DL-cysteine

- C3 H7 N O2 S -

- C12 H28 N4 O8 S4 -

4

1

SK1312

Luger, Peter; Weber, Manuela

DL-Cysteine at 298K

Acta Crystallographica Section C

1,999

55

11

1882

1885

10.1107/S0108270199009208

0.71073

MoKα

0.074

0.06

null

0.202

null

1.06

null

has coordinates,has Fobs

Luger, Peter; Weber, Manuela DL-Cysteine at 298K Acta Crystallographica Section C 55(11) (1999) 1882-1885

301,791

2025-08-18

23:15:34

#------------------------------------------------------------------------------ #$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/2/00/91/2009193.cif $ #-------------------------------------------------------------------...

2,009,194

10.9776

0.0001

14.0734

0.0002

17.3262

0.0002

90

null

90

null

90

null

2,676.76

0.05

293

2

293

2

null

6

P b c m

-P 2c 2b

57

11-carboxylatomethyl-15-carboxymethyl- 11,15-diazonia-3,23-dioxa-28-thiatetracyclo[23.2.1.0^4,9^.0^17,22^octacosa- 4,6,8,17,19,21,25,27-octene bromide

- C27 H31 Br N2 O6 S -

- C108 H124 Br4 N8 O24 S4 -

4

0.5

SK1313

Yin-Han Zhang; Suchada Chantrapromma; S. Shanmuga Sundara Raj; Hoong-Kun Fun; Yu-Peng Tian; Fu-Xin Xie; Zu-Yao Chen

11-Carboxylatomethyl-15-carboxymethyl-11,15-diazonia-3,23-dioxa-28-thiatetracyclo[23.2.1.0^4,9^.0^17,22^]octacosa-4,6,8,17,19,21,25,27-octaene bromide

Acta Crystallographica Section C

1,999

55

11

1839

1841

10.1107/S0108270199009117

0.71073

MoKα

0.075

0.057

null

0.182

null

1.077

null

has coordinates,has disorder,has Fobs

Yin-Han Zhang; Suchada Chantrapromma; S. Shanmuga Sundara Raj; Hoong-Kun Fun; Yu-Peng Tian; Fu-Xin Xie; Zu-Yao Chen 11-Carboxylatomethyl-15-carboxymethyl-11,15-diazonia-3,23-dioxa-28-thiatetracyclo[23.2.1.0^4,9^.0^17,22^]octacosa-4,6,8,17,19,21,25,27-octaene bromide Acta Crystallographica Section C 55(11) (1999) 1839-1...

176,759

2020-10-21

18:00:00

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4,321,863

21.354

0.01

7.761

0.002

15.508

0.01

90

null

119.34

0.05

90

null

2,240

2

293

2

293

2

null

5

C 1 2/c 1

-C 2yc

15

- H20 Mo6 N4 O24 Te -

- Mo6 N4 O24 Te -

- Mo24 N16 O96 Te4 -

4

0.5

Vidyavathy; K. Vidyasagar

Hydrothermal Synthesis and Characterization of Novel One-Dimensional Tellurites of Molybdenum(VI), A4Mo6TeO22.2H2O (A = NH4, Rb)

Inorganic Chemistry

1,999

38

1394

1400

10.1021/ic980957r

0.71073

MoKα

0.0199

0.0187

null

0.0551

0.0546

null

1.295

1.304

null

has coordinates

Vidyavathy; K. Vidyasagar Hydrothermal Synthesis and Characterization of Novel One-Dimensional Tellurites of Molybdenum(VI), A4Mo6TeO22.2H2O (A = NH4, Rb) Inorganic Chemistry 38 (1999) 1394-1400

179,321

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:18:08 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179321 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/18/4321863.cif $ #-------------------------------------------------------------------...

2,009,195

8.6658

0.0004

8.3101

0.0004

13.1431

0.0005

90

null

98.336

0.001

90

null

936.48

0.07

293

2

293

2

null

3

P 1 21/n 1

-P 2yn

14

(E)-1,2-bis(3,4-dihydro-1-methoxynaphthalen-2-yl)ethylene

- C24 H24 O2 -

- C48 H48 O4 -

2

0.5

SK1314

Jayanta Kumar Ray; Susmita Gupta; S. Shanmuga Sundara Raj; Hoong-Kun Fun

(E)-1,2-Bis(3,4-dihydro-1-methoxynaphthalen-2-yl)ethylene

Acta Crystallographica Section C

1,999

55

11

1847

1849

10.1107/S010827019900921X

0.71073

MoKα

0.068

0.048

null

0.14

null

1.051

null

has coordinates

Jayanta Kumar Ray; Susmita Gupta; S. Shanmuga Sundara Raj; Hoong-Kun Fun (E)-1,2-Bis(3,4-dihydro-1-methoxynaphthalen-2-yl)ethylene Acta Crystallographica Section C 55(11) (1999) 1847-1849

301,791

2025-08-18

23:15:34

#------------------------------------------------------------------------------ #$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/2/00/91/2009195.cif $ #-------------------------------------------------------------------...

2,009,196

3.7335

0.0007

20.116

0.004

18.033

0.004

90

null

91.708

0.005

90

null

1,353.7

0.5

150

2

150

2

null

4

P 1 21/n 1

-P 2yn

14

4,4'-Bipyridyl 3,4-dihydroxy-3-cyclobutenedione (2/3)

- C32 H22 N4 O12 -

- C64 H44 N8 O24 -

2

0.5

SK1316

MacLean, Elizabeth J.; Wheatley, Paul S.; Ferguson, George; Glidewell, Christopher

Self-templating of large rings by small rings in 4,4'-bipyridyl‒3,4-dihydroxy-3-cyclobutene-1,2-dione (2/3)

Acta Crystallographica Section C

1,999

55

11

1892

1896

10.1107/S010827019900952X

0.6891

synchrotron

0.12

0.058

null

0.144

null

0.894

null

has coordinates,has Fobs

MacLean, Elizabeth J.; Wheatley, Paul S.; Ferguson, George; Glidewell, Christopher Self-templating of large rings by small rings in 4,4'-bipyridyl‒3,4-dihydroxy-3-cyclobutene-1,2-dione (2/3) Acta Crystallographica Section C 55(11) (1999) 1892-1896

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/2/00/91/2009196.cif $ #-------------------------------------------------------------------...

2,009,197

8.3594

0.0003

6.936

0.0004

9.5026

0.0003

90

null

109.462

0.002

90

null

519.49

0.04

100

0.1

100

0.1

null

4

P 1 21/n 1

-P 2yn

14

Piperazinium squarate dihydrate

Piperazine‒3,4-dihydroxy-3-butenedione‒water (1/1/2)

- C8 H16 N2 O6 -

- C16 H32 N4 O12 -

2

0.5

SK1317

MacLean, Elizabeth J.; Wheatley, Paul S.; Ferguson, George; Glidewell, Christopher; Lough, Alan J.

