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

2,006,089

10.4657

0.0006

10.8221

0.0005

11.416

0.0005

76.542

0.004

65.033

0.004

73.103

0.004

1,112.49

0.1

294

1

294

1

null

5

P -1

-P 1

2

Bis(2,2,6,6,10,10-hexamethyl-4,8-dioxaundecanedioate)bis(pyridine)dirhodium(II)

- C40 H62 N2 O12 Rh2 -

1

0.5

AB1452

Gallagher, John F.; Ferguson, George; McAlees, Alan J.

Bis(μ-2,2,6,6,10,10-hexamethyl-4,8-dioxaundecanedioato-O^1^,O^11^:O^1'^,O^11'^)bis(pyridine-N)dirhodium(II)(Rh—Rh)

Acta Crystallographica Section C

1,997

53

5

576

579

10.1107/S010827019700142X

0.7107

MolybdenumKα

0.027

0.0195

null

0.0462

0.0447

null

1.028

1.07

null

has coordinates,has disorder

Gallagher, John F.; Ferguson, George; McAlees, Alan J. Bis(μ-2,2,6,6,10,10-hexamethyl-4,8-dioxaundecanedioato-O^1^,O^11^:O^1'^,O^11'^)bis(pyridine-N)dirhodium(II)(Rh—Rh) Acta Crystallographica Section C 53(5) (1997) 576-579

301,791

2025-08-18

23:15:28

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4,322,098

20.856

0.004

13.523

0.003

13.203

0.003

90

null

90

null

90

null

3,723.7

1.4

293

2

293

2

null

6

P b c n

-P 2n 2ab

60

[Ru(bpy)(CO)3Cl]+[Cl]-.(H5O2)+(Cl)-

- C13 H13 Cl3 N2 O5 Ru -

- C104 H104 Cl24 N16 O40 Ru8 -

8

1

Matti Haukka; Pipsa Hirva; Saija Luukkanen; Mirja Kallinen; Markku Ahlgrén; Tapani A. Pakkanen

Reactions of Ruthenium Bipyridine Catalyst Precursors: Synthetic, Structural, and Theoretical Studies on Ruthenium Mono(bipyridine) Carbonyls in Ethylene Glycol Solutions

Inorganic Chemistry

1,999

38

3182

3189

10.1021/ic981266y

0.71073

MoKα

0.0251

0.0203

null

0.0498

0.0505

null

0.934

null

has coordinates

Matti Haukka; Pipsa Hirva; Saija Luukkanen; Mirja Kallinen; Markku Ahlgrén; Tapani A. Pakkanen Reactions of Ruthenium Bipyridine Catalyst Precursors: Synthetic, Structural, and Theoretical Studies on Ruthenium Mono(bipyridine) Carbonyls in Ethylene Glycol Solutions Inorganic Chemistry 38 (1999) 3182-3189

179,323

2020-10-21

18:00:00

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2,006,090

11.2525

0.0011

7.095

0.0012

18.612

0.002

90

null

90

null

90

null

1,485.9

0.3

294

1

294

1

null

4

P n m a

-P 2ac 2n

62

1,4-Diazabicyclo[2.2.2]octane‒1,3,5-benzenetricarboxylic acid (1/1). .

- C15 H18 N2 O6 -

- C60 H72 N8 O24 -

4

0.5

AB1456

Meehan, Paul R.; Ferguson, George; Glidewell, Christopher; Patterson, Iain L.J.

Molecular Tiling in the 1:1 Adduct of 1,4-Diazabicyclo[2.2.2]octane and 1,3,5-Benzenetricarboxylic Acid

Acta Crystallographica Section C

1,997

53

5

628

631

10.1107/S0108270197001200

0.7107

MolybdenumKα

0.0912

0.0489

null

0.1531

0.1407

null

1.06

1.288

null

has coordinates

Meehan, Paul R.; Ferguson, George; Glidewell, Christopher; Patterson, Iain L.J. Molecular Tiling in the 1:1 Adduct of 1,4-Diazabicyclo[2.2.2]octane and 1,3,5-Benzenetricarboxylic Acid Acta Crystallographica Section C 53(5) (1997) 628-631

176,759

2020-10-21

18:00:00

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2,006,091

10.358

0.002

13.627

0.003

13.872

0.003

90.16

0.01

98.47

0.01

103.23

0.01

1,883.9

0.7

293

2

293

2

null

7

P -1

-P 1

2

Sodium (μ-hydroxo)-bis(1,10-phenanthroline-N,N')- bis(thiosulfate-S)-di-Zinc(II), 4.35 hydrate, 0.85 methanol solvate

- C28.85 H37.1 N4 Na O12.2 S4 Zn2 -

- C57.7 H74.2 N8 Na2 O24.4 S8 Zn4 -

2

1

BK1290

Baggio, Sergio; Pardo, Maria I.; Baggio, Ricardo; Garland, Maria Teresa

Sodium Bis(2,9-dimethyl-1,10-phenanthroline)-μ-hydroxo-di(thiosulfato)dizinc(II) Pentahydrate Methanol Solvate

Acta Crystallographica Section C

1,997

53

5

551

554

10.1107/S0108270196015375

0.71073

MoKα

0.064

0.039

null

0.112

0.095

null

0.96

0.975

null

has coordinates

Baggio, Sergio; Pardo, Maria I.; Baggio, Ricardo; Garland, Maria Teresa Sodium Bis(2,9-dimethyl-1,10-phenanthroline)-μ-hydroxo-di(thiosulfato)dizinc(II) Pentahydrate Methanol Solvate Acta Crystallographica Section C 53(5) (1997) 551-554

301,791

2025-08-18

23:15:28

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2,006,092

21.329

0.005

9.268

0.005

8.262

0.005

90

0.005

106.16

0.005

90

0.005

1,568.7

1.3

293

2

293

2

null

4

C 1 2 1

C 2y

5

(1S,2R,3S,4R)-3-Benzamido-3-methoxycarbonylbicyclo[2.2.1]heptane-2- carboxylic acid.

- C17 H19 N O5 -

- C68 H76 N4 O20 -

4

1

BM1118

Buñuel, Elena; Cativiela, Carlos; Díaz-de-Villegas, María D.; Gálvez, José A.

A Conformationally Restricted Aspartic Acid Analogue with a Norbornane Skeleton. II

Acta Crystallographica Section C

1,997

53

5

626

628

10.1107/S0108270196015727

0.71073

MoKα

0.0862

0.0688

null

0.2488

0.1894

null

1.117

1.152

null

has coordinates

Buñuel, Elena; Cativiela, Carlos; Díaz-de-Villegas, María D.; Gálvez, José A. A Conformationally Restricted Aspartic Acid Analogue with a Norbornane Skeleton. II Acta Crystallographica Section C 53(5) (1997) 626-628

301,791

2025-08-18

23:15:28

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2,006,093

9.8797

0.0007

12.2119

0.0008

7.6464

0.0006

90

null

104.394

0.006

90

null

893.58

0.11

173

2

173

2

null

5

C 1 2 1

C 2y

5

Trisodium trimetaphosphimate monohydrate

Trisodium-tri-μ-imido-cyclotriphosphate monohydrate

- H5 N3 Na3 O7 P3 -

- H20 N12 Na12 O28 P12 -

4

1

BM1119

Stock, Norbert; Schnick, Wolfgang

Trisodium Trimetaphosphimate Monohydrate

Acta Crystallographica Section C

1,997

53

5

532

534

10.1107/S010827019601520X

0.71073

MoKα

0.0435

0.0311

null

0.0663

0.0619

null

1.031

1.04

null

has coordinates

Stock, Norbert; Schnick, Wolfgang Trisodium Trimetaphosphimate Monohydrate Acta Crystallographica Section C 53(5) (1997) 532-534

176,759

2020-10-21

18:00:00

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2,006,094

12.761

0.002

12.1276

0.0013

7.9969

0.0009

90

null

102.907

0.01

90

null

1,206.3

0.3

293

2

293

2

null

4

P 1 21/c 1

-P 2ybc

14

N-9-(Carboxymethyl)-2,6-diazidopurine methyl ester

- C8 H6 N10 O2 -

- C32 H24 N40 O8 -

4

1

BM1122

Sood, Geeta; Schwalbe, Carl H.; Fraser, William

2,6-Diazido-9-(carboxymethyl)purine Methyl Ester

Acta Crystallographica Section C

1,997

53

5

608

610

10.1107/S0108270196015764

1.54178

CuKα

0.0916

0.0629

null

0.1961

0.1646

null

1.036

1.119

null

has coordinates

Sood, Geeta; Schwalbe, Carl H.; Fraser, William 2,6-Diazido-9-(carboxymethyl)purine Methyl Ester Acta Crystallographica Section C 53(5) (1997) 608-610

201,955

2020-10-21

18:00:00

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4,322,097

12.5325

0.0004

13.1258

0.0004

14.8161

0.0005

87.667

0.001

79.438

0.001

72.684

0.001

2,287.1

0.13

293

2

173

2

null

5

P -1

-P 1

2

Bis(2,5-diphenyl-3,4-bis(trimethylsilyl)phosphacyclopentadienyl Tin(II)

- C44 H56 P2 Si4 Sn -

- C88 H112 P4 Si8 Sn2 -

2

1

Matthias Westerhausen; Matthias H. Digeser; Heinrich Nöth; Werner Ponikwar; Thomas Seifert; Kurt Polborn

2,5-Diphenyl-3,4-bis(trimethylsilyl)-1-phosphacyclopentadienide as a Ligand at Calcium, Strontium, and Tin(II)

Inorganic Chemistry

1,999

38

3207

3214

10.1021/ic981132k

0.71073

MoKα

0.04

0.0304

null

0.0692

0.0649

null

1.092

1.11

null

has coordinates

Matthias Westerhausen; Matthias H. Digeser; Heinrich Nöth; Werner Ponikwar; Thomas Seifert; Kurt Polborn 2,5-Diphenyl-3,4-bis(trimethylsilyl)-1-phosphacyclopentadienide as a Ligand at Calcium, Strontium, and Tin(II) Inorganic Chemistry 38 (1999) 3207-3214

301,838

2025-08-20

22:17:36

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2,006,095

20.86

0.004

9.09

0.002

17.202

0.003

90

null

92.23

0.03

90

null

3,259.3

1.1

293

2

293

2

null

6

C 1 2/c 1

-C 2yc

15

Bis(1,1-bis(dimethylphosphonate)-1-hydroxyethane) praseodymium trinitrate

Bis(1,1-bis(dimethylphosphonato)-1-hydroxyethane) praseodymium (III) nitrate

- C12 H32 N3 O23 P4 Pr -

- C12 H32 N2.5 O22.5 P4 Pr0.5 -

- C48 H128 N10 O90 P16 Pr2 -

4

0.5

BM1127

Lees, Anthony M. J.; Platt, Andrew W. G.; Kresinski, Roman A.

Bis[1-hydroxyethane-1,1-diylbis(dimethyl phosphonate-O)]tris(nitrato-O,O')praseodymium

Acta Crystallographica Section C

1,997

53

5

581

583

10.1107/S0108270197000437

0.71069

MoKα

0.0359

0.0348

null

0.0881

0.0868

null

0.825

0.836

null

has coordinates

Lees, Anthony M. J.; Platt, Andrew W. G.; Kresinski, Roman A. Bis[1-hydroxyethane-1,1-diylbis(dimethyl phosphonate-O)]tris(nitrato-O,O')praseodymium Acta Crystallographica Section C 53(5) (1997) 581-583

176,759

2020-10-21

18:00:00

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2,006,096

7.761

0.001

11.513

0.003

5.5234

0.0009

90

null

90

null

90

null

493.53

0.16

293

null

3

C m m a

-C 2a 2

67

- Ba F6 Tb -

- Ba4 F24 Tb4 -

4

0.25

BR1157

Largeau, Eric; El-Ghozzi, Malika; Métin, Jacques; Avignant, Daniel

β-BaTbF~6~

Acta Crystallographica Section C

1,997

53

5

530

532

10.1107/S0108270196014527

0.71073

MoKα

null

0.026

null

0.03

null

1.615

null

has coordinates,has Fobs

Largeau, Eric; El-Ghozzi, Malika; Métin, Jacques; Avignant, Daniel β-BaTbF~6~ Acta Crystallographica Section C 53(5) (1997) 530-532

176,435

2020-10-21

18:00:00

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2,006,097

13.843

0.002

10.683

0.002

8.155

0.002

90

null

99.13

0.02

90

null

1,190.7

0.4

293

2

293

2

null

6

P 1 21/c 1

-P 2ybc

14

bis[N-(4-bromophenyl)salicylaldimine]copper(II)

- C26 H18 Br2 Cu N2 O2 -

- C52 H36 Br4 Cu2 N4 O4 -

2

0.5

CF1096

Elerman, Yalçin; Geselle, Marcus

Bis[N-(4-bromophenyl)salicylaldimine]copper(II)

Acta Crystallographica Section C

1,997

53

5

549

551

10.1107/S010827019601387X

0.71073

MoKα

null

0.0434

null

0.1208

null

1.117

null

has coordinates,has Fobs

Elerman, Yalçin; Geselle, Marcus Bis[N-(4-bromophenyl)salicylaldimine]copper(II) Acta Crystallographica Section C 53(5) (1997) 549-551

301,791

2025-08-18

23:15:28

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2,006,098

14.224

0.002

8.882

0.002

22.885

0.005

90

null

101.47

0.01

90

null

2,833.5

1

298

null

5

P 1 21/c 1

-P 2ybc

14

- C26 H28 N2 O12 Pb -

- C104 H112 N8 O48 Pb4 -

4

1

CF1121

Lin, Ching-Shan; Liu, Lilian Kao; Ueng, Chuen-Her

(Benzyl sym-dibenzo-16-crown-5 ether)lead(II) Dinitrate

Acta Crystallographica Section C

1,997

53

5

574

576

10.1107/S0108270196015739

0.7107

MoKα

null

0.035

null

0.026

null

2.05

null

has coordinates

Lin, Ching-Shan; Liu, Lilian Kao; Ueng, Chuen-Her (Benzyl sym-dibenzo-16-crown-5 ether)lead(II) Dinitrate Acta Crystallographica Section C 53(5) (1997) 574-576

176,759

2020-10-21

18:00:00

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2,006,099

3.725

0.001

4.773

0.001

4.936

0.001

107.03

0.02

107.23

0.02

101.57

0.02

76.08

0.04

293

null

293

null

3

P 1

1

tetrazole

α-1H-1,2,3,4-tetrazole

- C H2 N4 -

1

CF1151

Goddard, Richard; Heinemann, Oliver; Krüger, Carl

α-1H-1,2,3,4-Tetrazole

Acta Crystallographica Section C

1,997

53

5

590

592

10.1107/S0108270197000772

0.71069

MoKα

0.0436

0.042

null

0.101

0.099

null

1.111

1.12

null

has coordinates

Goddard, Richard; Heinemann, Oliver; Krüger, Carl α-1H-1,2,3,4-Tetrazole Acta Crystallographica Section C 53(5) (1997) 590-592

