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

2,008,069

10.8326

0.0007

14.3281

0.0015

10.976

0.003

90

null

107.026

0.011

90

null

1,628.9

0.5

293

1

293

1

null

5

P 1 21/n 1

-P 2yn

14

Gliclazide

N-[(perhydrocyclopenta[c]pyrrol-2-yl)aminocarbonyl]-p-toluenesulfonamide

- C15 H21 N3 O3 S -

- C60 H84 N12 O12 S4 -

4

1

FG1499

Parvez, Masood; Arayne, M. Saeed; Zaman, M. Kamran; Sultana, Najma

Gliclazide

Acta Crystallographica Section C

1,999

55

1

74

75

10.1107/S0108270198009883

1.54178

CuKα

0.066

0.053

null

0.149

null

1.019

null

has coordinates

Parvez, Masood; Arayne, M. Saeed; Zaman, M. Kamran; Sultana, Najma Gliclazide Acta Crystallographica Section C 55(1) (1999) 74-75

301,791

2025-08-18

23:15:32

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2,008,070

15.593

0.003

15.596

0.009

20.041

0.006

90

null

95.12

0.02

90

null

4,854

3

173

2

173

2

null

3

P 1 21/c 1

-P 2ybc

14

25,27-dihydroxyethoxy-26,28-dipropoxy-tert-butyl-calix[4]arene

- C54 H76 O6 -

- C216 H304 O24 -

4

1

FG1502

Nissinen, Maija; Parzuchowski, Pawel; Böhmer, Volker; Rokicki, Gabriel; Rissanen, Kari

25,27-Dihydroxyethoxy-26,28-dipropoxy-tert-butylcalix[4]arene

Acta Crystallographica Section C

1,999

55

1

104

106

10.1107/S0108270198010221

0.71073

MoKα

0.075

0.047

null

0.14

null

1.093

null

has coordinates,has disorder,has Fobs

Nissinen, Maija; Parzuchowski, Pawel; Böhmer, Volker; Rokicki, Gabriel; Rissanen, Kari 25,27-Dihydroxyethoxy-26,28-dipropoxy-tert-butylcalix[4]arene Acta Crystallographica Section C 55(1) (1999) 104-106

301,791

2025-08-18

23:15:32

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2,008,071

32.802

0.003

9.267

0.002

11.756

0.002

90

null

108.93

0.01

90

null

3,380.3

1

293

1

293

1

null

4

C 1 2 1

C 2y

5

indaconitine

- C35 H48.5 N1.5 O10 -

- C140 H194 N6 O40 -

4

1

FG1503

Parvez, Masood; Gul, Waseem; Anwar, Saeed; Miana, Ghulam A.; Atta-ur-Rahman; Choudhary, M. Iqbal

Indaconitine 0.5-acetonitrile solvate

Acta Crystallographica Section C

1,999

55

1

70

72

10.1107/S0108270198010130

1.54178

CuKα

0.074

0.067

null

0.188

0.179

null

1.038

null

has coordinates,has disorder,has Fobs

Parvez, Masood; Gul, Waseem; Anwar, Saeed; Miana, Ghulam A.; Atta-ur-Rahman; Choudhary, M. Iqbal Indaconitine 0.5-acetonitrile solvate Acta Crystallographica Section C 55(1) (1999) 70-72

176,435

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/80/2008071.cif $ #-------------------------------------------------------------------...

2,008,072

7.1459

0.001

7.5905

0.0009

8.8515

0.0008

82.682

0.009

77.437

0.009

68.864

0.01

436.46

0.09

296

null

296

null

4

P -1

-P 1

2

(1R*,7aS*)-hexahydro-7-carboxymethyl-3H-pyrrolizidin-3-one

1-(5-Oxo-2,3,5,6,7,7a-hexahydro-1H-pyrrolizinyl)acetic acid

- C9 H13 N O3 -

- C18 H26 N2 O6 -

2

1

FG1513

Gerkin, Roger E.

Hydrogen bonding in [(1R*,7aS*)-hexahydro-5-oxo-1H-pyrrolizinyl-1-yl]acetic acid

Acta Crystallographica Section C

1,999

55

1

84

87

10.1107/S0108270198010099

0.71073

MoKα

null

0.04

null

0.095

null

1.97

null

has coordinates

Gerkin, Roger E. Hydrogen bonding in [(1R*,7aS*)-hexahydro-5-oxo-1H-pyrrolizinyl-1-yl]acetic acid Acta Crystallographica Section C 55(1) (1999) 84-87

301,791

2025-08-18

23:15:32

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2,008,073

8.4254

0.0004

17.2278

0.0006

10.9291

0.0003

90

null

96.164

0.002

90

null

1,577.2

0.1

293

2

293

2

null

4

P 1 21/c 1

-P 2ybc

14

5-benzoyl-1-ethyl-4-phenylpyrimidine-2-one

- C19 H16 N2 O2 -

- C76 H64 N8 O8 -

4

1

FR1134

Sema Öztürk; Mehmet Akkurt; İbrahim Abdul Razak; Hoong-Kun Fun; İsmail Yıldırım

5-Benzoyl-1-ethyl-4-phenyl-1H-pyrimidin-2-one

Acta Crystallographica Section C

1,999

55

1

97

99

10.1107/S0108270198009822

0.71073

MoKα

0.1788

0.0677

null

0.121

0.0905

null

1.009

1.204

null

has coordinates

Sema Öztürk; Mehmet Akkurt; İbrahim Abdul Razak; Hoong-Kun Fun; İsmail Yıldırım 5-Benzoyl-1-ethyl-4-phenyl-1H-pyrimidin-2-one Acta Crystallographica Section C 55(1) (1999) 97-99

301,791

2025-08-18

23:15:32

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2,008,074

7.864

0.002

6.964

0.002

24.361

0.006

90

null

97.74

0.02

90

null

1,322

0.6

293

2

293

2

null

6

P 1 21/n 1

-P 2yn

14

Trans-Dicarbonyl(2,3,5,6-tetrafluorophenyl)bromo((5-cyclopentadienyl)rhenium (III)

- C13 H6 Br F4 O2 Re -

- C52 H24 Br4 F16 O8 Re4 -

4

1

FR1143

María Teresa Garland; Ricardo F. Baggio; A. Hugo Klahn; Beatriz Oëlckers

trans-Bromodicarbonyl(η^5^-cyclopentadienyl)(2,3,5,6-tetrafluorophenyl)rhenium(III)

Acta Crystallographica Section C

1,999

55

1

61

62

10.1107/S0108270198011494

0.71073

MoKα

0.049

0.034

null

0.088

null

1.011

null

has coordinates

María Teresa Garland; Ricardo F. Baggio; A. Hugo Klahn; Beatriz Oëlckers trans-Bromodicarbonyl(η^5^-cyclopentadienyl)(2,3,5,6-tetrafluorophenyl)rhenium(III) Acta Crystallographica Section C 55(1) (1999) 61-62

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/80/2008074.cif $ #-------------------------------------------------------------------...

2,018,048

10.5173

0.0002

17.5635

0.0003

19.4889

0.0004

90

null

104.878

0.002

90

null

3,479.31

0.12

150

2

150

2

null

6

P 1 21/n 1

-P 2yn

14

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

- C23 H42 B N7 S8 W2 -

- C92 H168 B4 N28 S32 W8 -

4

1

BI3009

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

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

Acta Crystallographica Section C

2,011

67

5

m149

m153

10.1107/S0108270111013035

0.71073

MoKα

0.0501

0.0364

null

0.0944

0.0977

null

1.09

null

has coordinates,has Fobs

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

288,505

2023-12-22

15:12:00

#------------------------------------------------------------------------------ #$Date: 2023-12-22 17:07:40 +0200 (Fri, 22 Dec 2023) $ #$Revision: 288505 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/80/2018048.cif $ #-------------------------------------------------------------------...

2,008,075

21.479

0.004

10.569

0.002

16.807

0.003

90

null

90

null

90

null

3,815.4

1.2

293

2

293

2

null

6

P n a 21

P 2c -2n

33

Trans-carbonylchlorobis(tri-p-tolylphosphine)rhodium(I)

- C43 H42 Cl O P2 Rh -

- C172 H168 Cl4 O4 P8 Rh4 -

4

1

GD1000

Otto, Stefanus; Mzamane, Sibusisiwe N.; Roodt, Andreas

trans-Carbonylchlorobis(tri-p-tolylphosphine)rhodium(I)

Acta Crystallographica Section C

1,999

55

1

67

69

10.1107/S0108270198011603

0.71073

MoKα

0.0416

0.0314

null

0.0646

null

1.163

null

has coordinates,has Fobs

Otto, Stefanus; Mzamane, Sibusisiwe N.; Roodt, Andreas trans-Carbonylchlorobis(tri-p-tolylphosphine)rhodium(I) Acta Crystallographica Section C 55(1) (1999) 67-69

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/80/2008075.cif $ #-------------------------------------------------------------------...

2,008,076

8.2898

0.0002

9.752

0.0001

11.2391

0.0003

112.131

0.001

96.654

0.001

104.437

0.001

792.47

0.03

296

2

296

2

null

3

P -1

-P 1

2

2,4,6-Triethyl-1,3,5-benzenetriacetonitrile

- C18 H21 N3 -

- C36 H42 N6 -

2

1

GD1001

Walsdorff, Christian; Park, Ki-Min; Oh, Jinho; Kim, Kimoon

1,3,5-Tris(cyanomethyl)-2,4,6-triethylbenzene

Acta Crystallographica Section C

1,999

55

1

108

110

10.1107/S0108270198011615

0.71073

MoKα

0.0589

0.0505

null

0.1464

null

1.072

null

has coordinates

Walsdorff, Christian; Park, Ki-Min; Oh, Jinho; Kim, Kimoon 1,3,5-Tris(cyanomethyl)-2,4,6-triethylbenzene Acta Crystallographica Section C 55(1) (1999) 108-110

301,791

2025-08-18

23:15:32

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2,008,077

10.2979

0.0008

13.1101

0.0011

16.7038

0.0013

78.0476

0.0006

71.3989

0.0006

79.6493

0.0007

2,075.2

0.3

293

2

293

2

null

4

P -1

-P 1

2

- C44 H58 N2 O4 -

- C22 H29 N O2 -

- C88 H116 N4 O8 -

4

2

GS1017

Elerman, Yalc̨in; Elmali, Ayhan; Kendi̇, Engin; Özbey, Süheyla

4-(2,5-Di-tert-butylphenylnitrilomethylidyne)-2-methoxyphenol

Acta Crystallographica Section C

1,999

55

1

116

119

10.1107/S0108270198011573

0.71069

MoKα

0.0833

0.0613

null

0.162

0.133

null

0.962

1.014

null

has coordinates

Elerman, Yalc̨in; Elmali, Ayhan; Kendi̇, Engin; Özbey, Süheyla 4-(2,5-Di-tert-butylphenylnitrilomethylidyne)-2-methoxyphenol Acta Crystallographica Section C 55(1) (1999) 116-119

201,955

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-10-13 03:08:28 +0300 (Fri, 13 Oct 2017) $ #$Revision: 201955 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/80/2008077.cif $ #-------------------------------------------------------------------...

2,008,078

12.676

0.002

5.341

0.001

19.493

0.002

90

null

107.42

0.01

90

null

1,259.2

0.3

295

2

295

2

null

4

P 1 21/n 1

-P 2yn

14

1,3-bis(3-nitrophenyl)-1-triazene

- C12 H9 N5 O4 -

- C48 H36 N20 O16 -

4

1

HA1224

Zhang, De-Chun; Fei, Zheng-Hao; Zhang, Tian-Zhu; Zhang, Yan-Qiu; Yu, Kai-Bei

1,3-Bis(3-nitrophenyl)triazene

Acta Crystallographica Section C

1,999

55

1

102

104

10.1107/S0108270198010415

0.71073

MoKα

0.0658

0.0381

null

0.1184

0.0923

null

0.901

1.067

null

has coordinates

Zhang, De-Chun; Fei, Zheng-Hao; Zhang, Tian-Zhu; Zhang, Yan-Qiu; Yu, Kai-Bei 1,3-Bis(3-nitrophenyl)triazene Acta Crystallographica Section C 55(1) (1999) 102-104

301,791

2025-08-18

23:15:32

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2,008,079

57.344

0.002

9.7802

0.0004

10.6263

0.0005

90

null

90

null

90

null

5,959.6

0.4

293

2

293

2

null

3

F d d 2

F 2 -2d

43

4-Methyl-7,7a,13a,14-tetrahydrobenzo[1,4]dioxino[2,3;6,7]naphtho[1,2-b] pyran-2-one.

- C20 H16 O4 -

- C320 H256 O64 -

16

1

HA1226

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

4-Methyl-7,7a,13a,14-tetrahydrobenzo[e]pyrano[2',3':5,6]naphtho[2,3-b][1,4]dioxin-2-one

Acta Crystallographica Section C

1,999

55

1

91

92

10.1107/S0108270198010427

0.71073

MoKα

0.1142

0.0653

null

0.1547

0.1317

null

1.042

1.134

null

has coordinates,has Fobs

Kandasamy Chinnakali; Hoong-Kun Fun; Kamaraj Sriraghavan; Vayalakkavoor T.Ramakrishnan; Ibrahim Abdul Razak 4-Methyl-7,7a,13a,14-tetrahydrobenzo[e]pyrano[2',3':5,6]naphtho[2,3-b][1,4]dioxin-2-one Acta Crystallographica Section C 55(1) (1999) 91-92

301,791

2025-08-18

23:15:32

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2,229,908

8.4395

0.0001

11.3701

0.0002

15.3559

0.0002

90

null

90

null

90

null

1,473.52

0.04

173

2

173

2

null

5

P 21 21 21

P 2ac 2ab

19

5-Ethyl-3-(3-fluorophenylsulfonyl)-2-methyl-1-benzofuran

- C17 H15 F O3 S -

- C68 H60 F4 O12 S4 -

4

1

BH2350

Choi, Hong Dae; Seo, Pil Ja; Son, Byeng Wha; Lee, Uk

5-Ethyl-3-(3-fluorophenylsulfonyl)-2-methyl-1-benzofuran

Acta Crystallographica Section E

2,011

67

5

o1278

10.1107/S1600536811015443

0.71073

MoKα

0.0341

0.0316

null

0.0754

0.0769

null

1.089

null

has coordinates,has Fobs

Choi, Hong Dae; Seo, Pil Ja; Son, Byeng Wha; Lee, Uk 5-Ethyl-3-(3-fluorophenylsulfonyl)-2-methyl-1-benzofuran Acta Crystallographica Section E 67(5) (2011) o1278

301,805

2025-08-19

13:58:39

#------------------------------------------------------------------------------ #$Date: 2025-08-19 16:18:28 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301805 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/22/99/2229908.cif $ #-------------------------------------------------------------------...