A three-dimensional hydrogen-bonded framework in piperazine‒3,4-dihydroxy-3-cyclobutene-1,2-dione‒water (1/1/2)

Acta Crystallographica Section C

1,999

55

11

1896

1899

10.1107/S0108270199009531

0.71073

MoKα

0.049

0.037

null

0.098

null

1.088

null

has coordinates

MacLean, Elizabeth J.; Wheatley, Paul S.; Ferguson, George; Glidewell, Christopher; Lough, Alan J. A three-dimensional hydrogen-bonded framework in piperazine‒3,4-dihydroxy-3-cyclobutene-1,2-dione‒water (1/1/2) Acta Crystallographica Section C 55(11) (1999) 1896-1899

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/2/00/91/2009197.cif $ #-------------------------------------------------------------------...

4,321,862

11.3838

0.0002

12.685

0.0003

15.7144

0.0003

96.209

0.001

110.624

0.001

90.382

0.001

2,108.88

0.08

148

2

148

2

null

9

P -1

-P 1

2

- C33 H38 Cl F12 N5 O P2 Pt2 S3 -

- C66 H76 Cl2 F24 N10 O2 P4 Pt4 S6 -

2

1

Lyall R. Hanton; Kitty Lee

C-S Bond Cleavage by Chloride in a Thioether N2S2 Complex of Platinum

Inorganic Chemistry

1,999

38

1634

1637

10.1021/ic980781t

0.71073

MoKα

0.0327

0.0245

null

0.0598

0.0617

null

0.992

null

has coordinates

Lyall R. Hanton; Kitty Lee C-S Bond Cleavage by Chloride in a Thioether N2S2 Complex of Platinum Inorganic Chemistry 38 (1999) 1634-1637

179,321

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:18:08 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179321 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/18/4321862.cif $ #-------------------------------------------------------------------...

2,009,198

8.3393

0.0008

6.936

0.0007

9.5034

0.0009

90

null

109.294

0.002

90

null

518.82

0.09

150

2

150

2

null

4

P 1 21/n 1

-P 2yn

14

Piperazinium squarate dihydrate

Piperazine‒3,4-dihydroxy-3-butenedione‒water (1/1/2)

- C8 H16 N2 O6 -

- C16 H32 N4 O12 -

2

0.5

SK1317

MacLean, Elizabeth J.; Wheatley, Paul S.; Ferguson, George; Glidewell, Christopher; Lough, Alan J.

A three-dimensional hydrogen-bonded framework in piperazine‒3,4-dihydroxy-3-cyclobutene-1,2-dione‒water (1/1/2)

Acta Crystallographica Section C

1,999

55

11

1896

1899

10.1107/S0108270199009531

0.6891

synchrotron

0.049

0.043

null

0.115

null

1.069

null

has coordinates

MacLean, Elizabeth J.; Wheatley, Paul S.; Ferguson, George; Glidewell, Christopher; Lough, Alan J. A three-dimensional hydrogen-bonded framework in piperazine‒3,4-dihydroxy-3-cyclobutene-1,2-dione‒water (1/1/2) Acta Crystallographica Section C 55(11) (1999) 1896-1899

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/2/00/91/2009198.cif $ #-------------------------------------------------------------------...

2,009,199

7.5611

0.0002

8.1393

0.0001

18.9671

0.0004

90

null

94.798

0.001

90

null

1,163.18

0.04

293

2

293

2

null

4

P 1 21/n 1

-P 2yn

14

7-Methoxy-2-methylnaphtho[1,2-b]thiophene

- C14 H12 O S -

- C56 H48 O4 S4 -

4

1

SK1318

Jayanta Kumar Ray; Dipanjan Pan; S. Shanmuga Sundara Raj; Hoong-Kun Fun

7-Methoxy-2-methylnaphtho[1,2-b]thiophene

Acta Crystallographica Section C

1,999

55

11

1849

1850

10.1107/S0108270199009543

0.71073

MoKα

0.057

0.041

null

0.121

null

1.043

null

has coordinates

Jayanta Kumar Ray; Dipanjan Pan; S. Shanmuga Sundara Raj; Hoong-Kun Fun 7-Methoxy-2-methylnaphtho[1,2-b]thiophene Acta Crystallographica Section C 55(11) (1999) 1849-1850

301,791

2025-08-18

23:15:34

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2,009,200

16.318

0.001

7.362

0.001

8.229

0.001

90

null

113.09

0.01

90

null

909.38

0.19

173

2

173

2

null

5

C 1 2/m 1

-C 2y

12

- C14 H18 Br4 Ge N2 -

- C28 H36 Br8 Ge2 N4 -

2

0.25

SK1320

Hensen, Karl; Faber, Alexander; Bolte, Michael

trans-Tetrabromobis(3,5-dimethylpyridine)germanium(IV), a non-merohedral twin

Acta Crystallographica Section C

1,999

55

11

1774

1775

10.1107/S0108270199010409

0.71073

MoKα

0.0934

0.0588

null

0.1593

null

0.998

null

has coordinates,has Fobs

Hensen, Karl; Faber, Alexander; Bolte, Michael trans-Tetrabromobis(3,5-dimethylpyridine)germanium(IV), a non-merohedral twin Acta Crystallographica Section C 55(11) (1999) 1774-1775

301,791

2025-08-18

23:15:34

#------------------------------------------------------------------------------ #$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/2/00/92/2009200.cif $ #-------------------------------------------------------------------...

2,009,201

9.7615

0.0009

13.0362

0.0012

9.7878

0.0009

90

null

90.199

0.002

90

null

1,245.5

0.2

150

2

150

2

null

4

P 1 21 1

P 2yb

4

Hexamethylenetetramine–2,2'-biphenol (1/2)

- C30 H32 N4 O4 -

- C60 H64 N8 O8 -

2

1

SK1324

MacLean, Elizabeth J.; Glidewell, Christopher; Ferguson, George; Gregson, Richard M.; Lough, Alan J.

Hexamethylenetetramine is a fourfold acceptor of O—H···N hydrogen bonds in its 1:2 adduct with 2,2'-biphenol

Acta Crystallographica Section C

1,999

55

11

1867

1870

10.1107/S0108270199010422

0.6888

synchrotron

0.075

0.066

null

0.144

null

1.101

null

has coordinates,has Fobs

MacLean, Elizabeth J.; Glidewell, Christopher; Ferguson, George; Gregson, Richard M.; Lough, Alan J. Hexamethylenetetramine is a fourfold acceptor of O—H···N hydrogen bonds in its 1:2 adduct with 2,2'-biphenol Acta Crystallographica Section C 55(11) (1999) 1867-1870

301,791

2025-08-18

23:15:34

#------------------------------------------------------------------------------ #$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/2/00/92/2009201.cif $ #-------------------------------------------------------------------...

2,009,202

14.19

0.003

57.435

0.01

17.4063

0.0018

90

null

90

null

90

null

14,186

4

293

2

293

2

null

4

C 2 2 21

C 2c 2

20

C-Ile

Cytosinyl-L-isoleucine dipeptide

- C52 H99 N16 O25.5 -

- C53 H99 N16 O24.5 -

- C424 H792 N128 O196 -

8

1

SX1078

Mitsunobu Doi; Kazuto Tsunemichi; Akiko Asano; Mariko Tarui; Toshimasa Ishida; Masaaki Shiono

N-[3-(Cytosin-1-yl)propionyl]-L-isoleucine, a heavily hydrated structure with four cytosine‒isoleucine hybrids in the asymmetric unit

Acta Crystallographica Section C

1,999

55

11

1865

1867

10.1107/S0108270199003650

1.5418

CuKα

0.086

0.076

null

0.222

null

1.003

null

has coordinates

Mitsunobu Doi; Kazuto Tsunemichi; Akiko Asano; Mariko Tarui; Toshimasa Ishida; Masaaki Shiono N-[3-(Cytosin-1-yl)propionyl]-L-isoleucine, a heavily hydrated structure with four cytosine‒isoleucine hybrids in the asymmetric unit Acta Crystallographica Section C 55(11) (1999) 1865-1867

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/2/00/92/2009202.cif $ #-------------------------------------------------------------------...