301,791

2025-08-18

23:15:28

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2,006,100

18.52

0.002

5.7602

0.0007

16.788

0.002

90

null

114.78

0.02

90

null

1,626

0.4

300

2

300

2

null

5

C 1 2/c 1

-C 2yc

15

Bis(N-propionamido-β-alaninatocopper(II) hydrate

- C12 H24 Cu N4 O7 -

- C48 H96 Cu4 N16 O28 -

4

0.5

DE1046

Chen, Wei; Lim, Meng-chay

Two Isomeric Bis(n-propionamidoalaninato)copper(II) Hydrate Complexes, [Cu(C~6~H~11~N~2~O~3~)~2~].H~2~O

Acta Crystallographica Section C

1,997

53

5

539

543

10.1107/S0108270196015417

0.71073

MoKα

0.0542

0.0339

null

0.1054

0.0882

null

0.756

0.732

null

has coordinates

Chen, Wei; Lim, Meng-chay Two Isomeric Bis(n-propionamidoalaninato)copper(II) Hydrate Complexes, [Cu(C~6~H~11~N~2~O~3~)~2~].H~2~O Acta Crystallographica Section C 53(5) (1997) 539-543

301,791

2025-08-18

23:15:28

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2,006,101

18.357

0.003

5.7887

0.0004

17.728

0.003

90

null

119.52

0.02

90

null

1,639.3

0.5

300

2

300

2

null

5

C 1 2 1

C 2y

5

bis(N-propionamido-α-alaninato)copper(II) hydrate

- C12 H24 Cu N4 O7 -

- C48 H96 Cu4 N16 O28 -

4

1

DE1046

Chen, Wei; Lim, Meng-chay

Two Isomeric Bis(n-propionamidoalaninato)copper(II) Hydrate Complexes, [Cu(C~6~H~11~N~2~O~3~)~2~].H~2~O

Acta Crystallographica Section C

1,997

53

5

539

543

10.1107/S0108270196015417

0.71073

MoKα

0.0395

0.0338

null

0.0776

0.073

null

1.113

1.107

null

has coordinates

Chen, Wei; Lim, Meng-chay Two Isomeric Bis(n-propionamidoalaninato)copper(II) Hydrate Complexes, [Cu(C~6~H~11~N~2~O~3~)~2~].H~2~O Acta Crystallographica Section C 53(5) (1997) 539-543

301,791

2025-08-18

23:15:28

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4,322,096

21.0471

0.001

12.9643

0.0006

27.1778

0.0012

90

null

93.189

0.001

90

null

7,404.3

0.6

293

2

173

2

null

6

C 1 2/c 1

-C 2yc

15

tetrakis(thf)strontiumi bis(2,5-diphenyl-3,4-bis(trimethylsilyl)phosphacyclopentadienide

- C74 H104 O4 P2 Si4 Sr -

- C296 H416 O16 P8 Si16 Sr4 -

4

0.5

Matthias Westerhausen; Matthias H. Digeser; Heinrich Nöth; Werner Ponikwar; Thomas Seifert; Kurt Polborn

2,5-Diphenyl-3,4-bis(trimethylsilyl)-1-phosphacyclopentadienide as a Ligand at Calcium, Strontium, and Tin(II)

Inorganic Chemistry

1,999

38

3207

3214

10.1021/ic981132k

0.71073

MoKα

0.0544

0.0426

null

0.0954

0.0894

null

1.09

1.115

null

has coordinates

Matthias Westerhausen; Matthias H. Digeser; Heinrich Nöth; Werner Ponikwar; Thomas Seifert; Kurt Polborn 2,5-Diphenyl-3,4-bis(trimethylsilyl)-1-phosphacyclopentadienide as a Ligand at Calcium, Strontium, and Tin(II) Inorganic Chemistry 38 (1999) 3207-3214

301,838

2025-08-20

22:17:36

#------------------------------------------------------------------------------ #$Date: 2025-08-21 01:01:10 +0300 (Thu, 21 Aug 2025) $ #$Revision: 301838 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/20/4322096.cif $ #-------------------------------------------------------------------...

2,006,102

6.8175

0.0008

10.762

0.002

13.71

0.002

90

null

90

null

90

null

1,006

0.3

300

2

300

2

null

6

P 21 21 21

P 2ac 2ab

19

- C6 H11 Br Cu N2 O3 -

- C24 H44 Br4 Cu4 N8 O12 -

4

1

Chen, Wei; Lim, Meng-chay

Two Isomeric Bis(n-propionamidoalaninato)copper(II) Hydrate Complexes, [Cu(C~6~H~11~N~2~O~3~)~2~].H~2~O

Acta Crystallographica Section C

1,997

53

539

543

null

0.0292

null

0.0516

null

has coordinates

Chen, Wei; Lim, Meng-chay Two Isomeric Bis(n-propionamidoalaninato)copper(II) Hydrate Complexes, [Cu(C~6~H~11~N~2~O~3~)~2~].H~2~O Acta Crystallographica Section C 53 (1997) 539-543

130,149

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/61/2006102.cif $ #-------------------------------------------------------------------...

2,006,103

7.6203

0.0004

10.2094

0.0009

14.045

0.002

90

null

90

null

90

null

1,092.7

0.2

300

2

300

2

null

6

P 21 21 21

P 2ac 2ab

19

- C6 H13 Br Cu N2 O4 -

- C6 H11 Br Cu N2 O4 -

- C24 H44 Br4 Cu4 N8 O16 -

4

1

DE1046

Chen, Wei; Lim, Meng-chay

Two Isomeric Bis(n-propionamidoalaninato)copper(II) Hydrate Complexes, [Cu(C~6~H~11~N~2~O~3~)~2~].H~2~O

Acta Crystallographica Section C

1,997

53

5

539

543

10.1107/S0108270196015417

null

0.0478

null

0.1148

null

has coordinates

Chen, Wei; Lim, Meng-chay Two Isomeric Bis(n-propionamidoalaninato)copper(II) Hydrate Complexes, [Cu(C~6~H~11~N~2~O~3~)~2~].H~2~O Acta Crystallographica Section C 53(5) (1997) 539-543

130,149

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/61/2006103.cif $ #-------------------------------------------------------------------...

2,006,104

12.03

0.001

19.854

0.002

17.091

0.002

90

null

97.21

0.01

90

null

4,049.8

0.7

293

null

293

null

7

P 1 21/c 1

-P 2ybc

14

chloro(tri-n-butylphosphine)cobaloxime

trans-chlorobis(diphenylglyoximato)(tri-n-butylphosphine)cobalt(III)

- C40 H49 Cl Co N4 O4 P -

- C40 H22 Cl Co N4 O4 P -

- C160 H88 Cl4 Co4 N16 O16 P4 -

4

1

FG1214

Barton, Richard J.; Major, Quinn; Mihichuk, Lynn M.; Robertson, Beverly E.; Seip, Candace

trans-Chlorobis(diphenylglyoximato)(tri-n-butylphosphine)cobalt(III)

Acta Crystallographica Section C

1,997

53

5

568

570

10.1107/S010827019601565X

0.713543

MoKα

0.101

0.085

null

0.044

0.043

null

1.322

1.352

null

has coordinates,has disorder,has Fobs

Barton, Richard J.; Major, Quinn; Mihichuk, Lynn M.; Robertson, Beverly E.; Seip, Candace trans-Chlorobis(diphenylglyoximato)(tri-n-butylphosphine)cobalt(III) Acta Crystallographica Section C 53(5) (1997) 568-570

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/2/00/61/2006104.cif $ #-------------------------------------------------------------------...

2,006,105

11.115

0.002

15.077

0.003

17.182

0.003

65.191

0.012

87.299

0.01

79.709

0.012

2,570.3

0.9

173

2

173

2

null

3

P -1

-P 1

2

meso-dimethyl-bis([2.2]paracyclophan-4-yl)silane

- C34 H36 Si -

- C136 H144 Si4 -

4

2

FG1229

Jones, Peter G.; Ernst, Ludger; Dix, Ina; Wittkowski, Lars

A Diastereomeric Pair of Cyclophane Derivatives: Planar–Chiral and meso-Dimethylbis([2.2]paracyclophan-4-yl)silane

Acta Crystallographica Section C

1,997

53

5

612

615

10.1107/S0108270197000085

0.71073

MoKα

0.1511

0.0531

null

0.1106

0.0876

null

0.788

1.007

null

has coordinates

Jones, Peter G.; Ernst, Ludger; Dix, Ina; Wittkowski, Lars A Diastereomeric Pair of Cyclophane Derivatives: Planar–Chiral and meso-Dimethylbis([2.2]paracyclophan-4-yl)silane Acta Crystallographica Section C 53(5) (1997) 612-615

301,791

2025-08-18

23:15:28

#------------------------------------------------------------------------------ #$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/2/00/61/2006105.cif $ #-------------------------------------------------------------------...

2,006,106

13.941

0.002

17.694

0.002

10.4379

0.0014

90

null

93.089

0.01

90

null

2,571

0.6

173

2

173

2

null

3

P 1 21/c 1

-P 2ybc

14

chiral dimethyl-bis([2.2]paracyclophan-4-yl)silane

- C34 H36 Si -

- C136 H144 Si4 -

4

1

FG1229

Jones, Peter G.; Ernst, Ludger; Dix, Ina; Wittkowski, Lars

A Diastereomeric Pair of Cyclophane Derivatives: Planar–Chiral and meso-Dimethylbis([2.2]paracyclophan-4-yl)silane

Acta Crystallographica Section C

1,997

53

5

612

615

10.1107/S0108270197000085

0.71073

MoKα

0.078

0.0457

null

0.1144

0.1034

null

0.92

1.059

null

has coordinates

Jones, Peter G.; Ernst, Ludger; Dix, Ina; Wittkowski, Lars A Diastereomeric Pair of Cyclophane Derivatives: Planar–Chiral and meso-Dimethylbis([2.2]paracyclophan-4-yl)silane Acta Crystallographica Section C 53(5) (1997) 612-615

301,791

2025-08-18

23:15:28

#------------------------------------------------------------------------------ #$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/2/00/61/2006106.cif $ #-------------------------------------------------------------------...

4,322,095

21.089

0.003

12.962

0.002

27.353

0.003

90

0.012

93.365

0.01

90

0.012

7,464.2

1.8

293

2

293

2

null

6

C 1 2/c 1

-C 2yc

15

tetrakis(thf)calcium bis(2,5-diphenyl-3,4-bis(trimethylsilyl)phosphacyclopentadienide

- C74 H104 Ca O4 P2 Si4 -

- C296 H416 Ca4 O16 P8 Si16 -

4

0.5

Matthias Westerhausen; Matthias H. Digeser; Heinrich Nöth; Werner Ponikwar; Thomas Seifert; Kurt Polborn

2,5-Diphenyl-3,4-bis(trimethylsilyl)-1-phosphacyclopentadienide as a Ligand at Calcium, Strontium, and Tin(II)

Inorganic Chemistry

1,999

38

3207

3214

10.1021/ic981132k

0.71073

MoKα

0.074

0.0521

null

0.1381

0.1227

null

1.075

1.106

null

has coordinates

Matthias Westerhausen; Matthias H. Digeser; Heinrich Nöth; Werner Ponikwar; Thomas Seifert; Kurt Polborn 2,5-Diphenyl-3,4-bis(trimethylsilyl)-1-phosphacyclopentadienide as a Ligand at Calcium, Strontium, and Tin(II) Inorganic Chemistry 38 (1999) 3207-3214

301,838

2025-08-20

22:17:36

#------------------------------------------------------------------------------ #$Date: 2025-08-21 01:01:10 +0300 (Thu, 21 Aug 2025) $ #$Revision: 301838 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/20/4322095.cif $ #-------------------------------------------------------------------...

2,006,107

11.872

0.002

8.477

0.002

34.557

0.005

90

null

93.36

0.006

90

null

3,471.8

1.1

173

2

173

2

null

6

P 1 21/c 1

-P 2ybc

14

- C27 H31 Au B9 Cl5 P2 -

- C108 H124 Au4 B36 Cl20 P8 -

4

1

FG1231

Jones, Peter G.; Villacampa, M. Dolores; Crespo, Olga; Gimeno, M. Concepcíon; Laguna, Antonio

cis-[7,8-Bis(diphenylphosphino)-7,8-dicarba-nido-undecaborato-P,P']dichlorogold(III) Chloroform Solvate

Acta Crystallographica Section C

1,997

53

5

570

572

10.1107/S0108270197002059

0.71073

MoKα

0.0834

0.0412

null

0.07

0.0624

null

0.82

0.942

null

has coordinates

Jones, Peter G.; Villacampa, M. Dolores; Crespo, Olga; Gimeno, M. Concepcíon; Laguna, Antonio cis-[7,8-Bis(diphenylphosphino)-7,8-dicarba-nido-undecaborato-P,P']dichlorogold(III) Chloroform Solvate Acta Crystallographica Section C 53(5) (1997) 570-572

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/2/00/61/2006107.cif $ #-------------------------------------------------------------------...

2,006,108

9.142

0.004

9.687

0.004

10.449

0.005

113.07

0.03

94.14

0.03

115.15

0.03

738.3

0.7

178

2

178

2

null

5

P -1

-P 1

2

trans-3,5-Dioxo-3,5-diphenyl-4-oxa-1,3,5-thia-diphosphorinane

- C14 H14 O3 P2 S -

- C28 H28 O6 P4 S2 -

2

1

FG1232

Jones, Peter G.; Weinkauf, Andreas

trans-3,5-Diphenyl-1,4,2,6-oxathiadiphosphorinane-3,5-dione

Acta Crystallographica Section C

1,997

53

5

615

616

10.1107/S0108270197000073

0.71073

MoKα

0.0339

0.0301

null

0.0811

0.0776

null

1.038

1.047

null

has coordinates

Jones, Peter G.; Weinkauf, Andreas trans-3,5-Diphenyl-1,4,2,6-oxathiadiphosphorinane-3,5-dione Acta Crystallographica Section C 53(5) (1997) 615-616

301,791

2025-08-18

23:15:28

#------------------------------------------------------------------------------ #$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/2/00/61/2006108.cif $ #-------------------------------------------------------------------...

2,006,109

6.78

0.001

10.229

0.003

15.991

0.002

90

null

98.83

0.02

90

null

1,095.9

0.4

293

2

298

2

null

3

P 1 21/n 1

-P 2yn

14

(+/-)-4,5-Dihydro-1-oxo-2a(3H)-acenaphthylenecarboxylic acid

- C13 H12 O3 -

- C52 H48 O12 -

4

1

FG1238

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

Catemeric Hydrogen Bonding in a γ-Keto Acid: (±)-2a,3,4,5-Tetrahydro-1(2H)-oxoacenaphthylene-2a-carboxylic Acid

Acta Crystallographica Section C

1,997

53

5

599

601

10.1107/S0108270196015144

0.71073

MoKα

0.1109

0.0565

null

0.1481

0.1209

null

1.037

1.133

null

has coordinates

Brunskill, Andrew P. J.; Thompson, Hugh W.; Lalancette, Roger A. Catemeric Hydrogen Bonding in a γ-Keto Acid: (±)-2a,3,4,5-Tetrahydro-1(2H)-oxoacenaphthylene-2a-carboxylic Acid Acta Crystallographica Section C 53(5) (1997) 599-601

301,791

2025-08-18

23:15:28

#------------------------------------------------------------------------------ #$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/2/00/61/2006109.cif $ #-------------------------------------------------------------------...