2,008,080

8.0204

0.0003

27.1881

0.0011

8.942

0.0004

90

null

106.332

0.001

90

null

1,871.21

0.13

293

2

293

2

null

6

P 1 21/c 1

-P 2ybc

14

Bis(3,5-dimethylpyrazole-N^2^)bis(thiocyanato-N)cobalt(II) monohydrate

- C12 H18 Co N6 O S2 -

- C48 H72 Co4 N24 O4 S8 -

4

1

HA1228

Xiao-Feng Chen; Shu-Hua Liu; Xiao-Zeng You; Hoong-Kun Fun; Kandasamy Chinnakali; Ibrahim Abdul Razak

Bis(3,5-dimethylpyrazole-N^2^)bis(thiocyanato-N)cobalt(II) monohydrate

Acta Crystallographica Section C

1,999

55

1

22

24

10.1107/S0108270198010142

0.71073

MoKα

0.064

0.059

null

0.135

0.132

null

1.264

1.304

null

has coordinates

Xiao-Feng Chen; Shu-Hua Liu; Xiao-Zeng You; Hoong-Kun Fun; Kandasamy Chinnakali; Ibrahim Abdul Razak Bis(3,5-dimethylpyrazole-N^2^)bis(thiocyanato-N)cobalt(II) monohydrate Acta Crystallographica Section C 55(1) (1999) 22-24

301,791

2025-08-18

23:15:32

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/80/2008080.cif $ #-------------------------------------------------------------------...

2,008,081

13.0323

0.0003

23.9443

0.0001

3.7927

0.0001

90

null

90

null

90

null

1,183.51

0.04

293

2

293

2

null

4

P n m a

-P 2ac 2n

62

2-Aminopyrimidine-Terephthalic acid (1:1) complex

- C12 H11 N3 O4 -

- C48 H44 N12 O16 -

4

0.5

HA1229

Shyamaprosad Goswami; Ajit Kumar Mahapatra; Kumaresh Ghosh; Gur Dayal Nigam; Kandasamy Chinnakali; Hoong-Kun Fun

2-Aminopyrimidine–terephthalic acid (1:1) complex

Acta Crystallographica Section C

1,999

55

1

87

89

10.1107/S0108270198010749

0.71073

MoKα

0.0532

0.0384

null

0.1055

0.0939

null

1.073

1.098

null

has coordinates,has Fobs

Shyamaprosad Goswami; Ajit Kumar Mahapatra; Kumaresh Ghosh; Gur Dayal Nigam; Kandasamy Chinnakali; Hoong-Kun Fun 2-Aminopyrimidine–terephthalic acid (1:1) complex Acta Crystallographica Section C 55(1) (1999) 87-89

301,791

2025-08-18

23:15:32

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/80/2008081.cif $ #-------------------------------------------------------------------...

2,008,082

5.3172

0.0001

15.3099

0.0003

15.3406

0.0001

90

null

91.846

0.001

90

null

1,248.17

0.03

293

2

293

2

null

4

P 1 21/c 1

-P 2ybc

14

2-Hydroxy-5-methyl-3-(morpholinomethyl)benzaldehyde

- C13 H17 N O3 -

- C52 H68 N4 O12 -

4

1

HA1231

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

2-Hydroxy-5-methyl-3-(morpholinomethyl)benzaldehyde, (I), and 4,4'-dimethyl-6,6'-bis(morpholinomethyl)-2,2'-(ethylenedinitrilodimethylidyne)diphenol, (II)

Acta Crystallographica Section C

1,999

55

1

94

97

10.1107/S0108270198010750

0.71073

MoKα

0.0667

0.049

null

0.1487

0.1355

null

1.07

1.143

null

has coordinates,has Fobs

S.Shanmuga Sundara Raj; R.Thirumurugan; G.Shanmugam; Hoong-Kun Fun; J.Manonmani; M.Kandaswamy 2-Hydroxy-5-methyl-3-(morpholinomethyl)benzaldehyde, (I), and 4,4'-dimethyl-6,6'-bis(morpholinomethyl)-2,2'-(ethylenedinitrilodimethylidyne)diphenol, (II) Acta Crystallographica Section C 55(1) (1999) 94-97

301,791

2025-08-18

23:15:32

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/80/2008082.cif $ #-------------------------------------------------------------------...

2,229,907

16.8864

0.0017

6.6653

0.0007

18.238

0.002

90

null

90

null

90

null

2,052.7

0.4

200

2

200

2

null

3

P b c a

-P 2ac 2ab

61

2-Hydroxy-6-isopropyl-3-methylbenzoic acid

- C11 H14 O3 -

- C88 H112 O24 -

8

1

BH2346

Betz, Richard; Gerber, Thomas; Schalekamp, Henk

2-Hydroxy-6-isopropyl-3-methylbenzoic acid

Acta Crystallographica Section E

2,011

67

5

o1063

10.1107/S1600536811011998

0.71073

MoKα

0.1226

0.0535

null

0.126

0.1542

null

0.991

null

has coordinates,has Fobs

Betz, Richard; Gerber, Thomas; Schalekamp, Henk 2-Hydroxy-6-isopropyl-3-methylbenzoic acid Acta Crystallographica Section E 67(5) (2011) o1063

301,805

2025-08-19

13:58:39

#------------------------------------------------------------------------------ #$Date: 2025-08-19 16:18:28 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301805 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/22/99/2229907.cif $ #-------------------------------------------------------------------...

2,008,083

11.1356

0.0005

9.5825

0.0005

12.4721

0.0006

90

null

98.828

0.002

90

null

1,315.09

0.11

293

2

293

2

null

4

P 1 21/c 1

-P 2ybc

14

4,4'-Dimethyl-6,6'-bis(morpholinomethyl)-2,2'-ethylene dinitrilodimethylidyne)diphenol

- C28 H38 N4 O4 -

- C56 H76 N8 O8 -

2

0.5

HA1231

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

2-Hydroxy-5-methyl-3-(morpholinomethyl)benzaldehyde, (I), and 4,4'-dimethyl-6,6'-bis(morpholinomethyl)-2,2'-(ethylenedinitrilodimethylidyne)diphenol, (II)

Acta Crystallographica Section C

1,999

55

1

94

97

10.1107/S0108270198010750

0.71073

MoKα

0.1268

0.0646

null

0.1749

0.1392

null

1.037

1.135

null

has coordinates,has Fobs

S.Shanmuga Sundara Raj; R.Thirumurugan; G.Shanmugam; Hoong-Kun Fun; J.Manonmani; M.Kandaswamy 2-Hydroxy-5-methyl-3-(morpholinomethyl)benzaldehyde, (I), and 4,4'-dimethyl-6,6'-bis(morpholinomethyl)-2,2'-(ethylenedinitrilodimethylidyne)diphenol, (II) Acta Crystallographica Section C 55(1) (1999) 94-97

301,791

2025-08-18

23:15:32

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2,008,084

7.797

0.0006

9.4921

0.0007

9.7074

0.0007

89.506

0.002

74.124

0.002

79.242

0.002

678.21

0.09

293

2

293

2

null

5

P -1

-P 1

2

o-Chlorobenzaldehyde Nicotinoylhydrazone Dihydrate

- C13 H14 Cl N3 O3 -

- C26 H28 Cl2 N6 O6 -

2

1

HA1232

Zhong-lin Lu; Bei-sheng Kang; Hoong-Kun Fun; Ibrahim Abdul Razak; Kandasamy Chinnakali

o-Chlorobenzaldehyde nicotinoylhydrazone dihydrate

Acta Crystallographica Section C

1,999

55

1

89

91

10.1107/S010827019801138X

0.71073

MoKα

0.0798

0.0535

null

0.1506

null

1.043

null

has coordinates,has Fobs

Zhong-lin Lu; Bei-sheng Kang; Hoong-Kun Fun; Ibrahim Abdul Razak; Kandasamy Chinnakali o-Chlorobenzaldehyde nicotinoylhydrazone dihydrate Acta Crystallographica Section C 55(1) (1999) 89-91

301,791

2025-08-18

23:15:32

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/80/2008084.cif $ #-------------------------------------------------------------------...

2,229,906

26.1607

0.0002

4.0565

0.0002

12.1435

0.0003

90

null

91.572

0.0001

90

null

1,288.19

0.07

296

2

296

2

null

6

P 1 21/c 1

-P 2ybc

14

2-[(1,3-Benzothiazol-2-yl)iminomethyl]-4-bromophenol

- C14 H9 Br N2 O S -

- C56 H36 Br4 N8 O4 S4 -

4

1

BH2345

Diao, Hai-Peng; Sun, Ti-Jian; Liu, Wen

2-[(1,3-Benzothiazol-2-yl)iminomethyl]-4-bromophenol

Acta Crystallographica Section E

2,011

67

5

o1096

10.1107/S160053681101275X

0.71073

MoKα

0.0828

0.0445

null

0.0995

0.1184

null

0.926

null

has coordinates,has Fobs

Diao, Hai-Peng; Sun, Ti-Jian; Liu, Wen 2-[(1,3-Benzothiazol-2-yl)iminomethyl]-4-bromophenol Acta Crystallographica Section E 67(5) (2011) o1096

301,805

2025-08-19

13:58:39

#------------------------------------------------------------------------------ #$Date: 2025-08-19 16:18:28 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301805 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/22/99/2229906.cif $ #-------------------------------------------------------------------...

2,008,085

9.3876

0.0001

12.4039

0.0002

12.755

0.0003

104.807

0.001

99.431

0.001

110.927

0.001

1,286.54

0.04

293

2

293

2

null

5

P -1

-P 1

2

1,2-bis(4-tert-butyl-pyridine-2-carboxamido)-4,5-dichlorobenzene

- C26 H28 Cl2 N4 O2 -

- C52 H56 Cl4 N8 O4 -

2

1

HA1233

Hoong-Kun Fun; Kandasamy Chinnakali; Ibrahim Abdul Razak; Zhen Shen; Jing-Lin Zuo; Xiao-Zeng You

N,N'-(4,5-Dichloro-o-phenylene)bis(4-tert-butylpyridine-2-carboxamide)

Acta Crystallographica Section C

1,999

55

1

99

100

10.1107/S0108270198011445

0.71073

MoKα

0.129

0.075

null

0.176

null

1.074

null

has coordinates

Hoong-Kun Fun; Kandasamy Chinnakali; Ibrahim Abdul Razak; Zhen Shen; Jing-Lin Zuo; Xiao-Zeng You N,N'-(4,5-Dichloro-o-phenylene)bis(4-tert-butylpyridine-2-carboxamide) Acta Crystallographica Section C 55(1) (1999) 99-100

301,791

2025-08-18

23:15:32

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2,008,086

13.3256

0.0005

6.9775

0.0003

13.9402

0.0006

90

null

113.881

0.002

90

null

1,185.19

0.09

293

2

293

2

null

5

P 1 21/n 1

-P 2yn

14

3-Methyl-4-amino-5-mercapto-1,2,4-triazole derivative of p-nitro phenylaldehyde

- C10 H9 N5 O2 S -

- C40 H36 N20 O8 S4 -

4

1

HA1234

Yuan-Fang Liu; Suchada Chantrapromma; S. Shanmuga Sundara Raj; Hoong-Kun Fun; Yin-Han Zhang; Fu-Xin Xie; Yu-Peng Tian; Shi-Sheng Ni

4-Amino-3-methyl-1,2,4-triazole-5-thione derivative of p-nitrophenylaldehyde

Acta Crystallographica Section C

1,999

55

1

93

94

10.1107/S0108270198010762

0.71073

MoKα

0.1853

0.0773

null

0.1687

0.1301

null

1.036

1.23

null

has coordinates,has Fobs

Yuan-Fang Liu; Suchada Chantrapromma; S. Shanmuga Sundara Raj; Hoong-Kun Fun; Yin-Han Zhang; Fu-Xin Xie; Yu-Peng Tian; Shi-Sheng Ni 4-Amino-3-methyl-1,2,4-triazole-5-thione derivative of p-nitrophenylaldehyde Acta Crystallographica Section C 55(1) (1999) 93-94

301,791

2025-08-18

23:15:32

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2,008,087

17.174

0.003

8.9483

0.0016

22.132

0.004

90

null

99.313

0.013

90

null

3,356.4

1

293

2

293

2

null

4

P 1 21/c 1

-P 2ybc

14

octacarbonyl-1κ^3^C,2κ^3^C,3κ^2^C-bis(μ~3~-3,3-diphenylallenylidene -1:2κ^2^C^1^:3(1,2-η^2^))-triangulo-triiron(0)(3 Fe‒Fe)

- C38 H20 Fe3 O8 -

- C152 H80 Fe12 O32 -

4

1

JZ1302

Zachara, Janusz; Zimniak, Andrzej

A new polymorph of a carbonyliron complex from tetraphenylhexapentaene: bis(μ~3~,η^2^,σ^2^-diphenylallenylidene)octacarbonyltriiron

Acta Crystallographica Section C

1,999

55

1

58

60

10.1107/S010827019801107X

0.71073

MoKα

0.037

0.029

null

0.074

0.071

0.074

null

1.033

null

1.033

null

has coordinates,has Fobs

Zachara, Janusz; Zimniak, Andrzej A new polymorph of a carbonyliron complex from tetraphenylhexapentaene: bis(μ~3~,η^2^,σ^2^-diphenylallenylidene)octacarbonyltriiron Acta Crystallographica Section C 55(1) (1999) 58-60

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/80/2008087.cif $ #-------------------------------------------------------------------...

2,008,088

10.2987

0.0008

10.1307

0.0006

11.1151

0.0008

90

null

115.338

0.007

90

null

1,048.11

0.14

293

2

293

2

null

5

P 1 21/n 1

-P 2yn

14

1,3,-Diamino-5-ammonio-1,3,5-trideoxy-cis-inositol iodide

- C6 H16 I N3 O3 -

- C24 H64 I4 N12 O12 -

4

1

JZ1311

Guido J. Reiß; Kaspar Hegetschweiler; Jürgen Sander

1,3-Diamino-5-ammonio-1,3,5-trideoxy-cis-inositol iodide

Acta Crystallographica Section C

1,999

55

1

123

126

10.1107/S0108270198009974

0.71073

MoKα

0.027

0.025

null

0.058

null

1.079

null

has coordinates,has Fobs

Guido J. Reiß; Kaspar Hegetschweiler; Jürgen Sander 1,3-Diamino-5-ammonio-1,3,5-trideoxy-cis-inositol iodide Acta Crystallographica Section C 55(1) (1999) 123-126

301,791

2025-08-18

23:15:32

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/80/2008088.cif $ #-------------------------------------------------------------------...