4,321,861

8.739

0.004

12.14

0.004

17.207

0.006

90

null

103.91

0.03

90

null

1,772

1.2

566.2

null

566.2

null

5

P 1 21/n 1

-P 2yn

14

- C18 H58 Cu2 N8 O18 -

- C36 H116 Cu4 N16 O36 -

2

0.5

Peter Comba; Sergey P. Gavrish; Robert W. Hay; Peter Hilfenhaus; Yaroslaw D. Lampeka; Philip Lightfoot; Alexander Peters

Structural Variation of Dinuclear Transition Metal Compounds with a Common Type of Ligand: Solid State and Solution Structures and Model Studies

Inorganic Chemistry

1,999

38

1416

1421

10.1021/ic9807184

0.7107

MoKalpha

null

0.0403

null

0.0436

null

2.893

null

has coordinates,has Fobs

Peter Comba; Sergey P. Gavrish; Robert W. Hay; Peter Hilfenhaus; Yaroslaw D. Lampeka; Philip Lightfoot; Alexander Peters Structural Variation of Dinuclear Transition Metal Compounds with a Common Type of Ligand: Solid State and Solution Structures and Model Studies Inorganic Chemistry 38 (1999) 1416-1421

301,838

2025-08-20

22:17:36

#------------------------------------------------------------------------------ #$Date: 2025-08-21 01:01:10 +0300 (Thu, 21 Aug 2025) $ #$Revision: 301838 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/18/4321861.cif $ #-------------------------------------------------------------------...

2,009,203

14.024

0.0019

18.884

0.001

19.6861

0.0016

90

null

91.056

0.008

90

null

5,212.6

0.9

293

2

293

2

null

6

P 1 21/n 1

-P 2yn

14

- C55 H56.34 I0.17 O6.49 P4 Re1.83 -

- C55 H56 I0.17 O6.49 P4 Re1.83 -

- C220 H224 I0.68 O25.96 P16 Re7.32 -

4

1

SX1086

Suescun, Leopoldo; Mombrú, Alvaro W.; Mariezcurrena, Raúl A.; Kremer, Carlos; Rivero, Mario; Kremer, Eduardo; Domínguez, Sixto; Mederos, Alfredo

[ReO~2~(dppp)~2~]I~x~[ReO~4~]~1-x~^.^xH~2~O^.^CH~3~OH for x = 0.17 (1), 0.36 (1) and 1 [dppp is 1,3-bis(diphenylphosphino)propane]

Acta Crystallographica Section C

1,999

55

11

1785

1789

10.1107/S0108270199008628

0.71069

MoKα

0.109

0.057

null

0.171

null

1.041

null

has coordinates

Suescun, Leopoldo; Mombrú, Alvaro W.; Mariezcurrena, Raúl A.; Kremer, Carlos; Rivero, Mario; Kremer, Eduardo; Domínguez, Sixto; Mederos, Alfredo [ReO~2~(dppp)~2~]I~x~[ReO~4~]~1-x~^.^xH~2~O^.^CH~3~OH for x = 0.17 (1), 0.36 (1) and 1 [dppp is 1,3-bis(diphenylphosphino)propane] Acta Crystallogr...

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/2/00/92/2009203.cif $ #-------------------------------------------------------------------...

2,009,204

13.943

0.005

18.864

0.004

19.671

0.008

90

null

91.23

0.03

90

null

5,173

3

293

2

293

2

null

6

P 1 21/n 1

-P 2yn

14

- C55 H56.72 I0.36 O5.92 P4 Re1.64 -

- C55 H56 I0.358 O5.926 P4 Re1.642 -

- C220 H224 I1.432 O23.704 P16 Re6.568 -

4

1

SX1086

Suescun, Leopoldo; Mombrú, Alvaro W.; Mariezcurrena, Raúl A.; Kremer, Carlos; Rivero, Mario; Kremer, Eduardo; Domínguez, Sixto; Mederos, Alfredo

[ReO~2~(dppp)~2~]I~x~[ReO~4~]~1-x~^.^xH~2~O^.^CH~3~OH for x = 0.17 (1), 0.36 (1) and 1 [dppp is 1,3-bis(diphenylphosphino)propane]

Acta Crystallographica Section C

1,999

55

11

1785

1789

10.1107/S0108270199008628

0.71069

MoKα

0.11

0.064

null

0.179

null

1.018

null

has coordinates

Suescun, Leopoldo; Mombrú, Alvaro W.; Mariezcurrena, Raúl A.; Kremer, Carlos; Rivero, Mario; Kremer, Eduardo; Domínguez, Sixto; Mederos, Alfredo [ReO~2~(dppp)~2~]I~x~[ReO~4~]~1-x~^.^xH~2~O^.^CH~3~OH for x = 0.17 (1), 0.36 (1) and 1 [dppp is 1,3-bis(diphenylphosphino)propane] Acta Crystallogr...

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/2/00/92/2009204.cif $ #-------------------------------------------------------------------...

2,009,205

13.832

0.007

18.746

0.01

19.654

0.007

90

null

90.99

0.03

90

null

5,095

4

293

2

293

2

null

6

P 1 21/n 1

-P 2yn

14

bis[1,3-bis(diphenylphosphino)propane]dioxorhenium(V) iodide methanol solvate monohydrate

- C55 H58 I O4 P4 Re -

- C220 H232 I4 O16 P16 Re4 -

4

1

SX1086

Suescun, Leopoldo; Mombrú, Alvaro W.; Mariezcurrena, Raúl A.; Kremer, Carlos; Rivero, Mario; Kremer, Eduardo; Domínguez, Sixto; Mederos, Alfredo

[ReO~2~(dppp)~2~]I~x~[ReO~4~]~1-x~^.^xH~2~O^.^CH~3~OH for x = 0.17 (1), 0.36 (1) and 1 [dppp is 1,3-bis(diphenylphosphino)propane]

Acta Crystallographica Section C

1,999

55

11

1785

1789

10.1107/S0108270199008628

0.71069

MoKα

0.12

0.077

null

0.247

null

1.049

null

has coordinates

Suescun, Leopoldo; Mombrú, Alvaro W.; Mariezcurrena, Raúl A.; Kremer, Carlos; Rivero, Mario; Kremer, Eduardo; Domínguez, Sixto; Mederos, Alfredo [ReO~2~(dppp)~2~]I~x~[ReO~4~]~1-x~^.^xH~2~O^.^CH~3~OH for x = 0.17 (1), 0.36 (1) and 1 [dppp is 1,3-bis(diphenylphosphino)propane] Acta Crystallogr...