4,322,094

8.41

0.001

11.029

0.001

10.993

0.001

90

null

111.13

0.01

90

null

951.09

0.18

293

2

293

2

null

3

P 1 21/c 1

-P 2ybc

14

- Hf5.95 Sb4 Ti1.05 -

- Hf5.947 Sb4 Ti1.053 -

- Hf23.788 Sb16 Ti4.212 -

4

1

Holger Kleinke

Sb-Sb Interactions in the Hafnium-Rich Antimonide Hf6TiSb4

Inorganic Chemistry

1,999

38

2931

2935

10.1021/ic990138m

0.71073

MoKα

0.1034

0.0382

null

0.0788

0.0706

null

0.6

0.847

null

has coordinates

Holger Kleinke Sb-Sb Interactions in the Hafnium-Rich Antimonide Hf6TiSb4 Inorganic Chemistry 38 (1999) 2931-2935

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/4/32/20/4322094.cif $ #-------------------------------------------------------------------...

2,006,110

14.4649

0.0009

18.015

0.002

8.0881

0.0008

90

null

90

null

90

null

2,107.6

0.3

20

null

293

null

5

P 21 21 21

P 2ac 2ab

19

[1aS]-6-amino-8{[(aminocarbonyl)oxy]methyl}-1,1a,2,8,8a,8b- hexahydro-8a-methoxy-5-phenylthiomethylazirino[2',3':3,4]- pyrrolo[1,2-a]indole-4,7-dione

- C21 H22 N4 O5 S -

- C84 H88 N16 O20 S4 -

4

1

FR1007

Sugaya, Nobutaka; Fujii, Isao; Hirayama, Noriaki; Arai, Hitoshi; Kasai, Masaji

Structural Studies of Mitomycins. IX. 6-Demethyl-6-(phenylthiomethyl)mitomycin C

Acta Crystallographica Section C

1,997

53

5

610

612

10.1107/S0108270196015612

1.5418

CuKα

null

0.052

null

0.08

null

2.38

null

has coordinates,has disorder

Sugaya, Nobutaka; Fujii, Isao; Hirayama, Noriaki; Arai, Hitoshi; Kasai, Masaji Structural Studies of Mitomycins. IX. 6-Demethyl-6-(phenylthiomethyl)mitomycin C Acta Crystallographica Section C 53(5) (1997) 610-612

301,791

2025-08-18

23:15:28

#------------------------------------------------------------------------------ #$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/2/00/61/2006110.cif $ #-------------------------------------------------------------------...

2,006,111

14.637

0.003

16.46

0.002

6.629

0.002

90

null

90

null

90

null

1,597.1

0.6

296

null

296

null

5

P c c n

-P 2ab 2ac

56

- C7 H9 N O3 S -

- C56 H72 N8 O24 S8 -

8

1

Sugaya, Nobutaka; Fujii, Isao; Hirayama, Noriaki; Arai, Hitoshi; Kasai, Masaji

Structural Studies of Mitomycins. IX. Structure of 6-Demethyl-6-(phenylthiomethyl)mitomycin C

Acta Crystallographica Section C

1,997

53

610

612

null

0.058

null

0.038

null

has coordinates

Sugaya, Nobutaka; Fujii, Isao; Hirayama, Noriaki; Arai, Hitoshi; Kasai, Masaji Structural Studies of Mitomycins. IX. Structure of 6-Demethyl-6-(phenylthiomethyl)mitomycin C Acta Crystallographica Section C 53 (1997) 610-612

301,791

2025-08-18

23:15:28

#------------------------------------------------------------------------------ #$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/2/00/61/2006111.cif $ #-------------------------------------------------------------------...

2,006,112

15.908

0.002

7.337

0.005

16.798

0.002

90

null

117.145

0.006

90

null

1,744.7

1.2

296

null

296

null

5

P 1 21/c 1

-P 2ybc

14

4-aminotoluene-3-sulfonic acid hemihydrate

- C7 H10 N O3.5 S -

- C56 H80 N8 O28 S8 -

8

2

FR1011

Leonard, Melvin A.; Squattrito, Philip J.

Anhydrous and Hydrated 4-Aminotoluene-3-sulfonic Acid

Acta Crystallographica Section C

1,997

53

5

648

651

10.1107/S0108270196015600

0.7107

MoKα

null

0.087

null

0.045

null

1.95

null

has coordinates

Leonard, Melvin A.; Squattrito, Philip J. Anhydrous and Hydrated 4-Aminotoluene-3-sulfonic Acid Acta Crystallographica Section C 53(5) (1997) 648-651

301,791

2025-08-18

23:15:28

#------------------------------------------------------------------------------ #$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/2/00/61/2006112.cif $ #-------------------------------------------------------------------...

2,006,113

10.246

0.002

5.524

0.002

19.973

0.001

90

null

90.463

0.009

90

null

1,130.4

0.5

173

2

173.2

null

4

P 1 21/c 1

-P 2ybc

14

- C13 H12 N2 O2 -

- C52 H48 N8 O8 -

4

1

FR1017

William H. Ojala; Ramaswamy A. Iyer; Patrick E. Hanna; William B. Gleason

Heterocyclic N-Acetoxyarylamines, Models for the Putative Ultimate Carcinogens of Aromatic Amines: 2-Acetoxyamino-5-phenylpyridine and 2-Acetoxyaminopyridine

Acta Crystallographica Section C

1,997

53

5

634

637

10.1107/S0108270196015168

1.5418

CuKα

null

0.0369

null

0.0464

null

2.165

null

has coordinates

William H. Ojala; Ramaswamy A. Iyer; Patrick E. Hanna; William B. Gleason Heterocyclic N-Acetoxyarylamines, Models for the Putative Ultimate Carcinogens of Aromatic Amines: 2-Acetoxyamino-5-phenylpyridine and 2-Acetoxyaminopyridine Acta Crystallographica Section C 53(5) (1997) 634-637

301,791

2025-08-18

23:15:28

#------------------------------------------------------------------------------ #$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/2/00/61/2006113.cif $ #-------------------------------------------------------------------...

4,322,093

18.13

0.004

18.033

0.002

18.347

0.003

90

null

93.21

0.02

90

null

5,988.9

1.8

173

2

173

2

null

7

P 1 21/c 1

-P 2ybc

14

- C58 H61 Au B9 Cl4 P3 Ru -

- C232 H244 Au4 B36 Cl16 P12 Ru4 -

4

1

Dianne D. Ellis; Samantha M. Couchman; John C. Jeffery; John M. Malget; F. Gordon A. Stone

The Reagent [K(18-crown-6)][RuH(PPh3)2(η5-7,8-C2B9H11)] as a Precursor to New Ruthenacarborane Complexes

Inorganic Chemistry

1,999

38

2981

2988

10.1021/ic990057q

0.71073

MoKα

0.0806

0.0456

null

0.0992

0.0884

null

1.096

1.184

null

has coordinates,has disorder

Dianne D. Ellis; Samantha M. Couchman; John C. Jeffery; John M. Malget; F. Gordon A. Stone The Reagent [K(18-crown-6)][RuH(PPh3)2(η5-7,8-C2B9H11)] as a Precursor to New Ruthenacarborane Complexes Inorganic Chemistry 38 (1999) 2981-2988

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/4/32/20/4322093.cif $ #-------------------------------------------------------------------...

2,006,114

9.432

0.001

5.472

0.002

14.9983

0.0009

90

null

101.657

0.007

90

null

758.1

0.3

173

2

173

2

null

4

P 1 21/c 1

-P 2ybc

14

- C7 H8 N2 O2 -

- C28 H32 N8 O8 -

4

1

FR1017

William H. Ojala; Ramaswamy A. Iyer; Patrick E. Hanna; William B. Gleason

Heterocyclic N-Acetoxyarylamines, Models for the Putative Ultimate Carcinogens of Aromatic Amines: 2-Acetoxyamino-5-phenylpyridine and 2-Acetoxyaminopyridine

Acta Crystallographica Section C

1,997

53

5

634

637

10.1107/S0108270196015168

1.5418

CuKα

null

0.0359

null

0.0362

null

2.602

null

has coordinates

William H. Ojala; Ramaswamy A. Iyer; Patrick E. Hanna; William B. Gleason Heterocyclic N-Acetoxyarylamines, Models for the Putative Ultimate Carcinogens of Aromatic Amines: 2-Acetoxyamino-5-phenylpyridine and 2-Acetoxyaminopyridine Acta Crystallographica Section C 53(5) (1997) 634-637

301,791

2025-08-18

23:15:28

#------------------------------------------------------------------------------ #$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/2/00/61/2006114.cif $ #-------------------------------------------------------------------...

2,006,115

9.823

0.002

19.6

0.002

11.384

0.002

90

null

93.26

0.02

90

null

2,188.2

0.6

292

null

292

null

6

P 1 21/c 1

-P 2ybc

14

Trifluoromethyl(cobalt) tricarbonyl triphenylphosphine

- C22 H15 Co F3 O3 P -

- C88 H60 Co4 F12 O12 P4 -

4

1

FR1018

Mullica, Donald F.; Sappenfield, Eric L.; Gipson, Stephen L.; Wilkinson, Chad C.

Tricarbonyl(trifluoromethyl)(triphenylphosphine)cobalt

Acta Crystallographica Section C

1,997

53

5

572

574

10.1107/S0108270196015910

0.71073

MoKα

0.098

0.051

null

0.729

0.065

null

1.59

null

has coordinates

Mullica, Donald F.; Sappenfield, Eric L.; Gipson, Stephen L.; Wilkinson, Chad C. Tricarbonyl(trifluoromethyl)(triphenylphosphine)cobalt Acta Crystallographica Section C 53(5) (1997) 572-574

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/2/00/61/2006115.cif $ #-------------------------------------------------------------------...

2,006,116

7.602

0.001

8.662

0.001

7.505

0.001

94.64

0.01

96.48

0.01

67.2

0.01

452.3

0.11

296

null

296

null

4

P -1

-P 1

2

4-aminoquinoline-2-carboxylic acid monohydrate

- C10 H10 N2 O3 -

- C20 H20 N4 O6 -

2

1

FR1021

Burd, Craig J.; Dobson, Allison J.; Gerkin, Roger E.

α and β Phases of 4-Aminoquinoline-2-carboxylic Acid Monohydrate

Acta Crystallographica Section C

1,997

53

5

602

605

10.1107/S0108270197000565

0.71073

MoKα

null

0.04

null

0.055

null

2.3

null

has coordinates

Burd, Craig J.; Dobson, Allison J.; Gerkin, Roger E. α and β Phases of 4-Aminoquinoline-2-carboxylic Acid Monohydrate Acta Crystallographica Section C 53(5) (1997) 602-605

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/2/00/61/2006116.cif $ #-------------------------------------------------------------------...

2,006,117

7.378

0.001

7.306

0.001

16.833

0.001

90

null

95.544

0.007

90

null

903.12

0.18

296

null

296

null

4

P 1 21/c 1

-P 2ybc

14

4-aminoquinoline-2-carboxylic acid monohydrate

- C10 H10 N2 O3 -

- C40 H40 N8 O12 -

4

1

FR1021

Burd, Craig J.; Dobson, Allison J.; Gerkin, Roger E.

α and β Phases of 4-Aminoquinoline-2-carboxylic Acid Monohydrate

Acta Crystallographica Section C

1,997

53

5

602

605

10.1107/S0108270197000565

0.71073

MoKα

null

0.045

null

0.054

null

1.67

null

has coordinates

Burd, Craig J.; Dobson, Allison J.; Gerkin, Roger E. α and β Phases of 4-Aminoquinoline-2-carboxylic Acid Monohydrate Acta Crystallographica Section C 53(5) (1997) 602-605

301,791

2025-08-18

23:15:28

#------------------------------------------------------------------------------ #$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/2/00/61/2006117.cif $ #-------------------------------------------------------------------...

4,322,092

12.7415

0.001

33.576

0.003

14.0383

0.0013

90

null

96.628

0.008

90

null

5,965.6

0.9

173

2

173

2

null

8

P 1 21/n 1

-P 2yn

14

- C59 H65 B9 Cl4 Cu O P3 Ru -

- C59 H61 B9 Cl4 Cu O P3 Ru -

- C236 H244 B36 Cl16 Cu4 O4 P12 Ru4 -

4

1

Dianne D. Ellis; Samantha M. Couchman; John C. Jeffery; John M. Malget; F. Gordon A. Stone

The Reagent [K(18-crown-6)][RuH(PPh3)2(η5-7,8-C2B9H11)] as a Precursor to New Ruthenacarborane Complexes

Inorganic Chemistry

1,999

38

2981

2988

10.1021/ic990057q

0.71073

MoKα

0.0672

0.0428

null

0.0972

0.0876

null

1.025

1.073

null

has coordinates,has disorder

Dianne D. Ellis; Samantha M. Couchman; John C. Jeffery; John M. Malget; F. Gordon A. Stone The Reagent [K(18-crown-6)][RuH(PPh3)2(η5-7,8-C2B9H11)] as a Precursor to New Ruthenacarborane Complexes Inorganic Chemistry 38 (1999) 2981-2988

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/4/32/20/4322092.cif $ #-------------------------------------------------------------------...

2,006,118

10.839

0.002

13.519

0.003

18.939

0.004

90

null

90

null

90

null

2,775.2

1

293

2

293

2

null

5

P b c a

-P 2ac 2ab

61

1-Styrylsilatrane

E-1-(2-phenylethenyl)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane

- C14 H19 N O3 Si -

- C112 H152 N8 O24 Si8 -

8

1

FR1023

Stradiotto, Mark; Crowe, Grant; Ruffolo, Ralph; Brook, Michael A.

1-Styrylsilatrane

Acta Crystallographica Section C

1,997

53

5

637

639

10.1107/S0108270197000310

0.56086

AgKα

0.2333

0.0554

null

0.1305

0.0879

null

0.761

1.089

null

has coordinates,has disorder

Stradiotto, Mark; Crowe, Grant; Ruffolo, Ralph; Brook, Michael A. 1-Styrylsilatrane Acta Crystallographica Section C 53(5) (1997) 637-639

301,791

2025-08-18

23:15:28

#------------------------------------------------------------------------------ #$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/2/00/61/2006118.cif $ #-------------------------------------------------------------------...