2,229,905

6.094

0.0002

18.157

0.0006

10.074

0.0003

90

null

90.696

0.001

90

null

1,114.59

0.06

296

2

296

2

null

4

P 1 21/c 1

-P 2ybc

14

3-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-1,3-oxazolidin-2-one

- C12 H13 N3 O2 -

- C48 H52 N12 O8 -

4

1

BH2341

Brancatelli, Giovanna; Nicoló, Francesco; De Grazia, Sara; Monforte, Anna Maria; Chimirri, Alba

3-[2-(1H-1,3-Benzodiazol-2-yl)ethyl]-1,3-oxazolidin-2-one

Acta Crystallographica Section E

2,011

67

5

o1083

10.1107/S1600536811012256

0.71073

MoKα

0.0343

0.0325

null

0.089

null

1.048

null

has coordinates,has Fobs

Brancatelli, Giovanna; Nicoló, Francesco; De Grazia, Sara; Monforte, Anna Maria; Chimirri, Alba 3-[2-(1H-1,3-Benzodiazol-2-yl)ethyl]-1,3-oxazolidin-2-one Acta Crystallographica Section E 67(5) (2011) o1083

301,805

2025-08-19

13:58:38

#------------------------------------------------------------------------------ #$Date: 2025-08-19 16:18:28 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301805 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/22/99/2229905.cif $ #-------------------------------------------------------------------...

2,008,089

15.0798

0.0016

7.5653

0.0005

12.6522

0.0014

90

null

114.212

0.011

90

null

1,316.4

0.2

173

2

173

2

null

5

P 1 21/c 1

-P 2ybc

14

Polymeric aqua(N-ethylurea-O)(N-pyruvidene-β-alaninato-O,N,O')copper(II)

- C9 H17 Cu N3 O6 -

- C36 H68 Cu4 N12 O24 -

4

1

JZ1313

Warda, Salam A.

Polymeric aqua(N-ethylurea-O)(N-pyruvidene-β-alaninato-O,N,O')copper(II)

Acta Crystallographica Section C

1,999

55

1

52

54

10.1107/S0108270198010166

0.71073

MoKα

null

0.029

null

0.059

null

0.903

null

has coordinates

Warda, Salam A. Polymeric aqua(N-ethylurea-O)(N-pyruvidene-β-alaninato-O,N,O')copper(II) Acta Crystallographica Section C 55(1) (1999) 52-54

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/80/2008089.cif $ #-------------------------------------------------------------------...

2,008,090

8.0916

0.0009

8.0916

0.0009

30.078

0.004

90

null

90

null

90

null

1,969.3

0.4

293

2

null

4

P 43 21 2

P 4nw 2abw

96

2-(2-Pyrrolyl)-benzothiazole

- C11 H8 N2 S -

- C88 H64 N16 S8 -

8

1

KA1289

Davidović, Naka; Matković-Čalogović, Dubravka; Popović, Zora; Fišer-Jakić, Lelja

2-(2-Pyrrolyl)-1,3-benzothiazole

Acta Crystallographica Section C

1,999

55

1

119

120

10.1107/S0108270198011731

0.71073

MoKα

0.2326

0.0552

null

0.0865

null

0.899

null

has coordinates,has Fobs

Davidović, Naka; Matković-Čalogović, Dubravka; Popović, Zora; Fišer-Jakić, Lelja 2-(2-Pyrrolyl)-1,3-benzothiazole Acta Crystallographica Section C 55(1) (1999) 119-120

301,791

2025-08-18

23:15:32

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/80/2008090.cif $ #-------------------------------------------------------------------...

2,008,091

21.331

0.004

12.203

0.002

20.881

0.004

90

null

92.26

0.03

90

null

5,431.1

1.7

293

2

293

2

null

7

C 1 2/c 1

-C 2yc

15

(FN2O4)2

35,44-difluoro-6,9,23,26,38,41,47,50-octaoxa-3,12,20,29-tetraaza- pentacyclo[29.8(3,12)8(20,29)3(1,31)1(1,31)1(14,18)]dopentaconta -14,16,18(44),31,33,1(35)-hexene

- C42 H62 Cs2 F8 N4 O14 S2 -

- C168 H248 Cs8 F32 N16 O56 S8 -

4

0.5

KA1299

Plenio, Herbert; Hermann, Jorg

A cylindrical macrocycle with two caesium cations sandwiched between two diaza-18-crown-6 macrocycles

Acta Crystallographica Section C

1,999

55

1

62

64

10.1107/S0108270198011755

0.71069

MoKα

0.0588

0.0365

null

0.107

null

1.046

null

has coordinates

Plenio, Herbert; Hermann, Jorg A cylindrical macrocycle with two caesium cations sandwiched between two diaza-18-crown-6 macrocycles Acta Crystallographica Section C 55(1) (1999) 62-64

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/80/2008091.cif $ #-------------------------------------------------------------------...

2,008,092

7.3502

0.0013

12.0783

0.0015

12.476

0.007

80.28

0.03

79.53

0.03

72.713

0.013

1,032.1

0.6

293

null

6

P -1

-P 1

2

Chloro-(N,N'-bis(2-methylpyridyl)-1,5-diazacyclooctane) nickel(II) perchlorate

- C18 H24 Cl2 N4 Ni O4 -

- C36 H48 Cl4 N8 Ni2 O8 -

2

1

LN1060

Bu, Xian-He; Fang, Ya-Yin; Shang, Zhi-Liang; Zhang, Ruo-Hua; Zhu, Hong-Ping; Liu, Qiu-Tian

[1,5-Bis(2-pyridylmethyl-N)-1,5-diazacyclooctane-N,N']chloronickel(II) perchlorate

Acta Crystallographica Section C

1,999

55

1

39

41

10.1107/S0108270198010841

0.71073

MoKα

null

0.0481

null

0.0609

null

1.21

null

has coordinates

Bu, Xian-He; Fang, Ya-Yin; Shang, Zhi-Liang; Zhang, Ruo-Hua; Zhu, Hong-Ping; Liu, Qiu-Tian [1,5-Bis(2-pyridylmethyl-N)-1,5-diazacyclooctane-N,N']chloronickel(II) perchlorate Acta Crystallographica Section C 55(1) (1999) 39-41

176,435

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/80/2008092.cif $ #-------------------------------------------------------------------...

2,008,093

7.532

0.005

13.278

0.002

23.7103

0.001

90

null

90

null

90

null

2,371.3

1.6

122

0.5

122

2

null

4

P b c a

-P 2ac 2ab

61

1-(2-nitrophenyl)-4-phenylbutadiyne

- C16 H9 N O2 -

- C128 H72 N8 O16 -

8

1

LN1068

Hanne Skov Bengaard; Sine Larsen; Henning Osholm Sørensen; Kathryn J. Robinson; John D. Wallis

Interaction between an oxygen and an alkynyl-carbon atom in 1-(2-nitrophenyl)-4-phenylbutadiyne

Acta Crystallographica Section C

1,999

55

1

106

108

10.1107/S0108270198010853

1.5418

CuKα

0.0385

0.0364

null

0.0888

0.0885

null

3.456

3.572

null

has coordinates

Hanne Skov Bengaard; Sine Larsen; Henning Osholm Sørensen; Kathryn J. Robinson; John D. Wallis Interaction between an oxygen and an alkynyl-carbon atom in 1-(2-nitrophenyl)-4-phenylbutadiyne Acta Crystallographica Section C 55(1) (1999) 106-108

301,791

2025-08-18

23:15:32

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/80/2008093.cif $ #-------------------------------------------------------------------...

2,008,094

8.956

0.002

11.76

0.003

8.781

0.002

103.2

0.03

108.6

0.04

91.4

0.03

848.6

0.4

293

2

293

2

null

5

P -1

-P 1

2

N-Methylpiperazinium Trichloro(N-methylpiperazine-N^1^)cobaltate(II)

- C10 H25 Cl3 Co N4 -

- C20 H50 Cl6 Co2 N8 -

2

1

NA1379

Marzotto, Armando; Clemente, Dore Augusto; Valle, Giovanni

Cobalt(II) complexes of piperazine and derivatives: 1-methylpiperazin-4-ium trichloro(1-methylpiperazine-N^4^)cobaltate(II)

Acta Crystallographica Section C

1,999

55

1

43

46

10.1107/S0108270198009603

0.7107

MoKα

0.055

0.033

null

0.097

0.086

null

1.073

1.097

null

has coordinates

Marzotto, Armando; Clemente, Dore Augusto; Valle, Giovanni Cobalt(II) complexes of piperazine and derivatives: 1-methylpiperazin-4-ium trichloro(1-methylpiperazine-N^4^)cobaltate(II) Acta Crystallographica Section C 55(1) (1999) 43-46

301,791

2025-08-18

23:15:32

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/80/2008094.cif $ #-------------------------------------------------------------------...

2,008,095

12.406

0.002

14.313

0.002

15.299

0.002

90

null

90

null

90

null

2,716.6

0.7

300

null

4

C 2 2 21

C 2c 2

20

(R)-1,1'-binaphthyl-2,2'-diol-(R,R)-1,2-cyclohexanediamine-toluene (1/1/1)

- C33 H36 N2 O2 -

- C33 H44 N2 O2 -

- C132 H176 N8 O8 -

4

0.5

OA1035

Fukushima, Shigeru; Hosomi, Hiroyuki; Ohba, Shigeru; Kawashima, Masatoshi

Diastereomeric complexes of 1,1'-binaphthyl-2,2'-diol and (R,R)-1,2-cyclohexanediamine

Acta Crystallographica Section C

1,999

55

1

120

123

10.1107/S010827019800105X

0.71073

MoKα

null

0.076

null

0.086

null

1.41

null

has coordinates

Fukushima, Shigeru; Hosomi, Hiroyuki; Ohba, Shigeru; Kawashima, Masatoshi Diastereomeric complexes of 1,1'-binaphthyl-2,2'-diol and (R,R)-1,2-cyclohexanediamine Acta Crystallographica Section C 55(1) (1999) 120-123

176,759

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4,322,055

13.531

0.001

16.578

0.002

17.199

0.002

100.06

0.02

112.15

0.02

112.01

0.02

3,080.4

1.2

100

2

100

2

null

7

P -1

-P 1

2

- C138 H166 B2 Fe2 Ge N12 S6 -

1

0.5

Thorsten Glaser; Eckhard Bill; Thomas Weyhermüller; Wolfram Meyer-Klaucke; Karl Wieghardt

Sn(III) and Ge(III) in the Thiophenolato-Bridged Complexes [LFeSnFeL]n+ and [LFeGeFeL]n+ (n = 2, 3; L = 1,4,7-(4-tert-Butyl-2-mercaptobenzyl)-1,4,7-triazacyclononane)

Inorganic Chemistry

1,999

38

2632

2642

10.1021/ic9902018

0.71073

MoKα

0.1612

0.0792

null

0.1896

0.1366

null

1.075

1.105

null

has coordinates,has disorder

Thorsten Glaser; Eckhard Bill; Thomas Weyhermüller; Wolfram Meyer-Klaucke; Karl Wieghardt Sn(III) and Ge(III) in the Thiophenolato-Bridged Complexes [LFeSnFeL]n+ and [LFeGeFeL]n+ (n = 2, 3; L = 1,4,7-(4-tert-Butyl-2-mercaptobenzyl)-1,4,7-triazacyclononane) Inorganic Chemistry 38 (1999) 2632-2642

179,323

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2,008,096

8.056

0.001

13.552

0.001

10.822

0.001

90

null

111.53

0.01

90

null

1,099.1

0.2

300

null

4

P 1 21 1

P 2yb

4

(S)-2,2'-dihydroxy-1,1'-binaphthyl (R,R)-1,2-cyclohexanediamine

- C26 H28 N2 O2 -

- C52 H56 N4 O4 -

2

1

OA1035

Fukushima, Shigeru; Hosomi, Hiroyuki; Ohba, Shigeru; Kawashima, Masatoshi

Diastereomeric complexes of 1,1'-binaphthyl-2,2'-diol and (R,R)-1,2-cyclohexanediamine

Acta Crystallographica Section C

1,999

55

1

120

123

10.1107/S010827019800105X

0.71073

MoKα

null

0.056

null

0.065

null

1

null

has coordinates

Fukushima, Shigeru; Hosomi, Hiroyuki; Ohba, Shigeru; Kawashima, Masatoshi Diastereomeric complexes of 1,1'-binaphthyl-2,2'-diol and (R,R)-1,2-cyclohexanediamine Acta Crystallographica Section C 55(1) (1999) 120-123

301,791

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23:15:32

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2,008,097

12.146

0.003

12.682

0.006

10.842

0.008

115.26

0.04

93.17

0.04

86.49

0.03

1,506.7

1.5

295

null

295

null

6

P 1

1

- C27 H37 N3 O4 S3 Zn -

- C54 H74 N6 O8 S6 Zn2 -

2

OA1049

Nakai, Hiroshi; Kobayashi, Shinobu; Ozaki, Mamoru; Hayase, Yoshio; Takeda, Reiji

Micacocidin A

Acta Crystallographica Section C

1,999

55

1

54

56

10.1107/S0108270198010920

0.7107

MoKα

0.055

null

0.065

null

1

null

has coordinates

Nakai, Hiroshi; Kobayashi, Shinobu; Ozaki, Mamoru; Hayase, Yoshio; Takeda, Reiji Micacocidin A Acta Crystallographica Section C 55(1) (1999) 54-56

176,435

2020-10-21

18:00:00

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2,008,098

15.146

0.006

10.936

0.004

4.328

0.001

90

null

97.5

0.02

90

null

710.7

0.4

296

null

3

P 1 21/a 1

-P 2yab

14

- C7 H6 N4 -

- C28 H24 N16 -

4

1

OA1063

Takehiro Matsunaga; Yoshio Ohno; Yoshiaki Akutsu; Mitsuru Arai; Masamitsu Tamura; Mitsuaki Iida