301,791

2025-08-18

23:15:34

#------------------------------------------------------------------------------ #$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/2/00/92/2009205.cif $ #-------------------------------------------------------------------...

4,321,860

10.5798

0.0011

11.1755

0.0014

11.8443

0.0013

69.369

0.009

74.17

0.009

71.405

0.01

1,221.7

0.3

203

2

203

2

null

4

P -1

-P 1

2

- C40 H80 Hf2 O10 -

1

0.5

Kirsty A. Fleeting; Paul O'Brien; David J. Otway; Andrew J. P. White; David J. Williams; Anthony C. Jones

Studies on Mixed β-Diketonate/Isopropoxide Compounds of Zirconium and Hafnium, the X-ray Single-Crystal Structures of [M2(OPri)6(tmhd)2] (M = Zr, Hf): Some Chemistry Important in the MOCVD of Oxides

Inorganic Chemistry

1,999

38

1432

1437

10.1021/ic980690w

0.71073

MoKα

0.0527

0.0402

null

0.0984

0.0922

null

1.03

1.05

null

has coordinates,has disorder

Kirsty A. Fleeting; Paul O'Brien; David J. Otway; Andrew J. P. White; David J. Williams; Anthony C. Jones Studies on Mixed β-Diketonate/Isopropoxide Compounds of Zirconium and Hafnium, the X-ray Single-Crystal Structures of [M2(OPri)6(tmhd)2] (M = Zr, Hf): Some Chemistry Important in the MOCVD of Oxides Inorganic Chemi...

301,838

2025-08-20

22:17:36

#------------------------------------------------------------------------------ #$Date: 2025-08-21 01:01:10 +0300 (Thu, 21 Aug 2025) $ #$Revision: 301838 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/18/4321860.cif $ #-------------------------------------------------------------------...

2,009,206

8.889

0.001

8.107

0.001

28.715

0.001

90

null

94.68

0.01

90

null

2,062.4

0.4

223

2

223

2

null

5

P 1 21/c 1

-P 2ybc

14

cis-bis(ethylenediamine)-bis(pyridyl)nickel(II) nitrate

- C14 H26 N8 Ni O6 -

- C56 H104 N32 Ni4 O24 -

4

1

SX1089

Baldwin, Michael J.; Krause Bauer, Jeanette A.

cis-Bis(ethylenediamine)bis(pyridine)nickel(II) dinitrate

Acta Crystallographica Section C

1,999

55

11

1772

1773

10.1107/S0108270199010458

0.71073

MoKα

0.102

0.055

null

0.118

null

1.018

null

has coordinates,has Fobs

Baldwin, Michael J.; Krause Bauer, Jeanette A. cis-Bis(ethylenediamine)bis(pyridine)nickel(II) dinitrate Acta Crystallographica Section C 55(11) (1999) 1772-1773

301,791

2025-08-18

23:15:34

#------------------------------------------------------------------------------ #$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/2/00/92/2009206.cif $ #-------------------------------------------------------------------...

2,009,207

6.484

0.0011

15.208

0.0011

28.047

0.003

90

null

90

null

90

null

2,765.7

0.6

293

2

293

2

null

3

P 21 21 21

P 2ac 2ab

19

[3S-(3a,3aα,5aβ,9aα,9bβ)]-9a-Acetyl-3a,4,5,5a,9a,9b-hexahydro -3,5a-dimethyl-2H-furo[3,2-h][1]benzopyran-2,8(3H)-dione,

- C15 H18 O5 -

- C120 H144 O40 -

8

2

SX1090

Bates, R. B.; Malik, B. L.; Paknikar, S. K.; McClure, K. J.; Carducci, M. D.

An unexpected oxidation product of α-santonin

Acta Crystallographica Section C

1,999

55

11

1881

1882

10.1107/S010827019901046X

0.71073

MoKα

0.14

0.048

null

0.118

null

1.004

null

has coordinates

Bates, R. B.; Malik, B. L.; Paknikar, S. K.; McClure, K. J.; Carducci, M. D. An unexpected oxidation product of α-santonin Acta Crystallographica Section C 55(11) (1999) 1881-1882

301,791

2025-08-18

23:15:34

#------------------------------------------------------------------------------ #$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/2/00/92/2009207.cif $ #-------------------------------------------------------------------...

2,009,208

12.5471

0.0002

17.0445

0.0001

16.7432

0.0003

90

null

111.06

0.001

90

null

3,341.51

0.09

203

2

203

2

null

7

P 1 21/n 1

-P 2yn

14

- C33 H37 Cl3 Ir N2 O2 P -

- C132 H148 Cl12 Ir4 N8 O8 P4 -

4

1

TA1247

Dinger, Maarten B.; Henderson, William; Oliver, Allen G.; Rickard, Clifton E. F.

[N-Acetyl-N'-methylureato(2 ‒)-N,N'](η^5^-pentamethylcyclopentadienyl)(triphenylphosphine-P)iridium(III) chloroform solvate

Acta Crystallographica Section C

1,999

55

11

1778

1780

10.1107/S0108270199007581

0.71073

MoKα

0.04

0.028

null

0.066

null

1.067

null

has coordinates

Dinger, Maarten B.; Henderson, William; Oliver, Allen G.; Rickard, Clifton E. F. [N-Acetyl-N'-methylureato(2 ‒)-N,N'](η^5^-pentamethylcyclopentadienyl)(triphenylphosphine-P)iridium(III) chloroform solvate Acta Crystallographica Section C 55(11) (1999) 1778-1780

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/2/00/92/2009208.cif $ #-------------------------------------------------------------------...

2,009,209

12.346

0.003

20.167

0.007

11.269

0.003

97.49

0.02

101.12

0.02

106.44

0.02

2,589.1

1.4

293

2

293

2

null

6

P -1

-P 1

2

- C45 H58 Cu4 N2 O Se6 -

- C90 H116 Cu8 N4 O2 Se12 -

2

1

TA1255

Jin, Xianglin; Tang, Kaluo; Long, Yaoling; Tang, Youqi

A tetranuclear copper(I) cluster complex with a benzeneselenolate ligand, (Me~4~N)~2~[Cu~4~(SePh)~6~]^.^CH~3~OH

Acta Crystallographica Section C

1,999

55

11

1799

1800

10.1107/S0108270199009403

0.71073

MoKα

0.149

0.043

null

0.108

null

0.957

null

has coordinates

Jin, Xianglin; Tang, Kaluo; Long, Yaoling; Tang, Youqi A tetranuclear copper(I) cluster complex with a benzeneselenolate ligand, (Me~4~N)~2~[Cu~4~(SePh)~6~]^.^CH~3~OH Acta Crystallographica Section C 55(11) (1999) 1799-1800

301,791

2025-08-18

23:15:34

#------------------------------------------------------------------------------ #$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/2/00/92/2009209.cif $ #-------------------------------------------------------------------...