2,006,119

12.148

0.002

20.749

0.003

13.026

0.002

90

null

113.68

0.01

90

null

3,006.9

0.8

294

null

5

P 1 21/c 1

-P 2ybc

14

bis-nitrilotriacet-N-amide : lead (II) nitrate

- C18 H36 N10 O12 Pb -

- C72 H144 N40 O48 Pb4 -

4

1

FR1025

Skrzypczak-Jankun, Ewa

2:1 Complex of N,N',N''-Trimethylnitrilotriacetamide and Pb(NO~3~)~2~

Acta Crystallographica Section C

1,997

53

5

579

581

10.1107/S0108270197000693

0.71073

MoKα

null

0.028

null

0.035

null

1.114

null

has coordinates

Skrzypczak-Jankun, Ewa 2:1 Complex of N,N',N''-Trimethylnitrilotriacetamide and Pb(NO~3~)~2~ Acta Crystallographica Section C 53(5) (1997) 579-581

301,791

2025-08-18

23:15:28

#------------------------------------------------------------------------------ #$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/2/00/61/2006119.cif $ #-------------------------------------------------------------------...

2,006,120

16.353

0.009

30.264

0.009

8.461

0.008

90

null

90

null

90

null

4,187

5

193

2

193

2

null

3

P b c a

-P 2ac 2ab

61

2-(7,9-Diphenylcyclopenta[a]acenaphtadien-6b-yl)ethylbromide

- C29 H21 Br -

- C232 H168 Br8 -

8

1

HA1185

Gerhard Jany; Marina Gustafsson; Timo Repo; Martti Klinga; Markku Leskelä

2-(7,9-Diphenylcyclopenta[a]acenaphthadien-6b-yl)ethylbromide

Acta Crystallographica Section C

1,997

53

5

644

646

10.1107/S0108270197000632

0.71073

MoKα

0.129

0.0712

null

0.2757

0.1871

null

1.119

1.188

null

has coordinates

Gerhard Jany; Marina Gustafsson; Timo Repo; Martti Klinga; Markku Leskelä 2-(7,9-Diphenylcyclopenta[a]acenaphthadien-6b-yl)ethylbromide Acta Crystallographica Section C 53(5) (1997) 644-646

301,791

2025-08-18

23:15:28

#------------------------------------------------------------------------------ #$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/2/00/61/2006120.cif $ #-------------------------------------------------------------------...

2,006,121

14.133

0.002

8.642

0.002

8.7698

0.0011

90

null

93.89

0.03

90

null

1,068.7

0.3

293

2

293

2

null

4

P 1 21/n 1

-P 2yn

14

5-(Dimethylamino)-8-methyl-2-quinolone

- C12 H14 N2 O -

- C48 H56 N8 O4 -

4

1

JZ1147

Sudha, L.; Subramanian, K.; Steiner, Thomas; Koellner, Gertraud; Ramakrishnan, V. T. R.; Sriraghavan, K.

5-Dimethylamino-8-methyl-2-quinolone

Acta Crystallographica Section C

1,997

53

5

606

607

10.1107/S0108270196010621

1.54176

CuKα

0.0572

0.0446

null

0.127

0.1222

null

1.095

1.197

null

has coordinates

Sudha, L.; Subramanian, K.; Steiner, Thomas; Koellner, Gertraud; Ramakrishnan, V. T. R.; Sriraghavan, K. 5-Dimethylamino-8-methyl-2-quinolone Acta Crystallographica Section C 53(5) (1997) 606-607

301,791

2025-08-18

23:15:28

#------------------------------------------------------------------------------ #$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/2/00/61/2006121.cif $ #-------------------------------------------------------------------...

2,006,122

9.556

0.003

18.257

0.003

18.629

0.003

90

null

90

null

90

null

3,250.1

1.3

293

2

293

2

null

4

P c 21 b

P -2bc -2c

29

3-Acetamido-4-N-cyclooctylaminonitrobenzene

- C16 H23 N3 O3 -

- C128 H184 N24 O24 -

8

2

KA1198

González-Platas, J.; Ruiz-Pérez, C.; Torres, M.; Yanes, C.

3-Acetamido-4-(cyclooctylamino)nitrobenzene

Acta Crystallographica Section C

1,997

53

5

651

654

10.1107/S0108270196007202

0.71069

MoKα

0.1577

0.0639

null

0.2117

0.157

null

1.034

1.157

null

has coordinates,has disorder

González-Platas, J.; Ruiz-Pérez, C.; Torres, M.; Yanes, C. 3-Acetamido-4-(cyclooctylamino)nitrobenzene Acta Crystallographica Section C 53(5) (1997) 651-654

301,791

2025-08-18

23:15:28

#------------------------------------------------------------------------------ #$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/2/00/61/2006122.cif $ #-------------------------------------------------------------------...

2,006,123

9.32

0.002

9.9726

0.0014

17.203

0.004

90

null

104.831

0.015

90

null

1,545.7

0.5

293

2

293

2

null

5

P 1 21/c 1

-P 2ybc

14

Bis(2-thienylpyridin)platin(II)

- C18 H12 N2 Pt S2 -

- C72 H48 N8 Pt4 S8 -

4

1

KA1218

Breu, Josef; Range, Klaus-Jürgen; von Zelewsky, Alex; Yersin, Hartmut

Arene‒Arene Stacking in cis-Bis[2-(2-thienyl-C^3^)pyridine-N]platinum(II)

Acta Crystallographica Section C

1,997

53

5

562

565

10.1107/S0108270196015053

0.71069

MoKα

0.0298

0.0265

null

0.0728

0.0714

null

1.072

1.118

null

has coordinates

Breu, Josef; Range, Klaus-Jürgen; von Zelewsky, Alex; Yersin, Hartmut Arene‒Arene Stacking in cis-Bis[2-(2-thienyl-C^3^)pyridine-N]platinum(II) Acta Crystallographica Section C 53(5) (1997) 562-565

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/2/00/61/2006123.cif $ #-------------------------------------------------------------------...

4,322,091

10.9437

0.0014

17.901

0.004

23.818

0.003

90

null

90.737

0.011

90

null

4,665.6

1.3

173

2

173

2

null

7

P 1 21/c 1

-P 2ybc

14

- C43 H43 B9 Cl2 O4 P2 Ru2 -

- C172 H172 B36 Cl8 O16 P8 Ru8 -

4

1

Dianne D. Ellis; Samantha M. Couchman; John C. Jeffery; John M. Malget; F. Gordon A. Stone

The Reagent [K(18-crown-6)][RuH(PPh3)2(η5-7,8-C2B9H11)] as a Precursor to New Ruthenacarborane Complexes

Inorganic Chemistry

1,999

38

2981

2988

10.1021/ic990057q

0.71073

MoKα

0.0466

0.0289

null

0.0668

0.0613

null

0.975

1.028

null

has coordinates

Dianne D. Ellis; Samantha M. Couchman; John C. Jeffery; John M. Malget; F. Gordon A. Stone The Reagent [K(18-crown-6)][RuH(PPh3)2(η5-7,8-C2B9H11)] as a Precursor to New Ruthenacarborane Complexes Inorganic Chemistry 38 (1999) 2981-2988

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/4/32/20/4322091.cif $ #-------------------------------------------------------------------...

2,006,124

9.276

0.006

9.879

0.006

22.499

0.013

92.54

0.04

95.08

0.04

102.67

0.04

1,999

2

291

1

291

1

null

4

P -1

-P 1

2

Bis[2-(triphenylsilyl)phenyl] Disulphide

- C48 H38 S2 Si2 -

- C96 H76 S4 Si4 -

2

1

KA1224

Miller, John R.; Lu, Canzhong; Zheng, Yifan

Bis[2-(triphenylsilyl)phenyl] Disulfide

Acta Crystallographica Section C

1,997

53

5

654

655

10.1107/S0108270197001662

0.71073

MoKα

0.0677

0.0375

null

0.1172

0.1018

null

1.01

1.041

null

has coordinates

Miller, John R.; Lu, Canzhong; Zheng, Yifan Bis[2-(triphenylsilyl)phenyl] Disulfide Acta Crystallographica Section C 53(5) (1997) 654-655

301,791

2025-08-18

23:15:28

#------------------------------------------------------------------------------ #$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/2/00/61/2006124.cif $ #-------------------------------------------------------------------...

2,006,125

11.198

0.002

8.836

0.006

25.795

0.007

90

null

98.34

0.02

90

null

2,525.3

1.9

296

null

5

P 1 21/c 1

-P 2ybc

14

- C16 H40 Cl2 N4 O9 -

- C64 H160 Cl8 N16 O36 -

4

1

KH1117

Hu, Huai-Ming; Sun, Hong-Sui; Huang, Xiao-Ying; Chen, Xiao-Hua; Liu, Yonyjiang; You, Xiao-Zeng

meso-5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane Dihydroperchlorate Monohydrate

Acta Crystallographica Section C

1,997

53

5

588

590

10.1107/S0108270196014667

0.71073

MoKα

null

0.061

null

0.07

null

1.76

null

has coordinates

Hu, Huai-Ming; Sun, Hong-Sui; Huang, Xiao-Ying; Chen, Xiao-Hua; Liu, Yonyjiang; You, Xiao-Zeng meso-5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane Dihydroperchlorate Monohydrate Acta Crystallographica Section C 53(5) (1997) 588-590

301,791

2025-08-18

23:15:28

#------------------------------------------------------------------------------ #$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/2/00/61/2006125.cif $ #-------------------------------------------------------------------...

2,006,126

11.792

0.001

15.799

0.001

20.925

0.002

105.31

0.01

96.27

0.001

106.17

0.01

3,540.3

0.6

289

2

289

2

null

6

P -1

-P 1

2

- C65 H82 N4 Na2 O20 S4 -

- C130 H164 N8 Na4 O40 S8 -

2

1

KH1122

Long, De-Liang; Jin, Qun-Hua; Xin, Xin-Quan; Yu, Kai-bei

Bis(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-pentaoxabenzo[b]cyclopentadecene-O^1^,O^4^,O^7^,O^10^,O^13^)sodium(1+) 1,1,7,7-Tetracyano-3,5-dithiahepta-1,6-diene-2,6-dithiolate(2 ‒) (2/1)

Acta Crystallographica Section C

1,997

53

5

554

556

10.1107/S010827019601517X

0.71073

MoKα

0.0914

0.0521

null

0.1494

0.1368

null

0.954

1.193

null

has coordinates

Long, De-Liang; Jin, Qun-Hua; Xin, Xin-Quan; Yu, Kai-bei Bis(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-pentaoxabenzo[b]cyclopentadecene-O^1^,O^4^,O^7^,O^10^,O^13^)sodium(1+) 1,1,7,7-Tetracyano-3,5-dithiahepta-1,6-diene-2,6-dithiolate(2 ‒) (2/1) Acta Crystallographica Section C 53...

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/2/00/61/2006126.cif $ #-------------------------------------------------------------------...

2,006,127

10.085

0.002

19.66

0.002

13.096

0.002

90

null

96.683

0.008

90

null

2,578.9

0.7

298

null

298

null

6

P 1 21/n 1

-P 2yn

14

Aqua(p-chlorophenyl)diphenyl-N-phthaloylglycinatotin

- C28 H22 Cl N O5 Sn -

- C28 H22.01 Cl1.01 N O5 Sn -

- C112 H88.04 Cl4.04 N4 O20 Sn4 -

4

1

KH1124

Lo, Kong Mun; Ng, Seik Weng; Kumar Das, V. G.

Aqua(p-chlorophenyl)diphenyl(N-phthaloylglycinato)tin(IV)

Acta Crystallographica Section C

1,997

53

5

545

546

10.1107/S0108270196014837

0.71073

MoKα

0.0501

0.0342

null

0.0878

0.083

null

1.031

1.114

null

has coordinates

Lo, Kong Mun; Ng, Seik Weng; Kumar Das, V. G. Aqua(p-chlorophenyl)diphenyl(N-phthaloylglycinato)tin(IV) Acta Crystallographica Section C 53(5) (1997) 545-546

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/2/00/61/2006127.cif $ #-------------------------------------------------------------------...

4,322,090

10.3868

0.001

15.789

0.002

22.848

0.003

90

null

91.633

0.012

90

null

3,745.5

0.8

173

2

173

2

null

6

P 1 21/n 1

-P 2yn

14

- C39 H41 B9 O P2 Ru -

- C156 H164 B36 O4 P8 Ru4 -

4

1

Dianne D. Ellis; Samantha M. Couchman; John C. Jeffery; John M. Malget; F. Gordon A. Stone

The Reagent [K(18-crown-6)][RuH(PPh3)2(η5-7,8-C2B9H11)] as a Precursor to New Ruthenacarborane Complexes

Inorganic Chemistry

1,999

38

2981

2988

10.1021/ic990057q

0.71073

MoKα

0.07

0.0367

null

0.0952

0.0681

null

0.982

1.033

null

has coordinates

Dianne D. Ellis; Samantha M. Couchman; John C. Jeffery; John M. Malget; F. Gordon A. Stone The Reagent [K(18-crown-6)][RuH(PPh3)2(η5-7,8-C2B9H11)] as a Precursor to New Ruthenacarborane Complexes Inorganic Chemistry 38 (1999) 2981-2988

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/4/32/20/4322090.cif $ #-------------------------------------------------------------------...

2,006,128

11.003

0.001

13.3701

0.0009

18.408

0.002

90

null

96.734

0.005

90

null

2,689.3

0.4

298

2

2,980

2

null

5

P 1 21/n 1

-P 2yn

14

Tricyclohexyl-N-phthaloylglycinatotin

- C28 H39 N O4 Sn -

- C112 H156 N4 O16 Sn4 -

4

1

KH1125

Ng, Seik Weng; Kumar Das, V. G.

Tricyclohexyl(N-phthaloylglycinato)tin(IV)

Acta Crystallographica Section C

1,997

53

5

546

548

10.1107/S0108270196014849

0.71073

MoKα

0.0706

0.0446

null

0.0942

0.0862

null

0.98

1.081

null

has coordinates

Ng, Seik Weng; Kumar Das, V. G. Tricyclohexyl(N-phthaloylglycinato)tin(IV) Acta Crystallographica Section C 53(5) (1997) 546-548

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/2/00/61/2006128.cif $ #-------------------------------------------------------------------...

2,006,129

9.3375

0.0008

10.0667

0.0009

17.456

0.002

79.866

0.009

81.874

0.009

62.776

0.007

1,432.8

0.3

300

null

300

null

6

P -1

-P 1

2

Tricyclohexyltin N,N-diethyldithiocarbamoylacetate

- C25 H45 N O2 S2 Sn -

- C50 H90 N2 O4 S4 Sn2 -

2

1

KH1130

Ng, Seik Weng; Kumar Das, V. G.