1-Phenyltetrazole

Acta Crystallographica Section C

1,999

55

1

129

131

10.1107/S0108270198009718

0.71073

MoKα

null

0.053

null

0.041

null

1.406

null

has coordinates

Takehiro Matsunaga; Yoshio Ohno; Yoshiaki Akutsu; Mitsuru Arai; Masamitsu Tamura; Mitsuaki Iida 1-Phenyltetrazole Acta Crystallographica Section C 55(1) (1999) 129-131

301,791

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2,008,099

19.87

0.007

4.731

0.007

14.813

0.007

90

null

121.98

0.04

90

null

1,181

2

296.2

null

296.2

null

3

P 1 21/a 1

-P 2yab

14

β phthalocyanine

- C32 H18 N8 -

- C64 H36 N16 -

2

0.5

OA1066

Shinya Matsumoto; Keiji Matsuhama; Jin Mizuguchi

β Metal-free phthalocyanine

Acta Crystallographica Section C

1,999

55

1

131

133

10.1107/S0108270198011020

0.7107

MoKα

0.1018

0.0552

null

0.0688

0.0592

null

1.124

1.182

null

has coordinates,has Fobs

Shinya Matsumoto; Keiji Matsuhama; Jin Mizuguchi β Metal-free phthalocyanine Acta Crystallographica Section C 55(1) (1999) 131-133

176,759

2020-10-21

18:00:00

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2,008,100

4.1662

0.0003

4.1662

0.0003

8.2085

0.0007

90

null

90

null

90

null

142.477

0.019

293

2

293

2

null

4

P 4/m m m

-P 4 2

123

- Ba Nb3.47 O6 Ti0.53 -

- Ba Nb3.466 O6 Ti0.534 -

1

0.0625

OS1024

Svensson, Gunnar; Eriksson, Lars

BaNb~4-x~Ti~x~O~6~ (x = 0.53)

Acta Crystallographica Section C

1,999

55

1

17

19

10.1107/S0108270198010932

0.71073

MoKα

0.021

0.016

null

0.028

null

0.027

null

1.128

null

1.185

null

has coordinates,has Fobs

Svensson, Gunnar; Eriksson, Lars BaNb~4-x~Ti~x~O~6~ (x = 0.53) Acta Crystallographica Section C 55(1) (1999) 17-19

176,759

2020-10-21

18:00:00

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2,008,101

8.2535

0.0001

9.2084

0.0001

5.161

0.0001

90

null

90

null

90

null

392.244

0.01

293

null

293

null

4

I m m 2

I 2 -2

44

- Ba Ca Ga4 O8 -

- Ba2 Ca2 Ga8 O16 -

2

0.25

OS1030

Shun-ich Kubota; Hisanori Yamane; Masahiko Shimada

A powder diffraction study of BaCaGa~4~O~8~

Acta Crystallographica Section C

1,999

55

1

14

17

10.1107/S0108270198010178

1.54056

CuKα

null

has coordinates

Shun-ich Kubota; Hisanori Yamane; Masahiko Shimada A powder diffraction study of BaCaGa~4~O~8~ Acta Crystallographica Section C 55(1) (1999) 14-17

176,435

2020-10-21

18:00:00

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2,008,102

27.447

0.009

20.311

0.006

18.718

0.005

90

null

90

null

90

null

10,435

5

193

2

193

2

null

6

P c c n

-P 2ab 2ac

56

aquatetrakis[(4-chlorobenzoato)-μ~3~-(2-dimethylaminoethanolato)- copper(II)] hydrate

- C44 H60 Cl4 Cu4 N4 O14 -

- C352 H480 Cl32 Cu32 N32 O112 -

8

1

OS1032

Turpeinen, Urho; Hämälänen, Reijo; Mutikainen, Ilpo

Aquatetrakis[(4-chlorobenzoato)(μ~3~-2-dimethylaminoethanolato)copper(II)] hydrate

Acta Crystallographica Section C

1,999

55

1

50

52

10.1107/S0108270198011457

0.71073

MoKα

0.114

0.075

null

0.133

0.147

null

1.031

null

has coordinates

Turpeinen, Urho; Hämälänen, Reijo; Mutikainen, Ilpo Aquatetrakis[(4-chlorobenzoato)(μ~3~-2-dimethylaminoethanolato)copper(II)] hydrate Acta Crystallographica Section C 55(1) (1999) 50-52

176,759

2020-10-21

18:00:00

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2,008,103

12.3698

0.0005

12.3698

0.0005

49.306

0.003

90

null

90

null

90

null

7,544.4

0.6

100

2

100

2

null

6

P 41

P 4w

76

Ru-bis(terpyridine)(PF~6~)~2~

Bis(2,2',6':2''-terpyridine)Ru(II)(PF~6~)~2~ acetonitrile solvate

- C34 H28 F12 N8 P2 Ru -

- C272 H224 F96 N64 P16 Ru8 -

8

2

OS1037

Kianosh Lashgari; Mikael Kritikos; Rolf Norrestam; Thomas Norrby

Bis(terpyridine)ruthenium(II) bis(hexafluorophosphate) diacetonitrile solvate

Acta Crystallographica Section C

1,999

55

1

64

67

10.1107/S0108270198011378

0.71073

MoKα

0.0579

0.0543

null

0.1481

null

1.064

null

has coordinates,has disorder

Kianosh Lashgari; Mikael Kritikos; Rolf Norrestam; Thomas Norrby Bis(terpyridine)ruthenium(II) bis(hexafluorophosphate) diacetonitrile solvate Acta Crystallographica Section C 55(1) (1999) 64-67

301,791

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23:15:32

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4,322,054

15.772

0.002

17.527

0.002

20.096

0.003

72.95

0.02

79.09

0.02

68.5

0.02

4,920.6

1.4

173

2

173

2

null

8

P -1

-P 1

2

- C91.5 H135 Cl3 Fe2 N6 O16.5 S6 Sn -

- C91.5 H126 Cl3 Fe2 N6 O16.5 S6 Sn -

- C183 H252 Cl6 Fe4 N12 O33 S12 Sn2 -

2

1

Thorsten Glaser; Eckhard Bill; Thomas Weyhermüller; Wolfram Meyer-Klaucke; Karl Wieghardt

Sn(III) and Ge(III) in the Thiophenolato-Bridged Complexes [LFeSnFeL]n+ and [LFeGeFeL]n+ (n = 2, 3; L = 1,4,7-(4-tert-Butyl-2-mercaptobenzyl)-1,4,7-triazacyclononane)

Inorganic Chemistry

1,999

38

2632

2642

10.1021/ic9902018

0.71073

MoKα

0.0957

0.0558

null

0.1536

0.1098

null

1.103

1.012

null

has coordinates

Thorsten Glaser; Eckhard Bill; Thomas Weyhermüller; Wolfram Meyer-Klaucke; Karl Wieghardt Sn(III) and Ge(III) in the Thiophenolato-Bridged Complexes [LFeSnFeL]n+ and [LFeGeFeL]n+ (n = 2, 3; L = 1,4,7-(4-tert-Butyl-2-mercaptobenzyl)-1,4,7-triazacyclononane) Inorganic Chemistry 38 (1999) 2632-2642

179,323

2020-10-21

18:00:00

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2,008,104

10.794

0.003

5.054

0.002

27.143

0.01

90

null

90.26

0.05

90

null

1,480.7

0.9

193

2

193

2

null

3

C 1 2/c 1

-C 2yc

15

(2SR,5RR,6RR,9SR)-1,2,5,6,9,10-hexachlorodecane

- C10 H16 Cl6 -

- C40 H64 Cl24 -

4

0.5

QA0048

Frenzen, Gerlinde; Sippel, Heike; Coelhan, Mehmet

The relative configuration of a stereoisomer of 1,2,5,6,9,10-hexachlorodecane

Acta Crystallographica Section C

1,999

55

1

IUC9800079

10.1107/S0108270199099965

0.71073

MoKα

0.068

0.051

null

0.146

null

1.062

null

has coordinates

Frenzen, Gerlinde; Sippel, Heike; Coelhan, Mehmet The relative configuration of a stereoisomer of 1,2,5,6,9,10-hexachlorodecane Acta Crystallographica Section C 55(1) (1999) IUC9800079

301,791

2025-08-18

23:15:32

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2,008,105

7.0459

0.0014

9.3399

0.0014

12.913

0.003

90

null

92.72

0.02

90

null

848.8

0.3

180

2

180

2

null

6

P 1 21/n 1

-P 2yn

14

m-Azidobenzensulfonyl chloride

- C6 H4 Cl N3 O2 S -

- C24 H16 Cl4 N12 O8 S4 -

4

1

QA0068

Ziemer, Burkhard; Sauer, Erika

m-Azidobenzenesulfonyl chloride

Acta Crystallographica Section C

1,999

55

1

IUC9800074

10.1107/S0108270199099953

0.71073

MoKα

0.037

0.032

null

0.094

0.086

null

1.037

1.079

null

has coordinates

Ziemer, Burkhard; Sauer, Erika m-Azidobenzenesulfonyl chloride Acta Crystallographica Section C 55(1) (1999) IUC9800074

301,791

2025-08-18

23:15:32

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2,008,106

11.329

0.003

6.6648

0.0016

12.995

0.003

90

null

112.821

0.016

90

null

904.4

0.4

120

2

120

2

null

2

P 1 21/n 1

-P 2yn

14

6,7-Dimethyltricyclo[3.2.2.0]non-6-ene

- C11 H16 -

- C44 H64 -

4

1

QA0072

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

6,7-Dimethyltricyclo[3.2.2.0]non-6-ene at 120 K, a [3.2.2]propellane derivative

Acta Crystallographica Section C

1,999

55

1

IUC9800075

10.1107/S0108270199099941

0.71073

MoKα

0.0546

0.0467

null

0.1347

null

1.056

null

has coordinates

Boese, Roland; Roth, Wolfgang R.; Bläser, Dieter; Latz, Rüdiger; Bäumen, Anja 6,7-Dimethyltricyclo[3.2.2.0]non-6-ene at 120 K, a [3.2.2]propellane derivative Acta Crystallographica Section C 55(1) (1999) IUC9800075

301,791

2025-08-18

23:15:32

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2,008,107

13.455

0.005

30.61

0.01

6.694

0.005

90

null

90

null

90

null

2,757

2

293

null

3

P 21 21 21

P 2ac 2ab

19

(1R,2R,5S,7R,8R)-2,6,6,8-tetramethyl-8-hydroxy tricyclo[5.3.1^1,7^.0^1,5^]undecan-9-one

- C30 H48 O4 -

- C120 H192 O16 -

4

1

QA0073

Ai, Hui; Song, Yi-Lin; Tao, Feng-Gang

8-Hydroxycedran-9-one

Acta Crystallographica Section C

1,999

55

1

IUC9800080

10.1107/S010827019909993X

0.7107

MoKα

null

0.056

null

0.057

null

1.73

null

has coordinates

Ai, Hui; Song, Yi-Lin; Tao, Feng-Gang 8-Hydroxycedran-9-one Acta Crystallographica Section C 55(1) (1999) IUC9800080

301,791

2025-08-18

23:15:32

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/81/2008107.cif $ #-------------------------------------------------------------------...

2,008,108

8.649

0.002

9.679

0.002

15.721

0.002

90

null

94.82

0.01

90

null

1,311.4

0.4

293.2

null

293.2

null

4

P 1 21/c 1

-P 2ybc

14

- C12 H4 O2 S5 -

- C48 H16 O8 S20 -

4

1

QA0074

Ueda, Kazumasa; Iwamatsu, Masaki; Sugimoto, Toyonari

1,3,4,6-Tetrathiapentalene-5-spiro-2'-indan-2,1',3'-trione and its 2-thione analogue

Acta Crystallographica Section C

1,999

55

1

IUC9800077

10.1107/S0108270199099928

1.5418

CuKα

0.041

null

0.061

null

1.272

null

has coordinates

Ueda, Kazumasa; Iwamatsu, Masaki; Sugimoto, Toyonari 1,3,4,6-Tetrathiapentalene-5-spiro-2'-indan-2,1',3'-trione and its 2-thione analogue Acta Crystallographica Section C 55(1) (1999) IUC9800077

301,791

2025-08-18

23:15:32

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/81/2008108.cif $ #-------------------------------------------------------------------...

2,008,109

7.946

0.004

10.2

0.003

15.638

0.003

90

null

104.3

0.02

90

null

1,228.2

0.8

293.2

null

293.2

null

4

P 1 21/n 1

-P 2yn

14

- C12 H4 O3 S4 -

- C48 H16 O12 S16 -

4

1

QA0074

Ueda, Kazumasa; Iwamatsu, Masaki; Sugimoto, Toyonari

1,3,4,6-Tetrathiapentalene-5-spiro-2'-indan-2,1',3'-trione and its 2-thione analogue

Acta Crystallographica Section C

1,999

55

1

IUC9800077

10.1107/S0108270199099928

1.5418

CuKα

0.039

null

0.06

null

1.312

null

has coordinates

Ueda, Kazumasa; Iwamatsu, Masaki; Sugimoto, Toyonari 1,3,4,6-Tetrathiapentalene-5-spiro-2'-indan-2,1',3'-trione and its 2-thione analogue Acta Crystallographica Section C 55(1) (1999) IUC9800077

301,791

2025-08-18

23:15:32

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2,008,110

11.15

0.002

9.028

0.002

25.637

0.005

90

null

91.37

0.03

90

null

2,579.9

0.9

293

2

293

2

null

8

P 1 21/n 1

-P 2yn

14

(ClN2O4)2 - 2AgCF3SO3

μ-[35,44-dichloro-6,9,23,26,38,41,47,50-octaoxa-3,12,20,29-tetraaza- pentacyclo[29.8^3,12^.8^20,29^.3^1,31^.1^1,31^.1^14,18^]dopentaconta -14,16,18(44),31,33,1(35)-hexene]disilver(I) bis(triflate)

- C42 H62 Ag2 Cl2 F6 N4 O14 S2 -

- C84 H124 Ag4 Cl4 F12 N8 O28 S4 -

2

0.5

QA0077

Plenio, Herbert; Diodone, Ralph

A cylindrical macrocycle with two diaza-18-crown-6 macrocycles encapsulating two silver cations

Acta Crystallographica Section C

1,999

55

1

IUC9800081

10.1107/S0108270199099990

0.71069

MoKα

0.038

0.028

null

0.072

null

1.042

null

has coordinates,has disorder,has Fobs

Plenio, Herbert; Diodone, Ralph A cylindrical macrocycle with two diaza-18-crown-6 macrocycles encapsulating two silver cations Acta Crystallographica Section C 55(1) (1999) IUC9800081