2,009,210

7.503

0.008

9.702

0.005

10.501

0.003

93.93

0.04

103.99

0.03

107.26

0.07

700.2

0.9

293

2

null

5

P -1

-P 1

2

4-Benzoimidazol-2-yl-pyridinium N-oxide dihydrogenphosphate monohydrate

- C12 H14 N3 O6 P -

- C24 H28 N6 O12 P2 -

2

1

TA1261

Zhang, Bing-guang; Liu, Yong-Jiang; Gou, Shao-hua; Duan, Chun-Ying; You, Xiao-Zeng

4-(1H,3H^+^-1,3-Benzimidazol-2-ylio)pyridine N-oxide dihydrogenphosphate monohydrate

Acta Crystallographica Section C

1,999

55

11

1929

1930

10.1107/S0108270199010185

0.71073

MoKα

0.041

0.033

null

0.094

0.089

null

1.065

1.086

null

has coordinates

Zhang, Bing-guang; Liu, Yong-Jiang; Gou, Shao-hua; Duan, Chun-Ying; You, Xiao-Zeng 4-(1H,3H^+^-1,3-Benzimidazol-2-ylio)pyridine N-oxide dihydrogenphosphate monohydrate Acta Crystallographica Section C 55(11) (1999) 1929-1930

301,791

2025-08-18

23:15:34

#------------------------------------------------------------------------------ #$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/2/00/92/2009210.cif $ #-------------------------------------------------------------------...

4,321,859

10.629

0.002

11.204

0.002

11.858

0.002

69.731

0.012

74.412

0.014

71.47

0.012

1,235.9

0.4

203

2

203

2

null

4

P -1

-P 1

2

- C40 H80 O10 Zr2 -

1

0.5

Kirsty A. Fleeting; Paul O'Brien; David J. Otway; Andrew J. P. White; David J. Williams; Anthony C. Jones

Studies on Mixed β-Diketonate/Isopropoxide Compounds of Zirconium and Hafnium, the X-ray Single-Crystal Structures of [M2(OPri)6(tmhd)2] (M = Zr, Hf): Some Chemistry Important in the MOCVD of Oxides

Inorganic Chemistry

1,999

38

1432

1437

10.1021/ic980690w

0.71073

MoKα

0.0539

0.0411

null

0.1065

0.0975

null

1.073

1.089

null

has coordinates,has disorder

Kirsty A. Fleeting; Paul O'Brien; David J. Otway; Andrew J. P. White; David J. Williams; Anthony C. Jones Studies on Mixed β-Diketonate/Isopropoxide Compounds of Zirconium and Hafnium, the X-ray Single-Crystal Structures of [M2(OPri)6(tmhd)2] (M = Zr, Hf): Some Chemistry Important in the MOCVD of Oxides Inorganic Chemi...

301,838

2025-08-20

22:17:36

#------------------------------------------------------------------------------ #$Date: 2025-08-21 01:01:10 +0300 (Thu, 21 Aug 2025) $ #$Revision: 301838 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/18/4321859.cif $ #-------------------------------------------------------------------...

2,009,211

9.272

0.002

11.134

0.008

10.434

0.005

90

null

113.86

0.02

90

null

985.1

0.9

100

null

100

null

4

P 1 21 1

P 2yb

4

1,3-propane sultone

3-hydroxy-1-propanesulfonic acid γ-sultone

- C3 H6 O3 S -

- C24 H48 O24 S8 -

8

4

BK1475

Billodeaux, Damon R.; Owens, Clyde V.; Sayes, Christie M.; Soper, Steven A.; Fronczek, Frank R.

Pseudosymmetry with Z' = 4 in 1,3-propanesultone at 100K

Acta Crystallographica Section C

1,999

55

12

2126

2129

10.1107/S0108270199011592

0.71073

MoKα

0.049

0.039

null

0.11

null

1.042

null

has coordinates,has Fobs

Billodeaux, Damon R.; Owens, Clyde V.; Sayes, Christie M.; Soper, Steven A.; Fronczek, Frank R. Pseudosymmetry with Z' = 4 in 1,3-propanesultone at 100K Acta Crystallographica Section C 55(12) (1999) 2126-2129

301,791

2025-08-18

23:15:34

#------------------------------------------------------------------------------ #$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/2/00/92/2009211.cif $ #-------------------------------------------------------------------...

2,009,212

13.177

0.002

5.111

0.001

12.972

0.002

90

null

116.63

0.01

90

null

781

0.2

293

null

298

null

4

P 1 21/c 1

-P 2ybc

14

Copper(II) hydrogenphthalate dihydrate

- C16 H14 Cu O10 -

- C32 H28 Cu2 O20 -

2

0.5

BK1480

Rodrigues, Bernardo Lages; Costa, Marcia D. D.; Fernandes, Nelson G.

Diaquabis(hydrogen phthalato)copper(II), a new phase

Acta Crystallographica Section C

1,999

55

12

1997

2000

10.1107/S0108270199011610

0.71073

MoKα

0.035

0.029

null

0.092

null

1.11

null

has coordinates

Rodrigues, Bernardo Lages; Costa, Marcia D. D.; Fernandes, Nelson G. Diaquabis(hydrogen phthalato)copper(II), a new phase Acta Crystallographica Section C 55(12) (1999) 1997-2000

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/2/00/92/2009212.cif $ #-------------------------------------------------------------------...

2,009,213

11.793

0.007

7.766

0.002

14.926

0.004

90

null

96.65

0.04

90

null

1,357.8

1

293

2

293

2

null

5

P 1 21/n 1

-P 2yn

14

acetylferrocene thiosemicarbazone

- C13 H15 Fe N3 S -

- C52 H60 Fe4 N12 S4 -

4

1

BK1482

Fang, Chen-Jie; Han, Gang; Liu, Yong-Jiang; Duan, Chun-Ying; Meng, Qing-Jin

Acetylferrocene thiosemicarbazone

Acta Crystallographica Section C

1,999

55

12

2058

2060

10.1107/S010827019901077X

0.71073

MoKα

0.052

0.044

null

0.126

0.114

null

1.085

1.081

null

has coordinates

Fang, Chen-Jie; Han, Gang; Liu, Yong-Jiang; Duan, Chun-Ying; Meng, Qing-Jin Acetylferrocene thiosemicarbazone Acta Crystallographica Section C 55(12) (1999) 2058-2060

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/2/00/92/2009213.cif $ #-------------------------------------------------------------------...

2,009,214

5.894

0.001

8.806

0.001

17.176

0.001

90

null

92.92

0.01

90

null

890.32

0.19

293

2

293

2

null

4

P 1 21/c 1

-P 2ybc

14

1,4-Bis(2-hydroxy-5-methylbenzyl)piperazine

- C20 H26 N2 O2 -

- C40 H52 N4 O4 -

2

0.5

BK1485

Kuppayee, M.; Kumaran, D.; Ponnuswamy, M. N.; Kandaswamy, M.; Jayanthi Violet, M.; Chinnakali, K.; Hoong-Kun Fun

1,4-Bis(2-hydroxy-5-methylbenzyl)piperazine

Acta Crystallographica Section C

1,999

55

12

2147

2149

10.1107/S0108270199010781

0.71073

MoKα

0.068

0.044

null

0.134

0.12

null

0.868

0.975

null

has coordinates,has Fobs

Kuppayee, M.; Kumaran, D.; Ponnuswamy, M. N.; Kandaswamy, M.; Jayanthi Violet, M.; Chinnakali, K.; Hoong-Kun Fun 1,4-Bis(2-hydroxy-5-methylbenzyl)piperazine Acta Crystallographica Section C 55(12) (1999) 2147-2149

301,791

2025-08-18

23:15:34

#------------------------------------------------------------------------------ #$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/2/00/92/2009214.cif $ #-------------------------------------------------------------------...