Tricyclohexyl[(N,N-diethylthiocarbamoylthio)acetato-O]tin(IV)

Acta Crystallographica Section C

1,997

53

5

548

549

10.1107/S010827019601493X

0.71073

MoKα

0.0444

0.0375

null

0.1115

0.1058

null

1.166

1.182

null

has coordinates

Ng, Seik Weng; Kumar Das, V. G. Tricyclohexyl[(N,N-diethylthiocarbamoylthio)acetato-O]tin(IV) Acta Crystallographica Section C 53(5) (1997) 548-549

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/2/00/61/2006129.cif $ #-------------------------------------------------------------------...

2,006,130

10.5774

0.0004

7.0688

0.0003

25.62

0.001

90

null

90

null

90

null

1,915.6

0.13

300

null

300

null

4

P b c a

-P 2ac 2ab

61

2-Sulfobenzoic acid hydrate

Hydronium hydrogen 2-sulfobenzoate

- C7 H8 O6 S -

- C56 H64 O48 S8 -

8

1

KH1131

Ng, Seik Weng

Hydronium 2-Carboxybenzenesulfonate

Acta Crystallographica Section C

1,997

53

5

633

634

10.1107/S0108270196015326

0.71073

MoKα

0.0488

0.0393

null

0.1121

0.1057

null

1.032

1.085

null

has coordinates

Ng, Seik Weng Hydronium 2-Carboxybenzenesulfonate Acta Crystallographica Section C 53(5) (1997) 633-634

301,791

2025-08-18

23:15:28

#------------------------------------------------------------------------------ #$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/2/00/61/2006130.cif $ #-------------------------------------------------------------------...

2,006,131

5.795

0.004

9.059

0.004

16.081

0.007

84.24

0.04

84.2

0.04

77.85

0.05

818.3

0.8

150

0.2

150

0.2

null

5

P -1

-P 1

2

- C12 H15 O2 S4 Sb -

- C24 H30 O4 S8 Sb2 -

2

1

MU1305

Blake, Alexander J.; Pearson, Matthew; Sowerby, D. Bryan; Woodhead, Peter P.

Bis(ethylxanthato)phenylantimony(III)

Acta Crystallographica Section C

1,997

53

5

583

585

10.1107/S0108270197000620

0.71073

MoKα

0.0225

0.019

null

0.0417

0.0392

null

1.144

1.118

null

has coordinates

Blake, Alexander J.; Pearson, Matthew; Sowerby, D. Bryan; Woodhead, Peter P. Bis(ethylxanthato)phenylantimony(III) Acta Crystallographica Section C 53(5) (1997) 583-585

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/2/00/61/2006131.cif $ #-------------------------------------------------------------------...

2,006,132

8.7641

0.0004

26.785

0.002

12.5316

0.0007

90

null

104.412

0.004

90

null

2,849.2

0.3

293

null

293

null

6

P 1 21 1

P 2yb

4

cis-4-Amino-5-chloro-N-{1-[3-(4-fluorophenoxy)propyl]- 3-methoxy-4-piperidylium}-2-methoxybenzamide tartrate

- C27 H35 Cl F N3 O10 -

- C108 H140 Cl4 F4 N12 O40 -

4

2

NA1275

Oswald M. Peeters; Norbert M. Blaton; Camiel J. De Ranter

Absolute Configuration of the Double Salt of cis-4-Amino-5-chloro-N-{1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-1-ium-4-yl}-2-methoxybenzamide Tartrate (Cisapride Tartrate)

Acta Crystallographica Section C

1,997

53

5

597

599

10.1107/S0108270196015181

1.54184

CuKα

0.0511

0.0415

null

0.1092

null

1.032

null

has coordinates

Oswald M. Peeters; Norbert M. Blaton; Camiel J. De Ranter Absolute Configuration of the Double Salt of cis-4-Amino-5-chloro-N-{1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-1-ium-4-yl}-2-methoxybenzamide Tartrate (Cisapride Tartrate) Acta Crystallographica Section C 53(5) (1997) 597-599

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/2/00/61/2006132.cif $ #-------------------------------------------------------------------...

2,006,133

9.405

0.002

10.195

0.003

20.783

0.006

89.05

0.02

78.86

0.02

79.87

0.02

1,924.4

0.9

294

null

294

null

6

P -1

-P 1

2

- C33 H25 Cl3 Cu2 N8 O12 -

- C66 H50 Cl6 Cu4 N16 O24 -

2

1

NA1277

Bulach, Véronique; Duval, Hugues; Fischer, Jean; Weiss, Raymond

μ-Cyano-bis(2,2':6',2''-terpyridine-N,N',N'')dicopper(II) Perchlorate Acetonitrile, [Cu~2~(CN)(C~15~H~11~N~3~)~2~](ClO~4~)~3~.CH~3~CN

Acta Crystallographica Section C

1,997

53

5

543

545

10.1107/S0108270196015570

0.71073

MoKα

0.143

0.049

null

0.116

0.07

null

2.29

1.361

null

has coordinates

Bulach, Véronique; Duval, Hugues; Fischer, Jean; Weiss, Raymond μ-Cyano-bis(2,2':6',2''-terpyridine-N,N',N'')dicopper(II) Perchlorate Acetonitrile, [Cu~2~(CN)(C~15~H~11~N~3~)~2~](ClO~4~)~3~.CH~3~CN Acta Crystallographica Section C 53(5) (1997) 543-545

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/2/00/61/2006133.cif $ #-------------------------------------------------------------------...

4,322,089

17.996

0.005

13.44

0.003

19.689

0.006

90

null

110.41

0.03

90

null

4,463

2

293

2

293

2

null

8

P 1 21/n 1

-P 2yn

14

- C40 H44 B9 Cl2 Cu O P2 Ru -

- C160 H176 B36 Cl8 Cu4 O4 P8 Ru4 -

4

1

Dianne D. Ellis; Samantha M. Couchman; John C. Jeffery; John M. Malget; F. Gordon A. Stone

The Reagent [K(18-crown-6)][RuH(PPh3)2(η5-7,8-C2B9H11)] as a Precursor to New Ruthenacarborane Complexes

Inorganic Chemistry

1,999

38

2981

2988

10.1021/ic990057q

0.71073

MoKα

0.1081

0.0622

null

0.1354

0.1203

null

1.136

1.284

null

has coordinates,has disorder

Dianne D. Ellis; Samantha M. Couchman; John C. Jeffery; John M. Malget; F. Gordon A. Stone The Reagent [K(18-crown-6)][RuH(PPh3)2(η5-7,8-C2B9H11)] as a Precursor to New Ruthenacarborane Complexes Inorganic Chemistry 38 (1999) 2981-2988

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/4/32/20/4322089.cif $ #-------------------------------------------------------------------...

2,006,134

10.267

0.001

8.505

0.001

14.996

0.001

90

null

96.85

0.01

90

null

1,300.1

0.2

298

null

299

null

3

P 1 21/a 1

-P 2yab

14

3-acetonylbicyclo[6.3.0]undecane-2,6-dione

- C14 H20 O3 -

- C56 H80 O12 -

4

1

OA1017

Ohba, Shigeru; Umehara, Misao

3-Acetonylbicyclo[6.3.0]undecane-2,6-dione, (I), 7-Acetonyl-4,4-dimethylbicyclo[6.3.0]undecane-2,6-dione, (II), 7,12-Dihydroxy-12-methyltetracyclo[8.2.1.0^1,5^.0^7,11^]tridecan-13-one Monohydrate, (III), and 8,8-Dimethyltricyclo[9.3.0.0^2,6^]tetradec-5-ene-4,10-dione, (IV)

Acta Crystallographica Section C

1,997

53

5

616

620

10.1107/S0108270196015661

0.71073

MoKα

null

0.0605

null

0.0529

null

1.16

null

has coordinates

Ohba, Shigeru; Umehara, Misao 3-Acetonylbicyclo[6.3.0]undecane-2,6-dione, (I), 7-Acetonyl-4,4-dimethylbicyclo[6.3.0]undecane-2,6-dione, (II), 7,12-Dihydroxy-12-methyltetracyclo[8.2.1.0^1,5^.0^7,11^]tridecan-13-one Monohydrate, (III), and 8,8-Dimethyltricyclo[9.3.0.0^2,6^]tetradec-5-ene-4,10-dione, (IV) Acta Crystallogr...

301,791

2025-08-18

23:15:28

#------------------------------------------------------------------------------ #$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/2/00/61/2006134.cif $ #-------------------------------------------------------------------...

2,006,135

9.966

0.002

10.794

0.002

8.171

0.002

98.03

0.02

111.46

0.02

106.98

0.02

751.8

0.3

297

null

299

null

3

P -1

-P 1

2

7-acetonyl-4,4-dimethylbicyclo[6.3.0]undecane-2,6-dione

- C16 H24 O3 -

- C32 H48 O6 -

2

1

OA1017

Ohba, Shigeru; Umehara, Misao

3-Acetonylbicyclo[6.3.0]undecane-2,6-dione, (I), 7-Acetonyl-4,4-dimethylbicyclo[6.3.0]undecane-2,6-dione, (II), 7,12-Dihydroxy-12-methyltetracyclo[8.2.1.0^1,5^.0^7,11^]tridecan-13-one Monohydrate, (III), and 8,8-Dimethyltricyclo[9.3.0.0^2,6^]tetradec-5-ene-4,10-dione, (IV)

Acta Crystallographica Section C

1,997

53

5

616

620

10.1107/S0108270196015661

0.71073

MoKα

null

0.0537

null

0.047

null

1

null

has coordinates

Ohba, Shigeru; Umehara, Misao 3-Acetonylbicyclo[6.3.0]undecane-2,6-dione, (I), 7-Acetonyl-4,4-dimethylbicyclo[6.3.0]undecane-2,6-dione, (II), 7,12-Dihydroxy-12-methyltetracyclo[8.2.1.0^1,5^.0^7,11^]tridecan-13-one Monohydrate, (III), and 8,8-Dimethyltricyclo[9.3.0.0^2,6^]tetradec-5-ene-4,10-dione, (IV) Acta Crystallogr...

301,791

2025-08-18

23:15:28

#------------------------------------------------------------------------------ #$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/2/00/61/2006135.cif $ #-------------------------------------------------------------------...

4,322,088

14.735

0.002

14.976

0.002

24.066

0.003

76.94

0.01

76.19

0.01

62.11

0.01

4,517.5

1.1

223

2

223

2

null

5

P -1

-P 1

2

- C46 H132 Cl4 Si16 Sn4 -

- C44.5 H108 Cl4 Si16 Sn4 -

- C89 H216 Cl8 Si32 Sn8 -

2

1

S. P. Mallela; Yochen Saar; Sven Hill; R. A. Geanangel

Reactions of LiE(SiMe3)3, E = Si, Ge: X-ray Crystal Structure of the Cyclotetrastannane [ClSnSi(SiMe3)3]4

Inorganic Chemistry

1,999

38

2957

2960

10.1021/ic9900455

0.71073

MoKα

0.0373

0.0269

null

0.0739

0.0812

null

1.059

null

has coordinates

S. P. Mallela; Yochen Saar; Sven Hill; R. A. Geanangel Reactions of LiE(SiMe3)3, E = Si, Ge: X-ray Crystal Structure of the Cyclotetrastannane [ClSnSi(SiMe3)3]4 Inorganic Chemistry 38 (1999) 2957-2960

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/4/32/20/4322088.cif $ #-------------------------------------------------------------------...

2,006,136

8.115

0.002

17.959

0.002

9.034

0.002

90

null

94.71

0.02

90

null

1,312.1

0.5

298

null

299

null

3

P 1 21/n 1

-P 2yn

14

1,13-dihydroxy-13-methyltetracyclo[9.3.0.0^2,6^]tetradec-2-ene-4,9-dione

- C14 H22 O4 -

- C56 H88 O16 -

4

1

OA1017

Ohba, Shigeru; Umehara, Misao

3-Acetonylbicyclo[6.3.0]undecane-2,6-dione, (I), 7-Acetonyl-4,4-dimethylbicyclo[6.3.0]undecane-2,6-dione, (II), 7,12-Dihydroxy-12-methyltetracyclo[8.2.1.0^1,5^.0^7,11^]tridecan-13-one Monohydrate, (III), and 8,8-Dimethyltricyclo[9.3.0.0^2,6^]tetradec-5-ene-4,10-dione, (IV)

Acta Crystallographica Section C

1,997

53

5

616

620

10.1107/S0108270196015661

0.71073

MoKα

null

0.0564

null

0.0538

null

1.24

null

has coordinates

Ohba, Shigeru; Umehara, Misao 3-Acetonylbicyclo[6.3.0]undecane-2,6-dione, (I), 7-Acetonyl-4,4-dimethylbicyclo[6.3.0]undecane-2,6-dione, (II), 7,12-Dihydroxy-12-methyltetracyclo[8.2.1.0^1,5^.0^7,11^]tridecan-13-one Monohydrate, (III), and 8,8-Dimethyltricyclo[9.3.0.0^2,6^]tetradec-5-ene-4,10-dione, (IV) Acta Crystallogr...

301,791

2025-08-18

23:15:28

#------------------------------------------------------------------------------ #$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/2/00/61/2006136.cif $ #-------------------------------------------------------------------...

4,322,087

18.2688

0.0008

7.0112

0.0004

22.6479

0.001

90

null

90

null

90

null

2,900.9

0.2

196

null

293

2

null

5

P c a 21

P 2c -2ac

29

- C18 H42 Cl4 Li4 N6 -

- C72 H168 Cl16 Li16 N24 -

4

1

Alexander Jockisch; Hubert Schmidbaur

An "Open Cube" Lithium Chloride Tetramer Containing Azetidine Ligands

Inorganic Chemistry

1,999

38

3014

3016

10.1021/ic9900307

0.71073

MoKα

0.0548

0.0409

null

0.1122

0.1015

null

1.046

1.056

null

has coordinates

Alexander Jockisch; Hubert Schmidbaur An "Open Cube" Lithium Chloride Tetramer Containing Azetidine Ligands Inorganic Chemistry 38 (1999) 3014-3016

301,838

2025-08-20

22:17:36

#------------------------------------------------------------------------------ #$Date: 2025-08-21 01:01:10 +0300 (Thu, 21 Aug 2025) $ #$Revision: 301838 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/20/4322087.cif $ #-------------------------------------------------------------------...

2,006,137

8.689

0.002

13.862

0.002

5.96

0.001

94.12

0.01

100.47

0.01

107.7

0.01

666.3

0.2

296

null

296

null

3

P -1

-P 1

2

- C16 H22 O2 -

- C32 H44 O4 -

2

1

OA1017

Ohba, Shigeru; Umehara, Misao

3-Acetonylbicyclo[6.3.0]undecane-2,6-dione, (I), 7-Acetonyl-4,4-dimethylbicyclo[6.3.0]undecane-2,6-dione, (II), 7,12-Dihydroxy-12-methyltetracyclo[8.2.1.0^1,5^.0^7,11^]tridecan-13-one Monohydrate, (III), and 8,8-Dimethyltricyclo[9.3.0.0^2,6^]tetradec-5-ene-4,10-dione, (IV)

Acta Crystallographica Section C

1,997

53

5

616

620

10.1107/S0108270196015661

0.71073

MoKα

null

0.0439

null

0.0406

null

0.969

null

has coordinates

Ohba, Shigeru; Umehara, Misao 3-Acetonylbicyclo[6.3.0]undecane-2,6-dione, (I), 7-Acetonyl-4,4-dimethylbicyclo[6.3.0]undecane-2,6-dione, (II), 7,12-Dihydroxy-12-methyltetracyclo[8.2.1.0^1,5^.0^7,11^]tridecan-13-one Monohydrate, (III), and 8,8-Dimethyltricyclo[9.3.0.0^2,6^]tetradec-5-ene-4,10-dione, (IV) Acta Crystallogr...