301,791

2025-08-18

23:15:32

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4,322,053

13.609

0.001

16.598

0.002

17.302

0.002

100.35

0.02

111.26

0.02

111.67

0.02

3,155.2

1.2

173

2

173

2

null

7

P -1

-P 1

2

- C138 H166 B2 Fe2 N12 S6 Sn -

1

0.5

Thorsten Glaser; Eckhard Bill; Thomas Weyhermüller; Wolfram Meyer-Klaucke; Karl Wieghardt

Sn(III) and Ge(III) in the Thiophenolato-Bridged Complexes [LFeSnFeL]n+ and [LFeGeFeL]n+ (n = 2, 3; L = 1,4,7-(4-tert-Butyl-2-mercaptobenzyl)-1,4,7-triazacyclononane)

Inorganic Chemistry

1,999

38

2632

2642

10.1021/ic9902018

0.71073

MoKα

0.0509

0.0438

null

0.119

0.1086

null

1.078

1.049

null

has coordinates

Thorsten Glaser; Eckhard Bill; Thomas Weyhermüller; Wolfram Meyer-Klaucke; Karl Wieghardt Sn(III) and Ge(III) in the Thiophenolato-Bridged Complexes [LFeSnFeL]n+ and [LFeGeFeL]n+ (n = 2, 3; L = 1,4,7-(4-tert-Butyl-2-mercaptobenzyl)-1,4,7-triazacyclononane) Inorganic Chemistry 38 (1999) 2632-2642

179,323

2020-10-21

18:00:00

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2,008,111

12.2502

0.0016

6.5155

0.0011

12.415

0.002

90

null

108.866

0.011

90

null

937.7

0.3

120

2

120

2

null

4

P 1 2/n 1

-P 2yac

13

Tricarbonyl(2,3,6,7-η)-(2,3-diylidenfurane)-iron(0)

- C9 H6 Fe O4 -

- C36 H24 Fe4 O16 -

4

1

QA0078

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

Tricarbonyl[(2,3,6,7-η)-2,3-dimethylene-2,3-dihydrofuran]iron(0) at 120K

Acta Crystallographica Section C

1,999

55

1

IUC9800082

10.1107/S0108270199099989

0.71073

MoKα

0.031

0.03

null

0.081

null

1.154

null

has coordinates

Boese, Roland; Roth, Wolfgang R.; Bläser, Dieter; Latz, Rüdiger; Bäumen, Anja Tricarbonyl[(2,3,6,7-η)-2,3-dimethylene-2,3-dihydrofuran]iron(0) at 120K Acta Crystallographica Section C 55(1) (1999) IUC9800082

176,759

2020-10-21

18:00:00

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2,008,112

8.146

0.001

8.927

0.001

9.29

0.001

101.14

0.01

100.95

0.01

102.78

0.01

627.01

0.13

293

2

293

2

null

5

P -1

-P 1

2

2-phenoxymethanesulfonanilide

- C13 H13 N O3 S -

- C26 H26 N2 O6 S2 -

2

1

QB0069

Chandramohan, Kattamuri; Ravikumar, Krishnan

A nimesulide intermediate

Acta Crystallographica Section C

1,999

55

1

IUC9800078

10.1107/S0108270199099916

0.71073

MoKα

0.051

0.04

null

0.116

0.108

null

1.036

1.06

null

has coordinates

Chandramohan, Kattamuri; Ravikumar, Krishnan A nimesulide intermediate Acta Crystallographica Section C 55(1) (1999) IUC9800078

301,791

2025-08-18

23:15:32

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/81/2008112.cif $ #-------------------------------------------------------------------...

2,008,113

15.193

0.002

15.193

0.002

17.273

0.003

90

null

90

null

90

null

3,987.1

1

100

null

100

null

5

I -4 c 2

I -4 -2c

120

Bis(μ-hydroxo)tris(trimethyltin) iodide

- C9 H29 I O2 Sn3 -

- C72 H232 I8 O16 Sn24 -

8

0.5

QB0070

Saurage, Andrea S.; Billodeaux, Damon R.; Hammer, Robert P.; Fronczek, Frank R.

Di-μ-hydroxo-tris(trimethyltin) iodide at 100K

Acta Crystallographica Section C

1,999

55

1

IUC9800076

10.1107/S0108270199099977

0.71073

MoKα

0.061

0.034

null

0.072

null

1.004

null

has coordinates

Saurage, Andrea S.; Billodeaux, Damon R.; Hammer, Robert P.; Fronczek, Frank R. Di-μ-hydroxo-tris(trimethyltin) iodide at 100K Acta Crystallographica Section C 55(1) (1999) IUC9800076

176,432

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176432 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/81/2008113.cif $ #-------------------------------------------------------------------...

2,008,114

9.0306

0.001

6.6484

0.001

12.8

0.002

90

null

96.88

0.01

90

null

762.97

0.19

293

2

293

2

null

3

P 1 21/c 1

-P 2ybc

14

Potassium bromoaurate

Potassium tetrabromoaurate III

- Au Br4 K -

- Au4 Br16 K4 -

4

1

SK1203

Omrani, Hedi; Welter, Richard; Vangelisti, Rene

Potassium tetrabromoaurate(III)

Acta Crystallographica Section C

1,999

55

1

13

14

10.1107/S010827019801110X

0.5608

AgKα

0.09

0.042

null

0.101

null

1.032

null

has coordinates,has disorder

Omrani, Hedi; Welter, Richard; Vangelisti, Rene Potassium tetrabromoaurate(III) Acta Crystallographica Section C 55(1) (1999) 13-14

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/2/00/81/2008114.cif $ #-------------------------------------------------------------------...

2,008,115

14.936

0.001

14.936

0.001

9.913

0.001

90

null

90

null

120

null

1,915.2

0.3

293

null

293

null

5

P -3

-P 3

147

(1,4,7-Tris(3-tert-butyl-5-methyl-2-hydroxybenzyl)-1,4, 7-triazacyclononanato-N,N',N'',O,O',O'')chromium(III)

- C42 H60 Cr N3 O3 -

- C84 H120 Cr2 N6 O6 -

2

0.333333

SK1214

Martin, Lisandra L.; Taylor, Max R.; Bei Wu

[1,4,7-Tris(3-tert-butyl-5-methyl-2-hydroxybenzyl)-1,4,7-triazacyclononanato-N,N',N'',O,O',O'']chromium(III)

Acta Crystallographica Section C

1,999

55

1

41

43

10.1107/S0108270198010956

0.71073

MoKα

0.074

0.062

null

0.095

0.091

null

1.237

1.247

null

has coordinates

Martin, Lisandra L.; Taylor, Max R.; Bei Wu [1,4,7-Tris(3-tert-butyl-5-methyl-2-hydroxybenzyl)-1,4,7-triazacyclononanato-N,N',N'',O,O',O'']chromium(III) Acta Crystallographica Section C 55(1) (1999) 41-43

301,791

2025-08-18

23:15:32

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/81/2008115.cif $ #-------------------------------------------------------------------...

2,008,116

9.202

0.001

18.87

0.003

19.138

0.002

90

null

90

null

90

null

3,323.2

0.7

298

null

5

P b c a

-P 2ac 2ab

61

- C18 H19 N O2 S2 -

- C144 H152 N8 O16 S16 -

8

1

SK1227

Hökelek, Tuncer; Patır, Süleyman; Uludağ, Nesi̇mi̇

9-Acetonyl-3-ethylidene-1,2,3,4-tetrahydrospiro[carbazole-1,2'-[1,3]dithiolan]-4-one

Acta Crystallographica Section C

1,999

55

1

114

116

10.1107/S0108270198011019

0.71073

MoKα

null

0.038

null

0.048

null

1.22

null

has coordinates

Hökelek, Tuncer; Patır, Süleyman; Uludağ, Nesi̇mi̇ 9-Acetonyl-3-ethylidene-1,2,3,4-tetrahydrospiro[carbazole-1,2'-[1,3]dithiolan]-4-one Acta Crystallographica Section C 55(1) (1999) 114-116

301,791

2025-08-18

23:15:32

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/81/2008116.cif $ #-------------------------------------------------------------------...

4,322,052

12.8549

0.0002

9.0875

0.0001

16.0023

0.0002

90

null

110.476

0.001

90

null

1,751.26

0.04

115

2

115

2

null

4

P 1 21/n 1

-P 2yn

14

- C17 H10 Cu3 N7 -

- C68 H40 Cu12 N28 -

4

1

Douglas J. Chesnut; Anakarin Kusnetzow; Robert R. Birge; Jon Zubieta

Solid State Coordination Chemistry of the Copper Halide- and Pseudo-Halide-Organoamine System, Cu-X-[(bis-2,3-(2-pyridyl)pyrazine)] (X = Cl, Br, CN): Hydrothermal Synthesis and Structural Characterization

Inorganic Chemistry

1,999

38

2663

2671

10.1021/ic990132x

0.71073

MoKα

0.0596

0.0406

null

0.0795

0.0859

null

1.067

null

has coordinates

Douglas J. Chesnut; Anakarin Kusnetzow; Robert R. Birge; Jon Zubieta Solid State Coordination Chemistry of the Copper Halide- and Pseudo-Halide-Organoamine System, Cu-X-[(bis-2,3-(2-pyridyl)pyrazine)] (X = Cl, Br, CN): Hydrothermal Synthesis and Structural Characterization Inorganic Chemistry 38 (1999) 2663-2671

179,323

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:20:49 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179323 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/20/4322052.cif $ #-------------------------------------------------------------------...

2,008,117

13.7343

0.0002

6.1274

0.0002

25.2459

0.0007

90

null

92.277

0.001

90

null

2,122.91

0.1

203

2

203

2

null

3

C 1 2 1

C 2y

5

Scalarolide

12β-hydroxyscalar-17-en-20,19-olide

- C25 H38 O3 -

- C100 H152 O12 -

4

1

SX1072

Cambie, Richard C.; Rickard, Clifton E. F.; Rutledge, P. Stewart; Yang, Xiao-Shuang

Scalarolide and scalarin, sesterterpenes from Cacospongia and Ircinia sponges

Acta Crystallographica Section C

1,999

55

1

112

114

10.1107/S0108270198011305

0.71073

MoKα

0.1057

0.085

null

0.226

0.2453

null

1.072

null

has coordinates

Cambie, Richard C.; Rickard, Clifton E. F.; Rutledge, P. Stewart; Yang, Xiao-Shuang Scalarolide and scalarin, sesterterpenes from Cacospongia and Ircinia sponges Acta Crystallographica Section C 55(1) (1999) 112-114

301,791

2025-08-18

23:15:32

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/81/2008117.cif $ #-------------------------------------------------------------------...

2,008,118

6.3833

0.0003

10.9108

0.0006

37.2967

0.0019

90

null

90

null

90

null

2,597.6

0.2

203

2

203

2

null

3

P 21 21 21

P 2ac 2ab

19

Scalarin

12α-acetoxy-19α-hydroxyscalar-19,20-olide methanol solvate

- C28 H44 O6 -

- C112 H176 O24 -

4

1

SX1072

Cambie, Richard C.; Rickard, Clifton E. F.; Rutledge, P. Stewart; Yang, Xiao-Shuang

Scalarolide and scalarin, sesterterpenes from Cacospongia and Ircinia sponges

Acta Crystallographica Section C

1,999

55

1

112

114

10.1107/S0108270198011305

0.71073

MoKα

0.0934

0.0565

null

0.1346

null

1.076

null

has coordinates,has Fobs

Cambie, Richard C.; Rickard, Clifton E. F.; Rutledge, P. Stewart; Yang, Xiao-Shuang Scalarolide and scalarin, sesterterpenes from Cacospongia and Ircinia sponges Acta Crystallographica Section C 55(1) (1999) 112-114

301,791

2025-08-18

23:15:32

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/81/2008118.cif $ #-------------------------------------------------------------------...

2,008,119

9.233

0.005

12.952

0.003

13.943

0.005

90

0.3

105.93

0.01

90

null

1,603.4

1.1

293

2

293

2

null

4

P 1 21/c 1

-P 2ybc

14

1-isobutyl-2,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-3-indoleacetic acid

- C17 H25 N O3 -

- C68 H100 N4 O12 -

4

1

VJ1085

S. Deepthi; Vasantha Pattabhi; K.Nagarajan

1-Isobutyl-2,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-3-indoleacetic acid

Acta Crystallographica Section C

1,999

55

1

100

102

10.1107/S0108270198010373

1.5418

CuKα

0.0421

0.0361

null

0.108

0.1031

null

1.102

1.142

null

has coordinates

S. Deepthi; Vasantha Pattabhi; K.Nagarajan 1-Isobutyl-2,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-3-indoleacetic acid Acta Crystallographica Section C 55(1) (1999) 100-102

301,791

2025-08-18

23:15:32

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/81/2008119.cif $ #-------------------------------------------------------------------...

2,008,120

7.713

0.002

8.674

0.001

28.325

0.006

90

null

90

null

90

null

1,895

0.7

293

2

293

2

null

4

P 21 21 21

P 2ac 2ab

19

Ter-butoxy carbonyl L-Leucyl-L-Threonyl amide

- C15 H29 N3 O5 -

- C15 H28 N3 O5 -

- C60 H112 N12 O20 -

4

1

VJ1089

S. Banumathi; D. Velmurugan; E. Subramanian; N. Ashish; R. Kishore

tert-Butoxycarbonyl-L-leucyl-L-threoninamide

Acta Crystallographica Section C

1,999

55

1

78

79

10.1107/S0108270198010385

1.5418

CuKα

0.0619

0.059

null

0.1759

null

1.008

null

has coordinates,has Fobs

S. Banumathi; D. Velmurugan; E. Subramanian; N. Ashish; R. Kishore tert-Butoxycarbonyl-L-leucyl-L-threoninamide Acta Crystallographica Section C 55(1) (1999) 78-79

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/2/00/81/2008120.cif $ #-------------------------------------------------------------------...

2,008,121

6.462

0.001

33.014

0.007

10.457

0.002

90

null

93.3

0.03

90

null

2,227.2

0.7

183

2

183

2

null

3

P 1 21 1

P 2yb

4

isoavarol diacetate

2-(perhydro-1,2,4a-trimethyl-5-methylene-1-naphthylmethyl)-p-phenylene diacetate

- C25 H34 O4 -

- C100 H136 O16 -

4

2

AV1024

Ilyin, Sergey G.; Shubina, Larisa K.; Stonik, Valentine A.; Antipin, Michael Yu.