2,009,215

15.144

0.003

8.672

0.001

14.23

0.003

90

null

124.79

0.01

90

null

1,534.8

0.5

298

null

298

null

5

C 1 2/c 1

-C 2yc

15

- C2 H12 Cl6 N6 Sn -

- C8 H48 Cl24 N24 Sn4 -

4

0.5

BK1486

Ishida, Hiroyuki; Furukawa, Yoshihiro; Kashino, Setsuo

Bis(guanidinium) hexachlorostannate(IV)

Acta Crystallographica Section C

1,999

55

12

1995

1997

10.1107/S0108270199012032

0.71073

MoKα

0.039

0.032

null

0.039

null

0.036

null

1.23

null

1.23

null

has coordinates

Ishida, Hiroyuki; Furukawa, Yoshihiro; Kashino, Setsuo Bis(guanidinium) hexachlorostannate(IV) Acta Crystallographica Section C 55(12) (1999) 1995-1997

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/2/00/92/2009215.cif $ #-------------------------------------------------------------------...

4,321,858

14.874

0.007

13.3

0.004

16.604

0.005

90

0.03

99.68

0.03

90

0.03

3,238

2

293

null

293

null

Synthesized in the laboratory

5

P 1 21/a 1

-P 2yab

14

- C38 H27.5 N6 Ni O4.75 -

- C38 H28 N6 Ni O5 -

- C152 H112 N24 Ni4 O20 -

4

1

Apurba Kumar Patra; Rabindranath Mukherjee

Bivalent, Trivalent, and Tetravalent Nickel Complexes with a Common Tridentate Deprotonated Pyridine Bis-Amide Ligand. Molecular Structures of Nickel(II) and Nickel(IV) and Redox Activity

Inorganic Chemistry

1,999

38

1388

1393

10.1021/ic980672e

0.71073

MoK-alpha

0.164

0.061

null

0.159

0.064

null

1.984

1.305

null

has coordinates

Apurba Kumar Patra; Rabindranath Mukherjee Bivalent, Trivalent, and Tetravalent Nickel Complexes with a Common Tridentate Deprotonated Pyridine Bis-Amide Ligand. Molecular Structures of Nickel(II) and Nickel(IV) and Redox Activity Inorganic Chemistry 38 (1999) 1388-1393

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/4/32/18/4321858.cif $ #-------------------------------------------------------------------...

2,009,216

4.4957

0.0003

18.8581

0.0013

20.848

0.0015

90

null

91.685

0.001

90

null

1,766.7

0.2

295

2

295

2

null

6

P 1 21/c 1

-P 2ybc

14

N-[2-(2,5-dimethoxyphenylethyl)]-N'-[2-(5-bromopyridyl)]-thiourea

- C16 H18 Br N3 O2 S -

- C64 H72 Br4 N12 O8 S4 -

4

1

BK1492

Sudbeck, Elise A.; Jennissen, Jason D.; Venkatachalam, Taracad K.; Uckun, Fatih M.

Inhibitor of HIV-1 reverse transcriptase: N'-(5-bromo-2-pyridyl)-N-[2-(2,5-dimethoxyphenyl)ethyl]thiourea

Acta Crystallographica Section C

1,999

55

12

2122

2124

10.1107/S0108270199012044

0.71073

MoKα

0.0915

0.0369

null

0.0972

null

0.869

null

has coordinates

Sudbeck, Elise A.; Jennissen, Jason D.; Venkatachalam, Taracad K.; Uckun, Fatih M. Inhibitor of HIV-1 reverse transcriptase: N'-(5-bromo-2-pyridyl)-N-[2-(2,5-dimethoxyphenyl)ethyl]thiourea Acta Crystallographica Section C 55(12) (1999) 2122-2124

301,791

2025-08-18

23:15:34

#------------------------------------------------------------------------------ #$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/2/00/92/2009216.cif $ #-------------------------------------------------------------------...

2,009,217

16.161

0.006

9.262

0.002

7.133

0.003

90

null

90

null

90

null

1,067.7

0.6

297

2

297

2

null

5

P n m a

-P 2ac 2n

62

copper(I) cyanide/morpholine 3/1

- C7 H9 Cu3 N4 S -

- C28 H36 Cu12 N16 S4 -

4

0.5

BK1494

Britton, Doyle; Stocker, Fred B.; Staeva, Teodora P.

Copper(I) cyanide‒thiomorpholine (3/1)

Acta Crystallographica Section C

1,999

55

12

2014

2016

10.1107/S0108270199011622

0.71073

MoKα

0.0849

0.051

null

0.125

null

0.111

null

0.985

null

1.08

null

has coordinates

Britton, Doyle; Stocker, Fred B.; Staeva, Teodora P. Copper(I) cyanide‒thiomorpholine (3/1) Acta Crystallographica Section C 55(12) (1999) 2014-2016

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/2/00/92/2009217.cif $ #-------------------------------------------------------------------...

2,009,218

12.412

0.002

9.68

0.002

11.191

0.002

90

null

90

null

90

null

1,344.6

0.4

143

2

143

2

null

3

P b c a

-P 2ac 2ab

61

(E)-3,4-Di(tert-butyl)-3-hexene-2,5-dione

- C14 H24 O2 -

- C56 H96 O8 -

4

0.5

BM1331

Klein, Oliver; Dix, Ina; Hopf, Henning; Jones, Peter G.

(E)-3,4-Di-tert-butylhex-3-ene-2,5-dione

Acta Crystallographica Section C

1,999

55

12

2078

2080

10.1107/S0108270199012731

0.71073

MoKα

0.063

0.048

null

0.134

null

1.058

null

has coordinates,has Fobs

Klein, Oliver; Dix, Ina; Hopf, Henning; Jones, Peter G. (E)-3,4-Di-tert-butylhex-3-ene-2,5-dione Acta Crystallographica Section C 55(12) (1999) 2078-2080

301,791

2025-08-18

23:15:34

#------------------------------------------------------------------------------ #$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/2/00/92/2009218.cif $ #-------------------------------------------------------------------...

2,009,219

47.6

0.006

6.6063

0.0008

22.135

0.002

90

null

116.371

0.009

90

null

6,236.2

1.3

173

2

173

2

null

6

C 1 2/c 1

-C 2yc

15

trans-[Dimethyltetrakis(urea-O)tin(IV)]bis[di(methanesulfonyl)amidate] acetonitrile monosolvate

- C12 H37 N11 O12 S4 Sn -

- C96 H296 N88 O96 S32 Sn8 -

8

1

BM1351

Wirth, Andreas; Moers, Oliver; Jones, Peter G.; Blaschette, Armand

Polysulfonylamines. CXIV. trans-Dimethyltetrakis(urea-O)tin(IV) bis[di(methanesulfonyl)amidate] acetonitrile monosolvate

Acta Crystallographica Section C

1,999

55

12

2033

2035

10.1107/S0108270199011634

0.71073

MoKα

0.0476

0.0298

null

0.0615

null

0.907

null

has coordinates,has Fobs

Wirth, Andreas; Moers, Oliver; Jones, Peter G.; Blaschette, Armand Polysulfonylamines. CXIV. trans-Dimethyltetrakis(urea-O)tin(IV) bis[di(methanesulfonyl)amidate] acetonitrile monosolvate Acta Crystallographica Section C 55(12) (1999) 2033-2035

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/2/00/92/2009219.cif $ #-------------------------------------------------------------------...