301,791

2025-08-18

23:15:28

#------------------------------------------------------------------------------ #$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/2/00/61/2006137.cif $ #-------------------------------------------------------------------...

2,006,138

6.159

0.002

8.332

0.003

23.306

0.002

90

null

90.93

0.02

90

null

1,195.8

0.6

300

null

300

null

3

P 1 21/n 1

-P 2yn

14

(E)-o-stilbenecarboxylic acid

- C15 H12 O2 -

- C60 H48 O8 -

4

1

OA1018

Hamazaki, Hiroshi; Ohba, Shigeru; Toda, Fumio; Takumi, Hideaki

(E)-o-Stilbenecarboxylic Acid and its p-Methyl, Chloro and Methoxy Derivatives

Acta Crystallographica Section C

1,997

53

5

620

624

10.1107/S0108270196015673

0.71073

MoKα

null

0.0468

null

0.0422

null

1.24

null

has coordinates

Hamazaki, Hiroshi; Ohba, Shigeru; Toda, Fumio; Takumi, Hideaki (E)-o-Stilbenecarboxylic Acid and its p-Methyl, Chloro and Methoxy Derivatives Acta Crystallographica Section C 53(5) (1997) 620-624

301,791

2025-08-18

23:15:28

#------------------------------------------------------------------------------ #$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/2/00/61/2006138.cif $ #-------------------------------------------------------------------...

2,006,139

7.138

0.002

12.036

0.002

14.874

0.002

90

null

91.74

0.02

90

null

1,277.3

0.5

300

null

300

null

3

P 1 21/n 1

-P 2yn

14

p-methyl-(E)-o-stilbenecarboxylic acid

- C16 H14 O2 -

- C64 H56 O8 -

4

1

OA1018

Hamazaki, Hiroshi; Ohba, Shigeru; Toda, Fumio; Takumi, Hideaki

(E)-o-Stilbenecarboxylic Acid and its p-Methyl, Chloro and Methoxy Derivatives

Acta Crystallographica Section C

1,997

53

5

620

624

10.1107/S0108270196015673

0.71073

MoKα

null

0.0456

null

0.051

null

1.2

null

has coordinates

Hamazaki, Hiroshi; Ohba, Shigeru; Toda, Fumio; Takumi, Hideaki (E)-o-Stilbenecarboxylic Acid and its p-Methyl, Chloro and Methoxy Derivatives Acta Crystallographica Section C 53(5) (1997) 620-624

301,791

2025-08-18

23:15:28

#------------------------------------------------------------------------------ #$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/2/00/61/2006139.cif $ #-------------------------------------------------------------------...

2,006,140

12.977

0.005

8.023

0.004

25.171

0.003

90

null

103.56

0.02

90

null

2,547.6

1.6

300

null

300

null

4

P 1 21/n 1

-P 2yn

14

p-chloro-(E)-o-stilbenecarboxylic acid

- C15 H11 Cl O2 -

- C120 H88 Cl8 O16 -

8

2

OA1018

Hamazaki, Hiroshi; Ohba, Shigeru; Toda, Fumio; Takumi, Hideaki

(E)-o-Stilbenecarboxylic Acid and its p-Methyl, Chloro and Methoxy Derivatives

Acta Crystallographica Section C

1,997

53

5

620

624

10.1107/S0108270196015673

0.71073

MoKα

null

0.0505

null

0.0452

null

1.23

null

has coordinates

Hamazaki, Hiroshi; Ohba, Shigeru; Toda, Fumio; Takumi, Hideaki (E)-o-Stilbenecarboxylic Acid and its p-Methyl, Chloro and Methoxy Derivatives Acta Crystallographica Section C 53(5) (1997) 620-624

301,791

2025-08-18

23:15:28

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4,322,086

8.29

0.002

12.65

0.003

15.69

0.003

90

null

99.22

0.03

90

null

1,624.1

0.6

293

2

293

2

null

6

P 1 21/n 1

-P 2yn

14

- C9 H28 Cl2 N4 O2 Zn -

- C36 H112 Cl8 N16 O8 Zn4 -

4

1

Elena V. Rybak-Akimova; Alexander Y. Nazarenko; Svetlana S. Silchenko

Unusual Ligand Isomerization Dictated by Coordination Requirements of the Metal Ion: A Double-Bond Shift in Cu(II)-Assisted Template Condensation between Diacetylpyridine and a Tripodal Tetramine

Inorganic Chemistry

1,999

38

2974

2980

10.1021/ic990027n

0.71069

MoKα

0.1073

0.0505

null

0.0999

0.1201

null

0.997

null

has coordinates

Elena V. Rybak-Akimova; Alexander Y. Nazarenko; Svetlana S. Silchenko Unusual Ligand Isomerization Dictated by Coordination Requirements of the Metal Ion: A Double-Bond Shift in Cu(II)-Assisted Template Condensation between Diacetylpyridine and a Tripodal Tetramine Inorganic Chemistry 38 (1999) 2974-2980

301,838

2025-08-20

22:17:36

#------------------------------------------------------------------------------ #$Date: 2025-08-21 01:01:10 +0300 (Thu, 21 Aug 2025) $ #$Revision: 301838 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/20/4322086.cif $ #-------------------------------------------------------------------...

2,006,141

11.361

0.002

5.066

0.003

22.71

0.002

90

null

98.45

0.01

90

null

1,292.9

0.8

300

null

300

null

4

P 1 21/n 1

-P 2yn

14

p-chloro-(E)-o-stilbenecarboxylic acid

- C15 H11 Cl O2 -

- C60 H44 Cl4 O8 -

4

1

OA1018

Hamazaki, Hiroshi; Ohba, Shigeru; Toda, Fumio; Takumi, Hideaki

(E)-o-Stilbenecarboxylic Acid and its p-Methyl, Chloro and Methoxy Derivatives

Acta Crystallographica Section C

1,997

53

5

620

624

10.1107/S0108270196015673

0.71073

MoKα

null

0.0699

null

0.0531

null

1.25

null

has coordinates

Hamazaki, Hiroshi; Ohba, Shigeru; Toda, Fumio; Takumi, Hideaki (E)-o-Stilbenecarboxylic Acid and its p-Methyl, Chloro and Methoxy Derivatives Acta Crystallographica Section C 53(5) (1997) 620-624

301,791

2025-08-18

23:15:28

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2,006,142

11.28

0.002

5.273

0.002

22.462

0.002

90

null

103

0.01

90

null

1,301.8

0.6

300

null

300

null

3

P 1 21/n 1

-P 2yn

14

p-methoxy-(E)-o-stilbenecarboxylic acid

- C16 H14 O3 -

- C64 H56 O12 -

4

1

OA1018

Hamazaki, Hiroshi; Ohba, Shigeru; Toda, Fumio; Takumi, Hideaki

(E)-o-Stilbenecarboxylic Acid and its p-Methyl, Chloro and Methoxy Derivatives

Acta Crystallographica Section C

1,997

53

5

620

624

10.1107/S0108270196015673

0.71073

MoKα

null

0.0512

null

0.0463

null

1.14

null

has coordinates

Hamazaki, Hiroshi; Ohba, Shigeru; Toda, Fumio; Takumi, Hideaki (E)-o-Stilbenecarboxylic Acid and its p-Methyl, Chloro and Methoxy Derivatives Acta Crystallographica Section C 53(5) (1997) 620-624

301,791

2025-08-18

23:15:28

#------------------------------------------------------------------------------ #$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/2/00/61/2006142.cif $ #-------------------------------------------------------------------...

2,006,143

6.0178

0.0006

28.449

0.003

8.0272

0.0009

90

null

90

null

90

null

1,374.3

0.3

294

1

294

1

null

3

P 21 21 21

P 2ac 2ab

19

5-Phenyldibenzophosphole

- C18 H13 P -

- C72 H52 P4 -

4

1

QA0001

Meehan, Paul R.; Alyea, Elmer C.; Ferguson, George

5-Phenyldibenzophosphole, Polymorph 2

Acta Crystallographica Section C

1,997

53

5

IUC9700001

10.1107/S0108270197099526

0.7107

MolybdenumKα

0.0909

0.0495

null

0.1473

null

0.1297

null

0.971

null

1.09

null

has coordinates,has Fobs

Meehan, Paul R.; Alyea, Elmer C.; Ferguson, George 5-Phenyldibenzophosphole, Polymorph 2 Acta Crystallographica Section C 53(5) (1997) IUC9700001

301,791

2025-08-18

23:15:28

#------------------------------------------------------------------------------ #$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/2/00/61/2006143.cif $ #-------------------------------------------------------------------...

2,006,144

6.1276

0.0007

12.1791

0.0012

8.9973

0.0012

90

null

105.07

0.01

90

null

648.36

0.13

294

1

294

1

null

6

P 1 21/c 1

-P 2ybc

14

Potassium Hexaaquanickel(II)/Hexaaquairon(II)(0.93/0.07) Sulfate

- Fe0.07 H12 K2 Ni0.93 O14 S2 -

- Fe0.14 H24 K4 Ni1.86 O28 S4 -

2

0.5

QA0002

Ferguson, George; Spalding, Trevor R.; Herlihy, Emmet A.

Dipotassium Hexaaquairon(II) Bis(sulfate)‒Dipotassium Hexaaquanickel(II) Bis(sulfate) (0.07/0.93)

Acta Crystallographica Section C

1,997

53

5

IUC9700002

10.1107/S010827019709954X

0.7107

MolybdenumKα

0.022

0.0204

null

0.0572

null

0.0567

null

1.176

null

1.197

null

has coordinates

Ferguson, George; Spalding, Trevor R.; Herlihy, Emmet A. Dipotassium Hexaaquairon(II) Bis(sulfate)‒Dipotassium Hexaaquanickel(II) Bis(sulfate) (0.07/0.93) Acta Crystallographica Section C 53(5) (1997) IUC9700002

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/2/00/61/2006144.cif $ #-------------------------------------------------------------------...

2,006,145

8.54

0.0011

5.2249

0.0014

10.2686

0.0008

90

null

97.191

0.008

90

null

454.59

0.14

296

null

296

null

4

P 1 21 1

P 2yb

4

1-(2-deoxy-α-L-erythro-pentopyranosyl) 1-(S),2-(S), 4-triazolidine-3,5-dione

- C7 H11 N3 O5 -

- C14 H22 N6 O10 -

2

1

QB0001

Robinson, Paul D.; Kolb, Vera M.; Colloton, Patricia A.; Meyers, Cal Y.

First Example of a Crystalline Urazole Nucleoside with an L-Configured Sugar. (1S,2S)-Urazole α-L-Pyranosyl-2-deoxyriboside

Acta Crystallographica Section C

1,997

53

5

IUC9700003

10.1107/S0108270197099514

0.71069

MoKα

0.0526

0.0341

null

0.1019

null

0.0914

null

1.042

1.078

null

has coordinates

Robinson, Paul D.; Kolb, Vera M.; Colloton, Patricia A.; Meyers, Cal Y. First Example of a Crystalline Urazole Nucleoside with an L-Configured Sugar. (1S,2S)-Urazole α-L-Pyranosyl-2-deoxyriboside Acta Crystallographica Section C 53(5) (1997) IUC9700003

301,791

2025-08-18

23:15:28

#------------------------------------------------------------------------------ #$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/2/00/61/2006145.cif $ #-------------------------------------------------------------------...

2,006,146

8.804

0.002

14.208

0.001

13.931

0.001

90

null

103.57

0.01

90

null

1,693.9

0.4

298

null

6

P 1 21/c 1

-P 2ybc

14

Bis(2-(2-pyridyl)-4,4,5,5-tetramethyl-4,5-dihydro-[H-imidazolyl-1-oxy 3-oxide)dichlorocopper(II) Bis(methylene chloride) Solvate

- C26 H36 Cl6 Cu N6 O4 -

- C52 H72 Cl12 Cu2 N12 O8 -

2

0.5

QB0002

Ohba, Shigeru; Kato, Takanari; Yoshioka, Naoki; Inoue, Hidenari

Dichlorobis[4,4,5,5-tetramethyl-2-(2-pyridyl)-4,5-dihydro-1H-imidazol-1-yloxy 3-oxide]copper(II) Bis(dichloromethane) Solvate

Acta Crystallographica Section C

1,997

53

5

IUC9700004

10.1107/S0108270197099538

0.71073

MoKα

null

0.0417

null

0.0374

null

1.18

null

has coordinates

Ohba, Shigeru; Kato, Takanari; Yoshioka, Naoki; Inoue, Hidenari Dichlorobis[4,4,5,5-tetramethyl-2-(2-pyridyl)-4,5-dihydro-1H-imidazol-1-yloxy 3-oxide]copper(II) Bis(dichloromethane) Solvate Acta Crystallographica Section C 53(5) (1997) IUC9700004

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/2/00/61/2006146.cif $ #-------------------------------------------------------------------...

4,322,085

16.676

0.004

9.238

0.002

17.46

0.004

90

null

112.03

0.02

90

null

2,493.4

1

293

2

293

2

null

6

P 1 21/c 1

-P 2ybc

14

- C18 H30 Cl2 Cu N5 O8.5 -

- C18 H29 Cl2 Cu N5 O8.5 -

- C72 H116 Cl8 Cu4 N20 O34 -

4

1

Elena V. Rybak-Akimova; Alexander Y. Nazarenko; Svetlana S. Silchenko

Unusual Ligand Isomerization Dictated by Coordination Requirements of the Metal Ion: A Double-Bond Shift in Cu(II)-Assisted Template Condensation between Diacetylpyridine and a Tripodal Tetramine

Inorganic Chemistry

1,999

38

2974

2980

10.1021/ic990027n

0.71073

MoKα

0.0915

0.0602

null

0.1539

0.1764

null

1.011

null

has coordinates

Elena V. Rybak-Akimova; Alexander Y. Nazarenko; Svetlana S. Silchenko Unusual Ligand Isomerization Dictated by Coordination Requirements of the Metal Ion: A Double-Bond Shift in Cu(II)-Assisted Template Condensation between Diacetylpyridine and a Tripodal Tetramine Inorganic Chemistry 38 (1999) 2974-2980

176,467

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $ #$Revision: 176467 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/20/4322085.cif $ #-------------------------------------------------------------------...