Isoavarol diacetate

Acta Crystallographica Section C

1,999

55

2

266

268

10.1107/S0108270198010993

0.71069

MoKα

0.084

0.05

null

0.076

null

0.066

null

3.555

null

3.385

null

has coordinates

Ilyin, Sergey G.; Shubina, Larisa K.; Stonik, Valentine A.; Antipin, Michael Yu. Isoavarol diacetate Acta Crystallographica Section C 55(2) (1999) 266-268

301,791

2025-08-18

23:15:32

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/81/2008121.cif $ #-------------------------------------------------------------------...

2,008,122

5.621

0.001

8.766

0.001

4.797

0.001

90

null

90

null

90

null

236.37

0.07

293

2

293

2

null

5

P m n 21

P 2ac -2

31

cobalt ammonium hydrate phosphate

- Co H6 N O5 P -

- Co2 H12 N2 O10 P2 -

2

0.5

AV1025

Yakubovich, Olga V.; Karimova, Oksana V.; Dimitrova, Olga V.; Massa, Werner

Layer structure of (NH~4~)CoPO~4~

Acta Crystallographica Section C

1,999

55

2

151

153

10.1107/S0108270198011639

0.71073

MoKα

0.0152

0.0145

null

0.0368

null

1.145

null

has coordinates,has Fobs

Yakubovich, Olga V.; Karimova, Oksana V.; Dimitrova, Olga V.; Massa, Werner Layer structure of (NH~4~)CoPO~4~ Acta Crystallographica Section C 55(2) (1999) 151-153

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/2/00/81/2008122.cif $ #-------------------------------------------------------------------...

4,322,051

10.884

0.002

16.713

0.004

9.307

0.002

90

null

113.199

0.005

90

null

1,556.1

0.6

115

2

115

2

null

5

C 1 2/c 1

-C 2yc

15

- C14 H10 Br2 Cu2 N4 -

- C56 H40 Br8 Cu8 N16 -

4

0.5

Douglas J. Chesnut; Anakarin Kusnetzow; Robert R. Birge; Jon Zubieta

Solid State Coordination Chemistry of the Copper Halide- and Pseudo-Halide-Organoamine System, Cu-X-[(bis-2,3-(2-pyridyl)pyrazine)] (X = Cl, Br, CN): Hydrothermal Synthesis and Structural Characterization

Inorganic Chemistry

1,999

38

2663

2671

10.1021/ic990132x

0.71073

MoKα

0.0388

0.0344

null

0.0875

0.0898

null

1.05

null

has coordinates

Douglas J. Chesnut; Anakarin Kusnetzow; Robert R. Birge; Jon Zubieta Solid State Coordination Chemistry of the Copper Halide- and Pseudo-Halide-Organoamine System, Cu-X-[(bis-2,3-(2-pyridyl)pyrazine)] (X = Cl, Br, CN): Hydrothermal Synthesis and Structural Characterization Inorganic Chemistry 38 (1999) 2663-2671

179,323

2020-10-21

18:00:00

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2,008,123

14.348

0.006

11.493

0.006

13.936

0.006

90

null

95.43

0.04

90

null

2,287.8

1.8

293

2

293

2

null

6

C 1 2/c 1

-C 2yc

15

(4,4'-bipyridine)bis(1,3-diaminopropane)nickel(II) perchlorate

- C16 H28 Cl2 N6 Ni O8 -

- C64 H112 Cl8 N24 Ni4 O32 -

4

0.5

BK1408

Tong, Ye-Xiang; Tong, Ming-Liang; Yu, Xiao-Lan; Chen, Xiao-Ming

catena-Poly[[[bis(1,3-diaminopropane-N,N')nickel(II)]-μ-(4,4'-bipyridine-N:N')] diperchlorate]

Acta Crystallographica Section C

1,999

55

2

180

182

10.1107/S0108270198011482

0.71073

MoKα

0.046

0.035

null

0.091

0.084

null

1.07

1.106

null

has coordinates

Tong, Ye-Xiang; Tong, Ming-Liang; Yu, Xiao-Lan; Chen, Xiao-Ming catena-Poly[[[bis(1,3-diaminopropane-N,N')nickel(II)]-μ-(4,4'-bipyridine-N:N')] diperchlorate] Acta Crystallographica Section C 55(2) (1999) 180-182

176,759

2020-10-21

18:00:00

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2,008,124

9.2836

0.0012

11.4842

0.0013

13.7777

0.0012

106.896

0.002

90.436

0.003

93.93

0.002

1,401.6

0.3

295

null

5

P -1

-P 1

2

- C42 H28 N12 O41 Sm2 -

- C42 H30 N12 O42 Sm2 -

1

0.5

BM1246

Arici, Cengiz; Ülkü, Dinçer; Tahir, M. Nawaz; Ünaleroḡlu, Canan

Samarium 3,5-dinitrobenzoate dihydrate

Acta Crystallographica Section C

1,999

55

2

198

200

10.1107/S0108270198012323

0.71073

MoKα

null

0.035

null

0.038

null

1.12

null

has coordinates

Arici, Cengiz; Ülkü, Dinçer; Tahir, M. Nawaz; Ünaleroḡlu, Canan Samarium 3,5-dinitrobenzoate dihydrate Acta Crystallographica Section C 55(2) (1999) 198-200

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/2/00/81/2008124.cif $ #-------------------------------------------------------------------...

2,008,125

9.088

0.002

8.108

0.002

10.505

0.002

90

null

102.14

0.01

90

null

756.8

0.3

295

null

295

null

5

P 1 21/c 1

-P 2ybc

14

- C5 H10 N2 O3 S -

- C20 H40 N8 O12 S4 -

4

1

BM1255

Kennedy, Alan R.; Skellern, Graham G.; Pfirrmann, Rolf W.; Smail, Gordon A.; Shankland, Norman; Florence, Alastair J.

Two new compounds by reaction of taurolidine with methylene glycol

Acta Crystallographica Section C

1,999

55

2

232

234

10.1107/S0108270198008415

0.71069

MoKα

0.111

0.048

null

0.058

0.051

null

1.578

null

has coordinates

Kennedy, Alan R.; Skellern, Graham G.; Pfirrmann, Rolf W.; Smail, Gordon A.; Shankland, Norman; Florence, Alastair J. Two new compounds by reaction of taurolidine with methylene glycol Acta Crystallographica Section C 55(2) (1999) 232-234

301,791

2025-08-18

23:15:32

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2,008,126

14.53

0.001

8.0567

0.0008

15.928

0.002

90

null

101.642

0.008

90

null

1,826.2

0.3

295

null

295

null

5

P 1 21/n 1

-P 2yn

14

- C12 H24 N6 O6 S3 -

- C48 H96 N24 O24 S12 -

4

1

BM1255

Kennedy, Alan R.; Skellern, Graham G.; Pfirrmann, Rolf W.; Smail, Gordon A.; Shankland, Norman; Florence, Alastair J.

Two new compounds by reaction of taurolidine with methylene glycol

Acta Crystallographica Section C

1,999

55

2

232

234

10.1107/S0108270198008415

0.71069

MoKα

0.067

0.038

null

0.058

0.054

null

1.972

null

has coordinates

Kennedy, Alan R.; Skellern, Graham G.; Pfirrmann, Rolf W.; Smail, Gordon A.; Shankland, Norman; Florence, Alastair J. Two new compounds by reaction of taurolidine with methylene glycol Acta Crystallographica Section C 55(2) (1999) 232-234

301,791

2025-08-18

23:15:32

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2,008,127

10.6849

0.0002

15.7703

0.0004

17.7065

0.0004

89.543

0.001

72.857

0.001

71.607

0.001

2,693.49

0.11

293

2

293

2

null

6

P -1

-P 1

2

Trichloro(1,1'-bis(diphenylphosphine oxide)methane-p',p'')antimony(III)

- C25 H22 Cl3 O2 P2 Sb -

- C100 H88 Cl12 O8 P8 Sb4 -

4

2

BM1263

Ibrahim Abdul Razak; Hoong-Kun Fun; Bohari M. Yamin; Kandasamy Chinnakali; Hasbullah Zakaria; Norismaliza Binti Ismail

Trichloro[methylenebis(diphenylphosphine oxide-O)]antimony(III)

Acta Crystallographica Section C

1,999

55

2

172

174

10.1107/S0108270198012335

0.71073

MoKα

0.045

0.035

null

0.081

null

1.095

null

has coordinates

Ibrahim Abdul Razak; Hoong-Kun Fun; Bohari M. Yamin; Kandasamy Chinnakali; Hasbullah Zakaria; Norismaliza Binti Ismail Trichloro[methylenebis(diphenylphosphine oxide-O)]antimony(III) Acta Crystallographica Section C 55(2) (1999) 172-174

176,759

2020-10-21

18:00:00

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4,322,050

7.795

0.0001

8.857

null

11.1268

0.0002

72.2

null

83.05

0.001

73.832

0.001

701.954

0.016

115

2

115

2

null

6

P -1

-P 1

2

- C28 H24 Br2 Cu2 N8 O2 -

- C28 H20 Br2 Cu2 N8 O2 -

1

0.5

Douglas J. Chesnut; Anakarin Kusnetzow; Robert R. Birge; Jon Zubieta

Solid State Coordination Chemistry of the Copper Halide- and Pseudo-Halide-Organoamine System, Cu-X-[(bis-2,3-(2-pyridyl)pyrazine)] (X = Cl, Br, CN): Hydrothermal Synthesis and Structural Characterization

Inorganic Chemistry

1,999

38

2663

2671

10.1021/ic990132x

0.71073

MoKα

0.0383

0.0328

null

0.0861

0.0888

null

1.036

null

has coordinates

Douglas J. Chesnut; Anakarin Kusnetzow; Robert R. Birge; Jon Zubieta Solid State Coordination Chemistry of the Copper Halide- and Pseudo-Halide-Organoamine System, Cu-X-[(bis-2,3-(2-pyridyl)pyrazine)] (X = Cl, Br, CN): Hydrothermal Synthesis and Structural Characterization Inorganic Chemistry 38 (1999) 2663-2671

179,323

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:20:49 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179323 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/20/4322050.cif $ #-------------------------------------------------------------------...

2,008,128

12.316

0.002

9.606

0.002

18.296

0.003

90

null

103.77

0.02

90

null

2,102.3

0.7

293

2

293

2

null

3

P 1 21/c 1

-P 2ybc

14

Flemiculosin

6-cinnamoyl-5-hydroxy-2,2,8,8-tetramethyl-2H,8H-benzo[1,2-b:3,4-b']dipyran

- C25 H24 O4 -

- C100 H96 O16 -

4

1

BM1267

Bhattacharyya, Kinkini; Mazumdar, Sunil Kumar; Bocelli, Gabriele; Cantoni, Andrea; Ray, Anil B; Neogi, Partha; Mazumdar, Gauri

Flemiculosin, a novel chalcone

Acta Crystallographica Section C

1,999

55

2

215

217

10.1107/S0108270198011421

1.54178

CuKα

0.0814

0.0583

null

0.2302

0.1838

null

1.003

1.103

null

has coordinates,has Fobs

Bhattacharyya, Kinkini; Mazumdar, Sunil Kumar; Bocelli, Gabriele; Cantoni, Andrea; Ray, Anil B; Neogi, Partha; Mazumdar, Gauri Flemiculosin, a novel chalcone Acta Crystallographica Section C 55(2) (1999) 215-217

301,791

2025-08-18

23:15:32

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2,008,129

7.2264

0.0009

8.025

0.0018

16.5902

0.0012

90

null

92.052

0.008

90

null

961.5

0.3

295

null

295

null

4

P 1 21/n 1

-P 2yn

14

- C10 H11 N O3 -

- C40 H44 N4 O12 -

4

1

BM1270

Finnie, Stuart; Kennedy, Alan R.; Prasad, Korlakunte V. R.; Ristic, Radoljub I.; Sheen, David B.; Sherwood, John N.

para-Acetoxyacetanilide

Acta Crystallographica Section C

1,999

55

2

234

236

10.1107/S0108270198012852

0.71069

MoKα

0.1146

0.0436

null

0.1467

null

0.997

null

has coordinates,has Fobs

Finnie, Stuart; Kennedy, Alan R.; Prasad, Korlakunte V. R.; Ristic, Radoljub I.; Sheen, David B.; Sherwood, John N. para-Acetoxyacetanilide Acta Crystallographica Section C 55(2) (1999) 234-236

301,791

2025-08-18

23:15:32

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2,008,130

7.3402

0.0013

8.7066

0.0013

11.179

0.002

70.591

0.016

81.513

0.018

71.158

0.017

637.1

0.2

293

2

293

2

null

4

P -1

-P 1

2

- C7 H14 Cu O12 -

- C14 H28 Cu2 O24 -

2

1

BM1282

Manojlović-Muir, Ljubica; Muir, Kenneth W.; Campbell, Robert A.; McKendrick, John E.; Robins, David J.

Pentaaqua(chelidonato-O^4^)copper(II) monohydrate

Acta Crystallographica Section C

1,999

55

2

178

180

10.1107/S0108270198011895

0.71073

MoKα

0.034

0.032

null

0.088

null

1.089

null

has coordinates,has Fobs

Manojlović-Muir, Ljubica; Muir, Kenneth W.; Campbell, Robert A.; McKendrick, John E.; Robins, David J. Pentaaqua(chelidonato-O^4^)copper(II) monohydrate Acta Crystallographica Section C 55(2) (1999) 178-180

301,791

2025-08-18

23:15:32

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2,008,131

10.857

0.003

11.2892

0.0009

18.5162

0.0009

90

null

90

null

90

null

2,269.5

0.7

293

2

293

2

null

3

P b c a

-P 2ac 2ab

61

2-benzyl-2-hydroxycyclohexanone

- C13 H16 O2 -

- C104 H128 O16 -

8

1

BM1297

McCullough, Kevin J.; Perner, Iris; Rosair, Georgina M.

2-Benzyl-2-hydroxycyclohexanone

Acta Crystallographica Section C

1,999

55

2

268

270

10.1107/S0108270198013869

0.71073

MoKα

0.0882

0.0493

null

0.135

null

1.015

null

has coordinates

McCullough, Kevin J.; Perner, Iris; Rosair, Georgina M. 2-Benzyl-2-hydroxycyclohexanone Acta Crystallographica Section C 55(2) (1999) 268-270

301,791

2025-08-18

23:15:32

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/81/2008131.cif $ #-------------------------------------------------------------------...