2,009,220

9.311

0.005

12.877

0.007

19.806

0.01

90

null

94.74

0.04

90

null

2,367

2

193

2

193

2

null

4

P 1 21/n 1

-P 2yn

14

Spiro(4,8-dibenzyl-1,3-dioxaazulenium-2,1'-2',4',6'-trinitrohexadienide)

- C27 H19 N3 O8 -

- C108 H76 N12 O32 -

4

1

BM1362

Borbulevych, Oleg Ya.; Antipin, Michail Yu.; Olekhnovich, Lev P.

4,8-Dibenzyl-2',4',6'-trinitrospiro[1,3-dioxaazulenium-2,1'-cyclohexadienide]

Acta Crystallographica Section C

1,999

55

12

2177

2179

10.1107/S010827019901241X

0.71073

MoKα

0.1537

0.0719

null

0.1659

null

0.1211

null

0.998

null

1.225

null

has coordinates,has Fobs

Borbulevych, Oleg Ya.; Antipin, Michail Yu.; Olekhnovich, Lev P. 4,8-Dibenzyl-2',4',6'-trinitrospiro[1,3-dioxaazulenium-2,1'-cyclohexadienide] Acta Crystallographica Section C 55(12) (1999) 2177-2179

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/2/00/92/2009220.cif $ #-------------------------------------------------------------------...

4,321,857

10.175

0.002

20.834

0.003

23.765

0.004

90

0.01

90

0.02

90

0.02

5,037.8

1.5

293

null

293

null

5

P c c n

-P 2ab 2ac

56

- C54 H68 N8 Ni O5 -

- C216 H272 N32 Ni4 O20 -

4

0.5

Apurba Kumar Patra; Rabindranath Mukherjee

Bivalent, Trivalent, and Tetravalent Nickel Complexes with a Common Tridentate Deprotonated Pyridine Bis-Amide Ligand. Molecular Structures of Nickel(II) and Nickel(IV) and Redox Activity

Inorganic Chemistry

1,999

38

1388

1393

10.1021/ic980672e

0.71073

MoK-alpha

0.212

0.069

null

0.058

0.044

null

1.407

1.99

null

has coordinates

Apurba Kumar Patra; Rabindranath Mukherjee Bivalent, Trivalent, and Tetravalent Nickel Complexes with a Common Tridentate Deprotonated Pyridine Bis-Amide Ligand. Molecular Structures of Nickel(II) and Nickel(IV) and Redox Activity Inorganic Chemistry 38 (1999) 1388-1393

301,838

2025-08-20

22:17:36

#------------------------------------------------------------------------------ #$Date: 2025-08-21 01:01:10 +0300 (Thu, 21 Aug 2025) $ #$Revision: 301838 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/18/4321857.cif $ #-------------------------------------------------------------------...

2,009,221

6.345

0.0015

10.242

0.003

21.554

0.006

90

null

93.05

0.02

90

null

1,398.7

0.7

178

2

178

2

null

5

P 1 21/c 1

-P 2ybc

14

N,N-bis(methanesulfonyl)-1-adamantylamine

- C12 H21 N O4 S2 -

- C48 H84 N4 O16 S8 -

4

1

BM1364

Pröhl, Hans-Heinrich; Näveke, Martina; Jones, Peter G.; Blaschette, Armand

Polysulfonylamines. CXXI. Three N,N-disulfonylated 1-adamantylamines

Acta Crystallographica Section C

1,999

55

12

2080

2084

10.1107/S0108270199011646

0.71073

MoKα

0.0364

0.0317

null

0.0872

null

1.041

null

has coordinates

Pröhl, Hans-Heinrich; Näveke, Martina; Jones, Peter G.; Blaschette, Armand Polysulfonylamines. CXXI. Three N,N-disulfonylated 1-adamantylamines Acta Crystallographica Section C 55(12) (1999) 2080-2084

301,791

2025-08-18

23:15:34

#------------------------------------------------------------------------------ #$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/2/00/92/2009221.cif $ #-------------------------------------------------------------------...

2,009,222

13.08

0.003

11.978

0.003

27.915

0.004

90

null

90

null

90

null

4,373.5

1.6

178

2

178

2

null

5

P b c a

-P 2ac 2ab

61

N,N-bis(p-toluenesulfonyl)-1-adamantylamine

- C24 H29 N O4 S2 -

- C192 H232 N8 O32 S16 -

8

1

BM1364

Pröhl, Hans-Heinrich; Näveke, Martina; Jones, Peter G.; Blaschette, Armand

Polysulfonylamines. CXXI. Three N,N-disulfonylated 1-adamantylamines

Acta Crystallographica Section C

1,999

55

12

2080

2084

10.1107/S0108270199011646

0.71073

MoKα

0.0963

0.044

null

0.1289

null

0.944

null

has coordinates

Pröhl, Hans-Heinrich; Näveke, Martina; Jones, Peter G.; Blaschette, Armand Polysulfonylamines. CXXI. Three N,N-disulfonylated 1-adamantylamines Acta Crystallographica Section C 55(12) (1999) 2080-2084

301,791

2025-08-18

23:15:34

#------------------------------------------------------------------------------ #$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/2/00/92/2009222.cif $ #-------------------------------------------------------------------...

2,009,223

7.2362

0.0018

7.2831

0.0015

29.526

0.006

90

null

90

null

90

null

1,556.1

0.6

178

2

178

2

null

5

P 21 21 21

P 2ac 2ab

19

2-(1-adamantyl)-1,1,3,3-tetraoxo-1,3,2-benzodithiazole

- C16 H19 N O4 S2 -

- C64 H76 N4 O16 S8 -

4

1

BM1364

Pröhl, Hans-Heinrich; Näveke, Martina; Jones, Peter G.; Blaschette, Armand

Polysulfonylamines. CXXI. Three N,N-disulfonylated 1-adamantylamines

Acta Crystallographica Section C

1,999

55

12

2080

2084

10.1107/S0108270199011646

0.71073

MoKα

0.0378

0.0326

null

0.0869

null

1.032

null

has coordinates

Pröhl, Hans-Heinrich; Näveke, Martina; Jones, Peter G.; Blaschette, Armand Polysulfonylamines. CXXI. Three N,N-disulfonylated 1-adamantylamines Acta Crystallographica Section C 55(12) (1999) 2080-2084

301,791

2025-08-18

23:15:34

#------------------------------------------------------------------------------ #$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/2/00/92/2009223.cif $ #-------------------------------------------------------------------...

2,009,224

8.057

0.0014

11.564

0.002

14.445

0.002

90

null

95.225

0.004

90

null

1,340.3

0.4

160

2

160

2

null

5

P 1 21/n 1

-P 2yn

14

N-[2-(2-formylphenyl)ethyl]-2-fluoro-4-nitroaniline

- C15 H13 F N2 O3 -

- C60 H52 F4 N8 O12 -

4

1

BM1367

Clegg, William; Elsegood, Mark R. J.; Stanforth, Stephen P.; Hedley, K. Andrew; Stanley, Alan L.; Raper, Eric S.; Creighton, James R.