2,006,147

8.94

0.003

14.259

0.004

25.929

0.007

90

null

90

null

90

null

3,305.3

1.7

158

2

158

2

null

5

P b c a

-P 2ac 2ab

61

3,3-Dimethyl-1,8,11-triaza-5-azoniumcyclotridecane Perchlorate Water.

- C11 H29 Cl N4 O5 -

- C88 H232 Cl8 N32 O40 -

8

1

SK1026

Gladkikh, Olga P.; Curtis, Neil F.; Turnbull, Mark M.

A 13-Membered Cyclic Tetraamine Salt: 12,12-Dimethyl-4,7,10-triaza-1-azoniacyclotridecane Perchlorate Hydrate

Acta Crystallographica Section C

1,997

53

5

586

587

10.1107/S0108270196015193

0.71073

MoKα

0.0777

0.0468

null

0.1115

0.1039

null

0.878

1.067

null

has coordinates,has Fobs

Gladkikh, Olga P.; Curtis, Neil F.; Turnbull, Mark M. A 13-Membered Cyclic Tetraamine Salt: 12,12-Dimethyl-4,7,10-triaza-1-azoniacyclotridecane Perchlorate Hydrate Acta Crystallographica Section C 53(5) (1997) 586-587

301,791

2025-08-18

23:15:28

#------------------------------------------------------------------------------ #$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/2/00/61/2006147.cif $ #-------------------------------------------------------------------...

2,006,148

13.798

0.005

20.533

0.009

13.85

0.006

90

null

104.5

0.03

90

null

3,799

3

293

2

293

2

null

5

P 1 21/n 1

-P 2yn

14

Bis(triphenylphospine)1,1,2,3,3-pentacyanpropenide copper(I)

- C88 H60 Cu2 N10 P4 -

- C176 H120 Cu4 N20 P8 -

2

0.5

SK1037

Dvorský, Andrej; Kožíšek, Jozef; Jäger, Lothar; Tretner, Carola

Bis[(1,1,2,3,3-pentacyanopropenido-N^1^:N^2^)bis(triphenylphosphine-P)copper(I)]

Acta Crystallographica Section C

1,997

53

5

556

559

10.1107/S0108270196015211

0.71073

MoKα

0.1307

0.0436

null

0.1034

0.0815

null

0.907

1.074

null

has coordinates,has disorder

Dvorský, Andrej; Kožíšek, Jozef; Jäger, Lothar; Tretner, Carola Bis[(1,1,2,3,3-pentacyanopropenido-N^1^:N^2^)bis(triphenylphosphine-P)copper(I)] Acta Crystallographica Section C 53(5) (1997) 556-559

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/2/00/61/2006148.cif $ #-------------------------------------------------------------------...

2,006,149

6.811

0.002

11.079

0.002

14.907

0.002

91.82

0.03

96.53

0.03

105.41

0.03

1,075.1

0.4

293

2

293

2

null

5

P -1

-P 1

2

- C23 H22 N2 O4 S -

- C46 H44 N4 O8 S2 -

2

1

SK1039

Işık, Şamil; Aygün, Muhittin; Şaşmaz, Selami; Kendi, Engin; Büyükgüngör, Orhan; Erdönmez, Ahmet

5-Allyl-3-methoxy-2-(p-tolylsulfonyloxy)azobenzene

Acta Crystallographica Section C

1,997

53

5

593

594

10.1107/S0108270196011596

0.71069

MoKα

0.0534

0.044

null

0.1234

0.117

null

1.063

1.092

null

has coordinates,has disorder

Işık, Şamil; Aygün, Muhittin; Şaşmaz, Selami; Kendi, Engin; Büyükgüngör, Orhan; Erdönmez, Ahmet 5-Allyl-3-methoxy-2-(p-tolylsulfonyloxy)azobenzene Acta Crystallographica Section C 53(5) (1997) 593-594

301,791

2025-08-18

23:15:28

#------------------------------------------------------------------------------ #$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/2/00/61/2006149.cif $ #-------------------------------------------------------------------...

2,006,150

7.812

0.001

12

0.001

17.161

0.001

78.92

0.02

84.32

0.02

72.23

0.02

1,502

0.3

293

3

293

3

null

5

P -1

-P 1

2

1:1:1 methanol . [2,4-diamino-5-(3,4,5-trimethoxybenzyl)pyrimidine] . [4-amino-N-(4,6-dimethyl-2-pyrimidinyl)benzene-sulfonamide]

- C27 H36 N8 O6 S -

- C54 H72 N16 O12 S2 -

2

1

SK1047

Bettinetti, Giampiero; Sardone, Nicola

Methanol Solvate of the 1:1 Molecular Complex of Trimethoprim and Sulfadimidine

Acta Crystallographica Section C

1,997

53

5

594

597

10.1107/S0108270196014783

1.54184

CuKα

0.044

0.042

null

0.041

null

0.632

null

has coordinates

Bettinetti, Giampiero; Sardone, Nicola Methanol Solvate of the 1:1 Molecular Complex of Trimethoprim and Sulfadimidine Acta Crystallographica Section C 53(5) (1997) 594-597

301,791

2025-08-18

23:15:28

#------------------------------------------------------------------------------ #$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/2/00/61/2006150.cif $ #-------------------------------------------------------------------...

2,006,151

15.543

0.002

14.025

0.001

14.676

0.005

90

null

112.42

0.02

90

null

2,957.4

1.2

292

null

292

null

7

C 1 2/c 1

-C 2yc

15

Hexakis(Thiourea)cadmium perrhenate monohydrate

- C6 H26 Cd N12 O9 Re2 S6 -

- C24 H104 Cd4 N48 O36 Re8 S24 -

4

0.5

SK1053

Rosica Petrova; Olyana Angelova; Josef Macíček

Molecular Adducts of Inorganic Salts. VII. Cadmium Tetraoxorhenium Hexakis(thiourea) Hydrate

Acta Crystallographica Section C

1,997

53

5

565

568

10.1107/S0108270196015107

0.71073

MoKα

0.068

0.032

null

0.035

null

1.264

1.286

null

has coordinates

Rosica Petrova; Olyana Angelova; Josef Macíček Molecular Adducts of Inorganic Salts. VII. Cadmium Tetraoxorhenium Hexakis(thiourea) Hydrate Acta Crystallographica Section C 53(5) (1997) 565-568

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/2/00/61/2006151.cif $ #-------------------------------------------------------------------...

4,322,084

7.9599

0.0017

15.62

0.003

19.695

0.003

90

null

100.439

0.017

90

null

2,408.2

0.8

293

2

293

2

null

6

P 1 21/n 1

-P 2yn

14

- C18 H29 Cl2 N5 Ni O8 -

- C72 H116 Cl8 N20 Ni4 O32 -

4

1

Elena V. Rybak-Akimova; Alexander Y. Nazarenko; Svetlana S. Silchenko

Unusual Ligand Isomerization Dictated by Coordination Requirements of the Metal Ion: A Double-Bond Shift in Cu(II)-Assisted Template Condensation between Diacetylpyridine and a Tripodal Tetramine

Inorganic Chemistry

1,999

38

2974

2980

10.1021/ic990027n

0.71073

MoKα

0.1036

0.0657

null

0.1643

0.1937

null

1.04

null

has coordinates,has disorder

Elena V. Rybak-Akimova; Alexander Y. Nazarenko; Svetlana S. Silchenko Unusual Ligand Isomerization Dictated by Coordination Requirements of the Metal Ion: A Double-Bond Shift in Cu(II)-Assisted Template Condensation between Diacetylpyridine and a Tripodal Tetramine Inorganic Chemistry 38 (1999) 2974-2980

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/4/32/20/4322084.cif $ #-------------------------------------------------------------------...

2,006,152

10.338

0.002

8.687

0.002

10.756

0.002

90

null

95.05

0.01

90

null

962.2

0.3

290

null

290

null

5

C 1 2/c 1

-C 2yc

15

nitropentaammine Co(III) chloride

- Cl2 Co H15 N6 O2 -

- Cl8 Co4 H60 N24 O8 -

4

0.5

SK1068

Boldyreva, Elena V.; Kivikoski, Jussi; Howard, J. A. K.

Pentaamminenitrocobalt(III) Dichloride and Dibromide at 290K and 150K

Acta Crystallographica Section C

1,997

53

5

523

526

10.1107/S0108270196014205

0.71073

MoKα

0.0208

0.0175

null

0.0479

0.0464

null

0.984

0.994

null

has coordinates

Boldyreva, Elena V.; Kivikoski, Jussi; Howard, J. A. K. Pentaamminenitrocobalt(III) Dichloride and Dibromide at 290K and 150K Acta Crystallographica Section C 53(5) (1997) 523-526

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/2/00/61/2006152.cif $ #-------------------------------------------------------------------...

2,006,153

10.215

0.003

8.697

0.004

10.748

0.003

90

null

95.41

0.02

90

null

950.6

0.6

150

null

150

null

5

C 1 2/c 1

-C 2yc

15

nitropentaammine Co(III) chloride

- Cl2 Co H15 N6 O2 -

- Cl8 Co4 H60 N24 O8 -

4

0.5

SK1068

Boldyreva, Elena V.; Kivikoski, Jussi; Howard, J. A. K.

Pentaamminenitrocobalt(III) Dichloride and Dibromide at 290K and 150K

Acta Crystallographica Section C

1,997

53

5

523

526

10.1107/S0108270196014205

0.71073

MoKα

0.0174

0.0152

null

0.0379

0.0372

null

1.106

1.124

null

has coordinates

Boldyreva, Elena V.; Kivikoski, Jussi; Howard, J. A. K. Pentaamminenitrocobalt(III) Dichloride and Dibromide at 290K and 150K Acta Crystallographica Section C 53(5) (1997) 523-526

176,759

2020-10-21

18:00:00

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2,006,154

10.68

0.003

8.838

0.004

10.99

0.003

90

null

94.7

0.02

90

null

1,033.9

0.6

290

null

290

null

5

C 1 2/c 1

-C 2yc

15

nitropentaammine Co(III) bromide

- Br2 Co H15 N6 O2 -

- Br8 Co4 H60 N24 O8 -

4

0.5

SK1068

Boldyreva, Elena V.; Kivikoski, Jussi; Howard, J. A. K.

Pentaamminenitrocobalt(III) Dichloride and Dibromide at 290K and 150K

Acta Crystallographica Section C

1,997

53

5

523

526

10.1107/S0108270196014205

0.71073

MoKα

0.0395

0.0214

null

0.0522

0.049

null

1.036

1.104

null

has coordinates

Boldyreva, Elena V.; Kivikoski, Jussi; Howard, J. A. K. Pentaamminenitrocobalt(III) Dichloride and Dibromide at 290K and 150K Acta Crystallographica Section C 53(5) (1997) 523-526

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/2/00/61/2006154.cif $ #-------------------------------------------------------------------...

2,006,155

10.575

0.002

8.815

0.005

10.97

0.002

90

null

94.97

0.02

90

null

1,018.8

0.6

150

null

150

null

5

C 1 2/c 1

-C 2yc

15

nitropentaammine Co(III) bromide

- Br2 Co H15 N6 O2 -

- Br8 Co4 H60 N24 O8 -

4

0.5

SK1068

Boldyreva, Elena V.; Kivikoski, Jussi; Howard, J. A. K.

Pentaamminenitrocobalt(III) Dichloride and Dibromide at 290K and 150K

Acta Crystallographica Section C

1,997

53

5

523

526

10.1107/S0108270196014205

0.71073

MoKα

0.0294

0.0188

null

0.0485

0.0465

null

1.1

1.156

null

has coordinates

Boldyreva, Elena V.; Kivikoski, Jussi; Howard, J. A. K. Pentaamminenitrocobalt(III) Dichloride and Dibromide at 290K and 150K Acta Crystallographica Section C 53(5) (1997) 523-526

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/2/00/61/2006155.cif $ #-------------------------------------------------------------------...

2,006,156

12.736

0.005

12.911

0.002

9.805

0.002

102.62

0.01

100.02

0.02

71.58

0.02

1,483.1

0.7

294

null

294

null

7

P -1

-P 1

2

- C23 H28 Cu F6 N4 O8 S2 -

- C46 H56 Cu2 F12 N8 O16 S4 -

2

1

SK1069

Alilou, El Houssine; El Hallaoui, Abdelilah; El Ghadraoui, El Houssine; Giorgi, Michel; Pierrot, Marcel; Réglier, Marius

Two TEPA–Copper(II) Complexes {TEPA is Tris[2-(2-pyridyl)ethyl]amine}

Acta Crystallographica Section C

1,997

53

5

559

562

10.1107/S0108270196015223

0.71073

MoKα

0.137

0.05

null

0.05

null

1.319

null

has coordinates

Alilou, El Houssine; El Hallaoui, Abdelilah; El Ghadraoui, El Houssine; Giorgi, Michel; Pierrot, Marcel; Réglier, Marius Two TEPA–Copper(II) Complexes {TEPA is Tris[2-(2-pyridyl)ethyl]amine} Acta Crystallographica Section C 53(5) (1997) 559-562

301,791

2025-08-18

23:15:28

#------------------------------------------------------------------------------ #$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/2/00/61/2006156.cif $ #-------------------------------------------------------------------...

2,006,157

18.168

0.002

7.867

0.002

21.908

0.003

90

null

125.58

0.04

90

null

2,546.7

1.5

294

null

294

null

7

P 1 21/c 1

-P 2ybc

14

- C23 H27 Cu F6 N4 O2 P -

- C92 H108 Cu4 F24 N16 O8 P4 -

4

1

SK1069

Alilou, El Houssine; El Hallaoui, Abdelilah; El Ghadraoui, El Houssine; Giorgi, Michel; Pierrot, Marcel; Réglier, Marius

Two TEPA–Copper(II) Complexes {TEPA is Tris[2-(2-pyridyl)ethyl]amine}

Acta Crystallographica Section C

1,997

53

5

559

562

10.1107/S0108270196015223

0.71073

MoKα

0.081

0.075

null

0.098

null

3.208

null

has coordinates

Alilou, El Houssine; El Hallaoui, Abdelilah; El Ghadraoui, El Houssine; Giorgi, Michel; Pierrot, Marcel; Réglier, Marius Two TEPA–Copper(II) Complexes {TEPA is Tris[2-(2-pyridyl)ethyl]amine} Acta Crystallographica Section C 53(5) (1997) 559-562

301,791

2025-08-18

23:15:28

#------------------------------------------------------------------------------ #$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/2/00/61/2006157.cif $ #-------------------------------------------------------------------...