2,008,132

5.710728

0.000016

5.710728

0.000016

21.44383

0.0001

90

null

90

null

120

null

605.642

0.004

295

null

295

null

3

R -3 m :H

-R 3 2"

166

- Ba3 Mn2 O8 -

- Ba9 Mn6 O24 -

3

0.083333

BR1210

Weller, Mark T.; Skinner, Stephen J.

Ba~3~Mn~2~O~8~ determined from neutron powder diffraction

Acta Crystallographica Section C

1,999

55

2

154

156

10.1107/S0108270198011871

neutron

null

neutron

null

0.064

null

0.07

null

1.7

null

has coordinates

Weller, Mark T.; Skinner, Stephen J. Ba~3~Mn~2~O~8~ determined from neutron powder diffraction Acta Crystallographica Section C 55(2) (1999) 154-156

301,791

2025-08-18

23:15:32

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/81/2008132.cif $ #-------------------------------------------------------------------...

2,008,133

6.777

0.001

4.915

0.001

8.455

0.002

90

null

91.11

0.03

90

null

281.57

0.1

293

2

293

2

null

5

P 1 21 1

P 2yb

4

ammonium oxovanadium(IV) phosphate ammonia

- H7 N2 O5 P V -

- H14 N4 O10 P2 V2 -

2

1

BR1216

Fratzky, Dietmar; Worzala, Horst; Goetze, Thomas; Meisel, Manfred

NH~4~VO(NH~3~)PO~4~

Acta Crystallographica Section C

1,999

55

2

156

157

10.1107/S0108270198011123

0.71073

MoKα

0.05

0.034

null

0.07

null

1.035

null

has coordinates

Fratzky, Dietmar; Worzala, Horst; Goetze, Thomas; Meisel, Manfred NH~4~VO(NH~3~)PO~4~ Acta Crystallographica Section C 55(2) (1999) 156-157

176,432

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176432 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/81/2008133.cif $ #-------------------------------------------------------------------...

4,322,049

18.6778

0.0005

5.1046

0.0002

16.6257

0.0002

90

null

90

null

90

null

1,585.14

0.08

115

2

115

2

null

5

P n a 21

P 2c -2n

33

- C14 H10 Cl3 Cu3 N4 -

- C56 H40 Cl12 Cu12 N16 -

4

1

Douglas J. Chesnut; Anakarin Kusnetzow; Robert R. Birge; Jon Zubieta

Solid State Coordination Chemistry of the Copper Halide- and Pseudo-Halide-Organoamine System, Cu-X-[(bis-2,3-(2-pyridyl)pyrazine)] (X = Cl, Br, CN): Hydrothermal Synthesis and Structural Characterization

Inorganic Chemistry

1,999

38

2663

2671

10.1021/ic990132x

0.71073

MoKα

0.0942

0.0684

null

0.1271

0.1158

null

1.159

1.191

null

has coordinates

Douglas J. Chesnut; Anakarin Kusnetzow; Robert R. Birge; Jon Zubieta Solid State Coordination Chemistry of the Copper Halide- and Pseudo-Halide-Organoamine System, Cu-X-[(bis-2,3-(2-pyridyl)pyrazine)] (X = Cl, Br, CN): Hydrothermal Synthesis and Structural Characterization Inorganic Chemistry 38 (1999) 2663-2671

179,323

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:20:49 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179323 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/20/4322049.cif $ #-------------------------------------------------------------------...

2,008,134

7.756

0.006

17.107

0.002

6.09

0.002

90

null

90

null

90

null

808

0.7

296

null

4

P 21 21 21

P 2ac 2ab

19

- C6 H10 N2 O4 -

- C24 H40 N8 O16 -

4

1

CF1254

Okabe, Nobuo; Adachi, Yukari

(S)-2-Hydroxy-3-(1H-imidazol-5-yl)propanoic acid hydrate

Acta Crystallographica Section C

1,999

55

2

217

218

10.1107/S0108270198012542

0.71069

MoKα

null

0.06

null

0.107

null

1.44

null

has coordinates

Okabe, Nobuo; Adachi, Yukari (S)-2-Hydroxy-3-(1H-imidazol-5-yl)propanoic acid hydrate Acta Crystallographica Section C 55(2) (1999) 217-218

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/2/00/81/2008134.cif $ #-------------------------------------------------------------------...

2,008,135

20.745

0.002

9.921

0.001

9.232

0.001

90

null

101.15

0.01

90

null

1,864.2

0.3

153

2

153

2

null

4

P 1 21/c 1

-P 2ybc

14

- C20 H18 N8 O2 -

- C80 H72 N32 O8 -

4

1

CF1258

Nieuwenhuyzen, M.; Keirse, R.; Shaw, B.; Vos, J. G.

A 2:1 co-crystal of 5-(2-pyridyl)-1H-1,2,4-triazole and 1,4-dihydroxybenzene

Acta Crystallographica Section C

1,999

55

2

264

266

10.1107/S0108270198012359

0.71073

MoKα

0.053

0.038

null

0.095

0.085

null

1.04

1.062

null

has coordinates

Nieuwenhuyzen, M.; Keirse, R.; Shaw, B.; Vos, J. G. A 2:1 co-crystal of 5-(2-pyridyl)-1H-1,2,4-triazole and 1,4-dihydroxybenzene Acta Crystallographica Section C 55(2) (1999) 264-266

301,791

2025-08-18

23:15:32

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/81/2008135.cif $ #-------------------------------------------------------------------...

2,008,136

7.442

0.001

18.29

0.001

10.284

0.001

90

null

104.74

0.01

90

null

1,353.7

0.2

293

2

293

2

null

5

P 1 21 1

P 2yb

4

trans-diaquabis(nicotinamide-N)bis(salicylato-O)copper(II)

- C26 H26 Cu N4 O10 -

- C52 H52 Cu2 N8 O20 -

2

1

CF1276

Petrovčič, Nina; Kozlevčar, Bojan; Golič, Ljubo; Leban, Ivan; Šegedin, Primož

trans-Diaquabis(nicotinamide-N)bis(salicylato-O)copper(II)

Acta Crystallographica Section C

1,999

55

2

176

178

10.1107/S0108270198011640

0.71073

MoKα

0.0555

0.034

null

0.0972

null

1.034

null

has coordinates,has Fobs

Petrovčič, Nina; Kozlevčar, Bojan; Golič, Ljubo; Leban, Ivan; Šegedin, Primož trans-Diaquabis(nicotinamide-N)bis(salicylato-O)copper(II) Acta Crystallographica Section C 55(2) (1999) 176-178

301,791

2025-08-18

23:15:32

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/81/2008136.cif $ #-------------------------------------------------------------------...

2,008,137

24.1291

0.0003

8.4281

0.0001

20.6083

0.0003

90

null

90

null

90

null

4,190.95

0.09

173

2

173

2

null

6

P n a 21

P 2c -2n

33

Tetra(acetonitrile-N)lithium perchlorate

- C8 H12 Cl Li N4 O4 -

- C96 H144 Cl12 Li12 N48 O48 -

12

3

DA1013

Yokota, Yasuno; Young Jr, Victor G.; Verkade, John G.

The homoleptic lithium complex [Li(CH~3~CN)~4~]ClO~4~

Acta Crystallographica Section C

1,999

55

2

196

198

10.1107/S0108270198011834

0.71073

MoKα

0.083

0.057

null

0.116

null

1.113

1.053

null

has coordinates

Yokota, Yasuno; Young Jr, Victor G.; Verkade, John G. The homoleptic lithium complex [Li(CH~3~CN)~4~]ClO~4~ Acta Crystallographica Section C 55(2) (1999) 196-198

301,791

2025-08-18

23:15:32

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4,322,048

10.1851

0.0004

10.2318

0.0007

27.617

0.002

94.457

0.007

91.462

0.006

90.214

0.006

2,868.3

0.3

293

2

293

2

null

3

P -1

-P 1

2

Cs7In4Bi6

- Bi12 Cs14 In8 -

- Bi24 Cs28 In16 -

2

1

Svilen Bobev; Slavi C. Sevov

Cs7In4Bi6: A Zintl Phase Tailored from the PbO-Type Layers of the Parent InBi Compound

Inorganic Chemistry

1,999

38

2672

2675

10.1021/ic990113n

0.71073

MoKα

0.0982

0.0748

null

0.3606

0.1917

null

1.445

1.503

null

has coordinates

Svilen Bobev; Slavi C. Sevov Cs7In4Bi6: A Zintl Phase Tailored from the PbO-Type Layers of the Parent InBi Compound Inorganic Chemistry 38 (1999) 2672-2675

179,323

2020-10-21

18:00:00

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2,008,138

21.1645

0.0001

21.1645

0.0001

28.9378

0.0001

90

null

90

null

120

null

11,225.7

0.08

298

2

298

2

null

6

R -3 :H

-R 3

148

cuprous bromide triphenylphosphite cubane tetramer

tetra-μ~3~-bromo-tetrakis[(triphenyl phosphite-P)copper(I)]

- C72 H60 Br4 Cu4 O12 P4 -

- C432 H360 Br24 Cu24 O72 P24 -

6

0.333333

DA1019

Pike, Robert D.; Starnes, William H. Jr; Carpenter, Gene B.

Cubane tetrameric complexes of copper(I) chloride and bromide with triphenyl phosphite

Acta Crystallographica Section C

1,999

55

2

162

165

10.1107/S0108270198012451

0.71073

MoKα

0.08

0.048

null

0.147

null

0.147

null

1.131

null

has coordinates

Pike, Robert D.; Starnes, William H. Jr; Carpenter, Gene B. Cubane tetrameric complexes of copper(I) chloride and bromide with triphenyl phosphite Acta Crystallographica Section C 55(2) (1999) 162-165

176,759

2020-10-21

18:00:00

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2,008,139

14.6643

0.0002

22.6409

0.0003

22.6645

0.0001

90

null

107.434

0.001

90

null

7,179.23

0.15

298

2

298

2

null

6

P 1 21/n 1

-P 2yn

14

cuprous chloride triphenylphosphite cubane tetramer

tetra-μ~3~-chloro-tetrakis[(triphenyl phosphite-P)copper(I)]

- C72 H60 Cl4 Cu4 O12 P4 -

- C288 H240 Cl16 Cu16 O48 P16 -

4

1

DA1019

Pike, Robert D.; Starnes, William H. Jr; Carpenter, Gene B.

Cubane tetrameric complexes of copper(I) chloride and bromide with triphenyl phosphite

Acta Crystallographica Section C

1,999

55

2

162

165

10.1107/S0108270198012451

0.71073

MoKα

0.1

0.049

null

0.111

null

1.013

null

has coordinates

Pike, Robert D.; Starnes, William H. Jr; Carpenter, Gene B. Cubane tetrameric complexes of copper(I) chloride and bromide with triphenyl phosphite Acta Crystallographica Section C 55(2) (1999) 162-165

176,759

2020-10-21

18:00:00

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2,008,140

9.31

0.002

11.341

0.004

11.887

0.003

102.01

0.02

97.05

0.02

104.81

0.02

1,166.1

0.6

293

2

293

2

null

7

P -1

-P 1

2

μ-[1,1'-(1,2-Ethanediyl)bis(1,2,4-1H-triazole)]-N^4^:N^4^'-bis{[1,1,1- trifluoro-3-(2-thenoyl)acetonato-O,O']copper(II)}

- C38 H24 Cu2 F12 N6 O8 S4 -

1

0.5

DA1029

Baolong Li; Jianzhong Zou; Chunying Duan; Yongjiang Liu; Xianwen Wei; Zheng Xu

μ-[1,1'-(1,2-Ethanediyl)bis(1H-1,2,4-triazole)]-N^4^:N^4'^-bis{bis[1,1,1-trifluoro-3-(2-thenoyl)acetonato-O,O']copper(II)}

Acta Crystallographica Section C

1,999

55

2

165

167

10.1107/S0108270198011846

0.71073

MoKα

0.051

0.038

null

0.123

0.109

null

1.013

1.022

null

has coordinates,has disorder

Baolong Li; Jianzhong Zou; Chunying Duan; Yongjiang Liu; Xianwen Wei; Zheng Xu μ-[1,1'-(1,2-Ethanediyl)bis(1H-1,2,4-triazole)]-N^4^:N^4'^-bis{bis[1,1,1-trifluoro-3-(2-thenoyl)acetonato-O,O']copper(II)} Acta Crystallographica Section C 55(2) (1999) 165-167

301,791

2025-08-18

23:15:32

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2,008,141

8.038

0.002

20.482

0.004

13.677

0.003

90

null

91.76

0.02

90

null

2,250.6

0.9

293

2

293

2

null

4

P 1 21/a 1

-P 2yab

14

- C28 H18 Cr O4 -

- C112 H72 Cr4 O16 -

4

1

DA1035

Hannesschlager, Patrick; Brun, Pierre; Pèpe, Gérard

Tricarbonyl[(6a,7,8,9,10,10a-η)-3,3-diphenyl-3H-benzo[f]chromene]chromium

Acta Crystallographica Section C

1,999

55

2

200

202

10.1107/S0108270198012104

0.71073

MoKα

0.0441

0.0397

null

0.0789

0.0773

null

0.808

0.987

null

has coordinates

Hannesschlager, Patrick; Brun, Pierre; Pèpe, Gérard Tricarbonyl[(6a,7,8,9,10,10a-η)-3,3-diphenyl-3H-benzo[f]chromene]chromium Acta Crystallographica Section C 55(2) (1999) 200-202

176,759

2020-10-21

18:00:00

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4,322,047

27.3046

0.0007

27.3046

0.0007

12.2452

0.0002

90

null

90

null

90

null

9,129.3

0.4

213

2

213

2

null

synthesis

5

I -4

82

- C42 H36 Cl6 N12 Ni3 -

- C42 H34 Cl6 N12 Ni3 -

- C336 H272 Cl48 N96 Ni24 -

8

1

Rodolphe Clérac; F. Albert Cotton; Kim R. Dunbar; Carlos A. Murillo; Isabel Pascual; Xiaoping Wang

Further Study of the Linear Trinickel(II) Complex of Dipyridylamide

Inorganic Chemistry

1,999

38

2655

2657

10.1021/ic990006t

0.71073

MoKα

0.0408

0.0392

null

0.0996

0.0978

null

1.073

1.074

null

has coordinates

Rodolphe Clérac; F. Albert Cotton; Kim R. Dunbar; Carlos A. Murillo; Isabel Pascual; Xiaoping Wang Further Study of the Linear Trinickel(II) Complex of Dipyridylamide Inorganic Chemistry 38 (1999) 2655-2657