2-(2-Fluoro-4-nitroanilinoethyl)benzaldehyde and N-(2-fluoro-4-nitrophenyl)-1-methoxy-1,2,3,4-tetrahydroisoquinoline

Acta Crystallographica Section C

1,999

55

12

2163

2167

10.1107/S010827019901104X

0.71073

MoKα

0.046

0.037

null

0.102

null

1.041

null

has coordinates

Clegg, William; Elsegood, Mark R. J.; Stanforth, Stephen P.; Hedley, K. Andrew; Stanley, Alan L.; Raper, Eric S.; Creighton, James R. 2-(2-Fluoro-4-nitroanilinoethyl)benzaldehyde and N-(2-fluoro-4-nitrophenyl)-1-methoxy-1,2,3,4-tetrahydroisoquinoline Acta Crystallographica Section C 55(12) (1999) 2163-2167

301,791

2025-08-18

23:15:34

#------------------------------------------------------------------------------ #$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/2/00/92/2009224.cif $ #-------------------------------------------------------------------...

7,106,448

10.195

0.002

21.342

0.004

18.533

0.004

90

null

102.96

0.03

90

null

3,929.7

1.4

223

2

223

2

null

5

P 1 21/c 1

-P 2ybc

14

cyclo(2)(2,6-di(1H-imidazol-1-yl)pyridine)(2)(1,4- dimethylenebenzene)_2 (Zn 2+)_4 di-2,6-naphthalenedicarboxylate_6 H2O

- C86 H58 N10 O22 Zn2 -

- C172 H116 N20 O44 Zn4 -

2

0.5

Han-Yuan Gong; Brett M. Rambo; Won Cho; Vincent M. Lynch; Moonhyun Oh; Jonathan L. Sessler

Anion-directed assembly of a three-dimensional metal-organic rotaxane framework

Chem.Commun.

2,011

47

5973

10.1039/c1cc10272a

0.71073

MoKα

0.0957

0.0622

null

0.1245

0.1459

null

1.001

null

has coordinates

Han-Yuan Gong; Brett M. Rambo; Won Cho; Vincent M. Lynch; Moonhyun Oh; Jonathan L. Sessler Anion-directed assembly of a three-dimensional metal-organic rotaxane framework Chem.Commun. 47 (2011) 5973

180,168

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-26 03:05:44 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180168 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/10/64/7106448.cif $ #-------------------------------------------------------------------...

2,009,225

13.534

0.003

7.0535

0.0014

29.526

0.008

90

null

90

null

90

null

2,818.6

1.1

160

2

160

2

null

5

P b c a

-P 2ac 2ab

61

N-(2-fluoro-4-nitro)-1-methoxy-1,2,3,4-tetrahydroisoquinoline

- C16 H15 F N2 O3 -

- C128 H120 F8 N16 O24 -

8

1

BM1367

Clegg, William; Elsegood, Mark R. J.; Stanforth, Stephen P.; Hedley, K. Andrew; Stanley, Alan L.; Raper, Eric S.; Creighton, James R.

2-(2-Fluoro-4-nitroanilinoethyl)benzaldehyde and N-(2-fluoro-4-nitrophenyl)-1-methoxy-1,2,3,4-tetrahydroisoquinoline

Acta Crystallographica Section C

1,999

55

12

2163

2167

10.1107/S010827019901104X

0.71073

MoKα

0.098

0.057

null

0.211

null

1.115

null

has coordinates,has disorder

Clegg, William; Elsegood, Mark R. J.; Stanforth, Stephen P.; Hedley, K. Andrew; Stanley, Alan L.; Raper, Eric S.; Creighton, James R. 2-(2-Fluoro-4-nitroanilinoethyl)benzaldehyde and N-(2-fluoro-4-nitrophenyl)-1-methoxy-1,2,3,4-tetrahydroisoquinoline Acta Crystallographica Section C 55(12) (1999) 2163-2167

301,791

2025-08-18

23:15:34

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2,009,226

8.3093

0.0004

8.3093

0.0004

8.3093

0.0004

90

null

90

null

90

null

573.71

0.05

302

null

3

F d -3 m :2

-F 4vw 2vw 3

227

- Cr2 Ni O4 -

- Cr16 Ni8 O32 -

8

0.041667

BR1244

Ueno, Go; Sato, Shoichi; Kino, Yoshihiro

The low-temperature tetragonal phase of NiCr~2~O~4~

Acta Crystallographica Section C

1,999

55

12

1963

1966

10.1107/S0108270199011713

0.7107

MoKα

null

0.022

null

0.058

null

1.894

null

has coordinates

Ueno, Go; Sato, Shoichi; Kino, Yoshihiro The low-temperature tetragonal phase of NiCr~2~O~4~ Acta Crystallographica Section C 55(12) (1999) 1963-1966

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/2/00/92/2009226.cif $ #-------------------------------------------------------------------...

2,009,227

5.8102

0.0008

5.8102

0.0008

8.4806

0.0009

90

null

90

null

90

null

286.29

0.06

200.2

null

3

I 41/a m d :2

-I 4bd 2

141

- Cr2 Ni O4 -

- Cr8 Ni4 O16 -

4

0.125

BR1244

Ueno, Go; Sato, Shoichi; Kino, Yoshihiro

The low-temperature tetragonal phase of NiCr~2~O~4~

Acta Crystallographica Section C

1,999

55

12

1963

1966

10.1107/S0108270199011713

0.7107

MoKα

null

0.0226

null

0.0412

null

1.862

null

has coordinates

Ueno, Go; Sato, Shoichi; Kino, Yoshihiro The low-temperature tetragonal phase of NiCr~2~O~4~ Acta Crystallographica Section C 55(12) (1999) 1963-1966

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/2/00/92/2009227.cif $ #-------------------------------------------------------------------...

2,009,228

5.772

0.001

5.772

0.001

26.538

0.001

90

null

90

null

120

null

765.69

0.19

293

2

293

2

null

5

R -3 :H

-R 3

148

calcium oxide‒dialuminium trioxide‒calcium diiodate hydrate (3/1/1/10)

- Al Ca2 H10 I O8 -

- Al Ca2 H10.002 I6 O8 -

- Al3 Ca6 H30.006 I18 O24 -

3

0.166667

BR1245

Jean-Philippe Rapin; Alain Walcarius; Grégory Lefevre; Michel François

A double-layered hydroxide, 3CaO.Al~2~O~3~.CaI~2~.10H~2~O

Acta Crystallographica Section C

1,999

55

12

1957

1959

10.1107/S0108270199008665

1.54058

CuKα

0.04

0.039

null

0.112

null

1.1

null

has coordinates

Jean-Philippe Rapin; Alain Walcarius; Grégory Lefevre; Michel François A double-layered hydroxide, 3CaO.Al~2~O~3~.CaI~2~.10H~2~O Acta Crystallographica Section C 55(12) (1999) 1957-1959

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/2/00/92/2009228.cif $ #-------------------------------------------------------------------...