179,323

2020-10-21

18:00:00

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2,008,142

6.866

0.003

9.101

0.004

9.927

0.004

100.62

0.02

90.85

0.03

109.34

0.02

573.4

0.4

293

2

293

2

null

6

P -1

-P 1

2

[Ni(Me6trans[14]teteneN4)](ClO4)2

[Nickel(II)(5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradeca- -1,4,8,11-tetraene)]diperchlorate

- C16 H28 Cl2 N4 Ni O8 -

1

0.5

DA1042

Gómez-Lara, Jacobo; Basiuk, Elena V.; Basiuk, Vladimir A.; Hernández-Ortega, Simon

(5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradeca-1,4,8,11-tetraene-N,N',N'',N''')nickel(II) diperchlorate

Acta Crystallographica Section C

1,999

55

2

160

162

10.1107/S0108270198012116

0.71073

MoKα

0.0747

0.0562

null

0.1564

null

0.943

null

has coordinates,has Fobs

Gómez-Lara, Jacobo; Basiuk, Elena V.; Basiuk, Vladimir A.; Hernández-Ortega, Simon (5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradeca-1,4,8,11-tetraene-N,N',N'',N''')nickel(II) diperchlorate Acta Crystallographica Section C 55(2) (1999) 160-162

301,791

2025-08-18

23:15:32

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2,008,143

6.229

0.002

7.3544

0.0007

15.137

0.003

90.8

0.01

97.34

0.02

113.63

0.01

628.5

0.3

293

1

293

1

null

3

P 1

1

Taraxerone

- C30 H48 O -

1

DA1044

Parvez, Masood; Gul, Waseem; Yousaf, Mohammad; Choudhary, M. Iqbal; Atta-ur-Rahman; Khan, M. Riaz

Taraxerone

Acta Crystallographica Section C

1,999

55

2

213

215

10.1107/S0108270198012463

1.54178

CuKα

0.059

0.055

null

0.148

null

1.06

null

has coordinates,has Fobs

Parvez, Masood; Gul, Waseem; Yousaf, Mohammad; Choudhary, M. Iqbal; Atta-ur-Rahman; Khan, M. Riaz Taraxerone Acta Crystallographica Section C 55(2) (1999) 213-215

301,791

2025-08-18

23:15:32

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2,008,144

6.685

0.002

13.2357

0.0011

14.8763

0.0019

93.677

0.009

98.114

0.016

90.359

0.014

1,300.2

0.4

293

2

293

2

null

4

P -1

-P 1

2

4-Heptamethyleneimino-7-nitrobenzo-2-oxa-1,3-diazole

- C13 H16 N4 O3 -

- C52 H64 N16 O12 -

4

2

DE1090

Satyen Saha; Anunay Samanta

4-Heptamethyleneimino-7-nitrobenzo-2-oxa-1,3-diazole

Acta Crystallographica Section C

1,999

55

2

252

254

10.1107/S0108270198012128

0.71073

MoKα

0.083

0.05

null

0.148

null

0.998

null

has coordinates,has Fobs

Satyen Saha; Anunay Samanta 4-Heptamethyleneimino-7-nitrobenzo-2-oxa-1,3-diazole Acta Crystallographica Section C 55(2) (1999) 252-254

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/2/00/81/2008144.cif $ #-------------------------------------------------------------------...

2,008,145

24.772

0.005

10.165

0.002

15.362

0.003

90

null

120.68

0.03

90

null

3,326.8

1.5

293

2

293

2

null

5

C 1 2/c 1

-C 2yc

15

(MALONATE)(AQUA)(5,6-DIMETHYL-1,10'PHENANTHROLINE) COPPER (II) HYDRATE

- C34 H36 Cu2 N4 O12 -

- C17 H18 Cu N2 O6 -

- C136 H144 Cu8 N16 O48 -

8

1

FR1113

Gasque, Laura; Moreno-Esparza, Rafael; Mollins, Elies; Briansó-Penalva, José Luis; Ruiz-Ramírez, Lena; Medina-Dickinson, Gerardo

Aqua(5,6-dimethyl-1,10-phenanthroline-N,N')(malonato-O,O')copper(II) hydrate

Acta Crystallographica Section C

1,999

55

2

158

160

10.1107/S0108270198009937

0.71073

MoKα

0.056

0.032

null

0.096

null

1.057

null

has coordinates

Gasque, Laura; Moreno-Esparza, Rafael; Mollins, Elies; Briansó-Penalva, José Luis; Ruiz-Ramírez, Lena; Medina-Dickinson, Gerardo Aqua(5,6-dimethyl-1,10-phenanthroline-N,N')(malonato-O,O')copper(II) hydrate Acta Crystallographica Section C 55(2) (1999) 158-160

176,759

2020-10-21

18:00:00

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4,322,046

12.673

0.001

14.138

0.002

23.89

0.003

90

null

90

null

90

null

4,280.4

0.9

173

2

173

2

null

synthesis

6

P c c n

-P 2ab 2ac

56

- C44 H40 Cl2 N12 Ni3 O -

- C44 H32 Cl2 N12 Ni3 O -

- C176 H128 Cl8 N48 Ni12 O4 -

4

0.5

Rodolphe Clérac; F. Albert Cotton; Kim R. Dunbar; Carlos A. Murillo; Isabel Pascual; Xiaoping Wang

Further Study of the Linear Trinickel(II) Complex of Dipyridylamide

Inorganic Chemistry

1,999

38

2655

2657

10.1021/ic990006t

0.71073

MoKα

0.1066

0.0463

null

0.1306

0.1101

null

1.09

1.171

null

has coordinates

Rodolphe Clérac; F. Albert Cotton; Kim R. Dunbar; Carlos A. Murillo; Isabel Pascual; Xiaoping Wang Further Study of the Linear Trinickel(II) Complex of Dipyridylamide Inorganic Chemistry 38 (1999) 2655-2657

179,323

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:20:49 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179323 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/20/4322046.cif $ #-------------------------------------------------------------------...

2,008,146

6.5453

0.0006

7.5995

0.0008

24.855

0.003

90

null

95.46

0.02

90

null

1,230.7

0.2

293

null

4

P 1 21/n 1

-P 2yn

14

- C12 H10 N2 O6 -

- C48 H40 N8 O24 -

4

1

FR1126

Moreno-Fuquen, Rodolfo; Valderrama-Naranjo, Jaime; Montaño, Angela Marcela

A 1:1 complex of 4-nitropyridine N-oxide and 3-hydroxybenzoic acid

Acta Crystallographica Section C

1,999

55

2

218

220

10.1107/S0108270198009949

0.71073

MoKα

0.083

0.038

null

0.117

0.084

null

1.114

1.028

null

has coordinates

Moreno-Fuquen, Rodolfo; Valderrama-Naranjo, Jaime; Montaño, Angela Marcela A 1:1 complex of 4-nitropyridine N-oxide and 3-hydroxybenzoic acid Acta Crystallographica Section C 55(2) (1999) 218-220

301,791

2025-08-18

23:15:32

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/81/2008146.cif $ #-------------------------------------------------------------------...

2,008,147

10.253

0.001

11.2035

0.0009

8.008

0.001

90

null

90

null

90

null

919.87

0.16

296

null

296

null

4

P 21 21 21

P 2ac 2ab

19

4-aminohippuric acid

- C9 H10 N2 O3 -

- C36 H40 N8 O12 -

4

1

FR1150

Dobson, Allison J.; Gerkin, Roger E.

Hydrogen bonding in 4-aminohippuric acid

Acta Crystallographica Section C

1,999

55

2

206

208

10.1107/S0108270198011767

0.71073

MoKα

null

0.036

null

0.059

null

1.76

null

has coordinates

Dobson, Allison J.; Gerkin, Roger E. Hydrogen bonding in 4-aminohippuric acid Acta Crystallographica Section C 55(2) (1999) 206-208

301,791

2025-08-18

23:15:32

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/81/2008147.cif $ #-------------------------------------------------------------------...

2,008,148

7.0863

0.0005

4.3394

0.0006

13.2126

0.0006

90

null

90.147

0.005

90

null

406.29

0.07

296

null

296

null

3

I 1 2 1

I 2y

5

(+)-tartaric acid dimethyl ether

(2R,3R)-(+)-2,3-dimethoxybutanedioic acid

- C6 H10 O6 -

- C12 H20 O12 -

2

0.5

FR1158

Gerkin, Roger E.

Hydrogen bonding in (2R,3R)-(+)-2,3-dimethoxybutanedioic acid [(+)-tartaric acid dimethyl ether]

Acta Crystallographica Section C

1,999

55

2

209

211

10.1107/S0108270198012694

0.71073

MoKα

null

0.031

null

0.056

null

1.9

null

has coordinates

Gerkin, Roger E. Hydrogen bonding in (2R,3R)-(+)-2,3-dimethoxybutanedioic acid [(+)-tartaric acid dimethyl ether] Acta Crystallographica Section C 55(2) (1999) 209-211

301,791

2025-08-18

23:15:32

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2,008,149

14.4077

0.0011

8.0758

0.0007

19.0278

0.0008

90

null

92.95

0.005

90

null

2,211

0.3

293

null

298

null

2

C 1 2/c 1

-C 2yc

15

dibenzobarrelene

[2,3:5,6]Dibenzo[2.2.2]octa-2,5,7-triene

- C16 H12 -

- C128 H96 -

8

1

FR1160

Burrows, Lary; Masnovi, John; Baker, Ronald J.

[2,3:5,6]Dibenzo[2.2.2]octa-2,5,7-triene (C2/c) and [2,3:5,6]dibenzo[2.2.2]octa-2,5-diene

Acta Crystallographica Section C

1,999

55

2

236

239

10.1107/S010827019801275X

0.7093

MoKα

0.038

null

0.042

null

2.06

null

has coordinates

Burrows, Lary; Masnovi, John; Baker, Ronald J. [2,3:5,6]Dibenzo[2.2.2]octa-2,5,7-triene (C2/c) and [2,3:5,6]dibenzo[2.2.2]octa-2,5-diene Acta Crystallographica Section C 55(2) (1999) 236-239

301,791

2025-08-18

23:15:32

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/81/2008149.cif $ #-------------------------------------------------------------------...

4,322,045

15.239

0.003

15.852

0.003

11.79

0.002

90

null

90

null

90

null

2,848.1

0.9

213

2

213

2

null

5

P n a 21

P 2c -2n

33

- C16 H18 Cl6 Cr4 O5 -

- C8 H9 Cl3 Cr2 O2.5 -

- C64 H72 Cl24 Cr16 O20 -

8

2

F. Albert Cotton; Carlos A. Murillo; Isabel Pascual

First Cr(II) Complex with a Tetrahedral M4(μ4-O) Core: [M4(μ4-O)(μ-Cl)6(THF)4]

Inorganic Chemistry

1,999

38

2746

2749

10.1021/ic9814468

0.71073

MoKα

0.0403

0.0393

null

0.1059

0.103

null

0.989

0.981

null

has coordinates

F. Albert Cotton; Carlos A. Murillo; Isabel Pascual First Cr(II) Complex with a Tetrahedral M4(μ4-O) Core: [M4(μ4-O)(μ-Cl)6(THF)4] Inorganic Chemistry 38 (1999) 2746-2749

179,323

2020-10-21

18:00:00

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2,008,150

10.688

0.001

6.3449

0.0006

16.978

0.003

90

null

104.62

0.01

90

null

1,114.1

0.3

293

null

298

null

2

P 1 21/c 1

-P 2ybc

14

9,10-ethano-9,10-dihydroanthracene

[2,3:5,6]Dibenzo[2.2.2]octa-2,5-diene

- C16 H14 -

- C64 H56 -

4

1

FR1160

Burrows, Lary; Masnovi, John; Baker, Ronald J.

[2,3:5,6]Dibenzo[2.2.2]octa-2,5,7-triene (C2/c) and [2,3:5,6]dibenzo[2.2.2]octa-2,5-diene

Acta Crystallographica Section C

1,999

55

2

236

239

10.1107/S010827019801275X

0.7093

MoKα

0.035

null

0.042

null

2.03

null

has coordinates

Burrows, Lary; Masnovi, John; Baker, Ronald J. [2,3:5,6]Dibenzo[2.2.2]octa-2,5,7-triene (C2/c) and [2,3:5,6]dibenzo[2.2.2]octa-2,5-diene Acta Crystallographica Section C 55(2) (1999) 236-239

301,791

2025-08-18

23:15:32

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/81/2008150.cif $ #-------------------------------------------------------------------...

2,008,151

9.5974

0.0013

18.9323

0.0011

7.2881

0.001

90

null

94.229

0.012

90

null

1,320.6

0.3

293

null

293

2

null

3

P 1 21/c 1

-P 2ybc

14

tetrabenzo-24-crown-8

- C32 H32 O8 -

- C64 H64 O16 -

2

0.5

FR1161

Bryan, Jeffrey C.; Bunick, Gerard J.; Sachleben, Richard A.

Tetrabenzo-24-crown-8

Acta Crystallographica Section C

1,999

55

2

250

252

10.1107/S0108270198012700

1.5418

CuKα

0.046

0.038

null

0.111

null

1.02

1.04

null

has coordinates,has Fobs

Bryan, Jeffrey C.; Bunick, Gerard J.; Sachleben, Richard A. Tetrabenzo-24-crown-8 Acta Crystallographica Section C 55(2) (1999) 250-252

301,791

2025-08-18

23:15:32

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/81/2008151.cif $ #-------------------------------------------------------------------...

2,008,152

13.658

0.001

11.388

0.001

22.178

0.002

90

null

106.951

0.008

90

null

3,299.6

0.5

296

null

296

null

3

P 1 21/c 1

-P 2ybc

14

4,4',6,6'-tetramethylbiphenyl-2,2'-dicarboxylic acid

- C18 H18 O4 -

- C144 H144 O32 -

8

2

FR1167

Dobson, Allison J.; Gerkin, Roger E.

Hydrogen bonding in 4,4',6,6'-tetramethylbiphenyl-2,2'-dicarboxylic acid

Acta Crystallographica Section C

1,999

55

2

203

206

10.1107/S0108270198012761

0.71073

MoKα

null

0.074

null

0.097

null

1.21

null

has coordinates

Dobson, Allison J.; Gerkin, Roger E. Hydrogen bonding in 4,4',6,6'-tetramethylbiphenyl-2,2'-dicarboxylic acid Acta Crystallographica Section C 55(2) (1999) 203-206

301,791

2025-08-18

23:15:32

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/81/2008152.cif $ #-------------------------------------------------------------------...