4,322,083

11.462

0.002

15.972

0.002

19.835

0.009

90

null

94.5

0.03

90

null

3,620

1.8

298

2

298

2

null

7

P 1 21/c 1

-P 2ybc

14

complex 3

[(N-(2-(1-naphthyl)ethyl)-1-aza-4,8- dithiacyclodecane)copper(I)(triphenylphosphine)]hexafluorophosphate

- C37 H40 Cu F6 N P2 S2 -

- C148 H160 Cu4 F24 N4 P8 S8 -

4

1

Rebecca R. Conry; William S. Striejewske; A. Alex Tipton

Copper(I) Complexes with a NS2-Macrocyclic Ligand Bearing a Pendant Naphthyl Group: Structures of {N-[2-(1-Naphthyl)ethyl]-1-aza-4,8-dithiacyclodecane}copper(I)-Ligand, where Ligand = η2-Naphthalene, Acetonitrile, or Triphenylphosphine

Inorganic Chemistry

1,999

38

2833

2843

10.1021/ic981418p

0.71073

MoKα

0.2426

0.0906

null

0.1889

0.133

null

1.027

1.256

null

has coordinates

Rebecca R. Conry; William S. Striejewske; A. Alex Tipton Copper(I) Complexes with a NS2-Macrocyclic Ligand Bearing a Pendant Naphthyl Group: Structures of {N-[2-(1-Naphthyl)ethyl]-1-aza-4,8-dithiacyclodecane}copper(I)-Ligand, where Ligand = η2-Naphthalene, Acetonitrile, or Triphenylphosphine Inorganic Chemistry 38 (199...

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/4/32/20/4322083.cif $ #-------------------------------------------------------------------...

2,006,158

14.814

0.003

9.623

0.002

7.309

0.002

90

null

90

null

90

null

1,041.9

0.4

290

null

290

null

5

P n a m

-P 2c 2n

62

nitro-pentaammine-Co(III)-chloride-nitrate

- Cl Co H15 N7 O5 -

- Cl4 Co4 H60 N28 O20 -

4

0.5

SK1070

Boldyreva, Elena V.; Kivikoski, Jussi; Howard, J. A. K.

Pentaamminenitrocobalt(III) Chloride Nitrate at 290K and 150K

Acta Crystallographica Section C

1,997

53

5

526

528

10.1107/S0108270196014217

0.71073

MoKα

0.0407

0.024

null

0.0674

0.0623

null

0.993

1.051

null

has coordinates

Boldyreva, Elena V.; Kivikoski, Jussi; Howard, J. A. K. Pentaamminenitrocobalt(III) Chloride Nitrate at 290K and 150K Acta Crystallographica Section C 53(5) (1997) 526-528

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/2/00/61/2006158.cif $ #-------------------------------------------------------------------...

2,006,159

14.726

0.005

9.646

0.007

7.219

0.003

90

null

90

null

90

null

1,025.4

0.9

150

null

150

null

5

P n a m

-P 2c 2n

62

nitro-pentaammine-Co(III)-chloride-nitrate

- Cl Co H15 N7 O5 -

- Cl4 Co4 H60 N28 O20 -

4

0.5

SK1070

Boldyreva, Elena V.; Kivikoski, Jussi; Howard, J. A. K.

Pentaamminenitrocobalt(III) Chloride Nitrate at 290K and 150K

Acta Crystallographica Section C

1,997

53

5

526

528

10.1107/S0108270196014217

0.71073

MoKα

0.0374

0.0233

null

0.0619

0.057

null

1.042

1.089

null

has coordinates

Boldyreva, Elena V.; Kivikoski, Jussi; Howard, J. A. K. Pentaamminenitrocobalt(III) Chloride Nitrate at 290K and 150K Acta Crystallographica Section C 53(5) (1997) 526-528

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/2/00/61/2006159.cif $ #-------------------------------------------------------------------...

2,006,160

9.7232

0.0011

9.2506

0.0013

10.6178

0.0013

90

null

90

null

90

null

955

0.2

130

1

130

1

null

5

P n a 21

P 2c -2n

33

N-butylthiophen-3-carboxamide

- C9 H13 N O S -

- C36 H52 N4 O4 S4 -

4

1

SK1076

Gable, Robert W.; Laws, Melissa J.; Schiesser, Carl H.

N-Butylthiophene-3-carboxamide and 2-Benzylseleno-N-butylthiophene-3-carboxamide at 130K

Acta Crystallographica Section C

1,997

53

5

641

644

10.1107/S0108270196015788

1.5418

CuKα(nickelfiltered)

0.0363

0.036

null

0.1045

0.1042

null

1.072

1.077

null

has coordinates

Gable, Robert W.; Laws, Melissa J.; Schiesser, Carl H. N-Butylthiophene-3-carboxamide and 2-Benzylseleno-N-butylthiophene-3-carboxamide at 130K Acta Crystallographica Section C 53(5) (1997) 641-644

301,791

2025-08-18

23:15:28

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2,006,161

8.4701

0.0009

21.624

0.002

9.34

0.0009

90

null

114.497

0.008

90

null

1,556.7

0.3

130

1

130

1

null

6

P 1 21/n 1

-P 2yn

14

2-benzylseleno-N-butylthiophen-3-carboxamide

- C16 H19 N O S Se -

- C64 H76 N4 O4 S4 Se4 -

4

1

SK1076

Gable, Robert W.; Laws, Melissa J.; Schiesser, Carl H.

N-Butylthiophene-3-carboxamide and 2-Benzylseleno-N-butylthiophene-3-carboxamide at 130K

Acta Crystallographica Section C

1,997

53

5

641

644

10.1107/S0108270196015788

1.5418

CuKα(nickelfiltered)

0.0303

0.0293

null

0.0777

0.0771

null

1.169

1.176

null

has coordinates

Gable, Robert W.; Laws, Melissa J.; Schiesser, Carl H. N-Butylthiophene-3-carboxamide and 2-Benzylseleno-N-butylthiophene-3-carboxamide at 130K Acta Crystallographica Section C 53(5) (1997) 641-644

301,791

2025-08-18

23:15:28

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2,006,162

8.467

0.002

11.154

0.002

9.654

0.002

90

null

92.24

0.02

90

null

911

0.3

295

null

295

null

3

P 1 21 1

P 2yb

4

1α,5α-Dihydroxymanoyl oxide

- C20 H34 O3 -

- C40 H68 O6 -

2

1

SX1001

Manríquez, V.; Labbé, C.; Castillo, M.; Wittke, O.

1α,5α-Dihydroxymanoyl Oxide, a Novel Diterpene from Satureja gilliesii

Acta Crystallographica Section C

1,997

53

5

624

626

10.1107/S0108270197000048

0.71073

MoKα

0.0487

0.038

null

0.0441

0.0423

null

1.24

null

has coordinates

Manríquez, V.; Labbé, C.; Castillo, M.; Wittke, O. 1α,5α-Dihydroxymanoyl Oxide, a Novel Diterpene from Satureja gilliesii Acta Crystallographica Section C 53(5) (1997) 624-626

301,791

2025-08-18

23:15:28

#------------------------------------------------------------------------------ #$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/2/00/61/2006162.cif $ #-------------------------------------------------------------------...

2,006,163

10.356

0.002

15.35

0.003

13.394

0.003

90

null

96.38

0.04

90

null

2,116

0.8

293

null

4

C 1 c 1

C -2yc

9

- C20 H17 N5 O11 -

- C80 H68 N20 O44 -

4

1

TA1106

In, Yasuko; Nagata, Hiroomi; Doi, Mitsunobu; Ishida, Toshimasa; Wakahara, Akio

Anthranilic Acid–Picric Acid (2/1) Complex

Acta Crystallographica Section C

1,997

53

5

646

648

10.1107/S0108270196011262

1.5418

CuKα

null

0.059

null

0.067

null

1.7187

null

has coordinates

In, Yasuko; Nagata, Hiroomi; Doi, Mitsunobu; Ishida, Toshimasa; Wakahara, Akio Anthranilic Acid–Picric Acid (2/1) Complex Acta Crystallographica Section C 53(5) (1997) 646-648

301,791

2025-08-18

23:15:28

#------------------------------------------------------------------------------ #$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/2/00/61/2006163.cif $ #-------------------------------------------------------------------...

2,006,164

7.405

0.002

18.481

0.002

8.1246

0.0009

90

null

111.14

0.01

90

null

1,037

0.3

300

2

300

2

null

5

P 1 21/c 1

-P 2ybc

14

N-(n-butyl)-3,4-dibromomaleimide

- C8 H9 Br2 N O2 -

- C32 H36 Br8 N4 O8 -

4

1

TA1129

Chen, Wei; Yang, Jia-xiang; Bai, Zhi-ping; Wang Zou-xiang; You Xiao-zeng

N-(n-Butyl)-3,4-dibromomaleimide

Acta Crystallographica Section C

1,997

53

5

631

633

10.1107/S0108270197000024

0.71073

MoKα

0.0713

0.0456

null

0.1095

0.0983

null

1.092

1.15

null

has coordinates

Chen, Wei; Yang, Jia-xiang; Bai, Zhi-ping; Wang Zou-xiang; You Xiao-zeng N-(n-Butyl)-3,4-dibromomaleimide Acta Crystallographica Section C 53(5) (1997) 631-633

301,791

2025-08-18

23:15:28

#------------------------------------------------------------------------------ #$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/2/00/61/2006164.cif $ #-------------------------------------------------------------------...

4,322,082

10.8308

0.0009

12.632

0.0008

19.9412

0.0013

80.445

0.005

76.405

0.006

78.825

0.005

2,580.7

0.3

299

2

299

2

null

7

P -1

-P 1

2

cocrystallized 1&2

- C46 H61 Cu2 F12 N3 P2 S4 -

- C92 H122 Cu4 F24 N6 P4 S8 -

2

1

Rebecca R. Conry; William S. Striejewske; A. Alex Tipton

Copper(I) Complexes with a NS2-Macrocyclic Ligand Bearing a Pendant Naphthyl Group: Structures of {N-[2-(1-Naphthyl)ethyl]-1-aza-4,8-dithiacyclodecane}copper(I)-Ligand, where Ligand = η2-Naphthalene, Acetonitrile, or Triphenylphosphine

Inorganic Chemistry

1,999

38

2833

2843

10.1021/ic981418p

0.71073

MoKα

0.1317

0.0661

null

0.1871

0.1476

null

1.013

1.1

null

has coordinates

Rebecca R. Conry; William S. Striejewske; A. Alex Tipton Copper(I) Complexes with a NS2-Macrocyclic Ligand Bearing a Pendant Naphthyl Group: Structures of {N-[2-(1-Naphthyl)ethyl]-1-aza-4,8-dithiacyclodecane}copper(I)-Ligand, where Ligand = η2-Naphthalene, Acetonitrile, or Triphenylphosphine Inorganic Chemistry 38 (199...

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/4/32/20/4322082.cif $ #-------------------------------------------------------------------...

2,006,165

11.857

0.006

3.66

0.002

10.909

0.006

90

null

100.43

0.04

90

null

465.6

0.4

293

null

293

null

3

C 1 2/m 1

-C 2y

null

- Li2 O13 V6 -

- Li4 O26 V12 -

2

0.25

TA1132

Bergström, Örjan; Gustafsson, Torbjörn; Thomas, John O.

Electrochemically Lithiated Vanadium Oxide, Li~2~V~6~O~13~

Acta Crystallographica Section C

1,997

53

5

528

530

10.1107/S0108270196015235

0.7107

MolybdenumKα

0.04

null

0.055

null

2.69

null

has coordinates

Bergström, Örjan; Gustafsson, Torbjörn; Thomas, John O. Electrochemically Lithiated Vanadium Oxide, Li~2~V~6~O~13~ Acta Crystallographica Section C 53(5) (1997) 528-530

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/2/00/61/2006165.cif $ #-------------------------------------------------------------------...

2,006,166

12.333

0.002

7.146

0.001

10.885

0.001

90

null

111.57

0.01

90

null

892.1

0.2

293

null

3

C 1 2/c 1

-C 2yc

15

- O3 Si Sr -

- O36 Si12 Sr12 -

12

1.5

TA1133

Nishi, Fumito

Strontium Metasilicate, SrSiO~3~

Acta Crystallographica Section C

1,997

53

5

534

536

10.1107/S0108270196015338

0.71073

MoKα

null

0.056

null

0.067

null

1.34

null

has coordinates

Nishi, Fumito Strontium Metasilicate, SrSiO~3~ Acta Crystallographica Section C 53(5) (1997) 534-536

301,791

2025-08-18

23:15:28

#------------------------------------------------------------------------------ #$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/2/00/61/2006166.cif $ #-------------------------------------------------------------------...

2,006,167

9.844

0.007

3.901

0.003

17.245

0.015

90

null

93.17

0.06

90

null

661.2

0.9

293

2

293

2

null

5

P 1 21 1

P 2yb

4

MTNPH

5-methylthiophenecarboxaldehyde-4-nitrophenylhydrazone monohydrate

- C12 H13 N3 O3 S -

- C24 H26 N6 O6 S2 -

2

1

AB1423

Wong, Man Shing; Gramlich, Volker; Pan, Feng; Bosshard, Christian; Günter, Peter

5-Methylthiophene-2-carboxaldehyde 4-Nitrophenylhydrazone–Water (1/1)

Acta Crystallographica Section C

1,997

53

6

757

759

10.1107/S0108270197002552

0.71073

MoKα

0.0943

0.0385

null

0.0815

0.0748

null

0.674

0.996

null

has coordinates

Wong, Man Shing; Gramlich, Volker; Pan, Feng; Bosshard, Christian; Günter, Peter 5-Methylthiophene-2-carboxaldehyde 4-Nitrophenylhydrazone–Water (1/1) Acta Crystallographica Section C 53(6) (1997) 757-759

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2,006,168

12.231

0.002

13.643

0.003

7.733

0.003

90

null

90

null

90

null

1,290.4

0.6

295

null

295

null

4

P 21 21 21

P 2ac 2ab

19

- C12 H14 N2 O4 -

- C48 H56 N8 O16 -

4

1

AB1426

Kennedy, Alan R.; Khalaf, Abedawn I.

N,N-Diacetyl-2,5-dimethyl-6-nitroaniline

Acta Crystallographica Section C

1,997

53

6

744

746

10.1107/S0108270197002564

0.71069

MoKα

0.1372

0.0682

null

0.0537

0.0456

null

1.2

null

has coordinates

Kennedy, Alan R.; Khalaf, Abedawn I. N,N-Diacetyl-2,5-dimethyl-6-nitroaniline Acta Crystallographica Section C 53(6) (1997) 744-746

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2,006,169

7.473

0.0011

8.286

0.0011

17.527

0.002

90

null

90

null

90

null

1,085.3

0.2

294

1

294

1

null

5

P 21 21 21

P 2ac 2ab

19

3-Benzo[b]thien-2-yl-5,6-dihydro-1,4,2-oxathiazine, 4-oxide

- C11 H9 N O2 S2 -

- C44 H36 N4 O8 S8 -

4

1

AB1427

Gallagher, John F.; Ferguson, George; Brouwer, Walter G.

3-(Benzo[b]thien-2-yl)-5,6-dihydro-1,4,2-oxathiazine 4-Oxide

Acta Crystallographica Section C

1,997

53

6

823

825

10.1107/S0108270196014539

0.7107

MolybdenumKα

0.0307

0.0257

null

0.0732

0.0714

null

1.06

1.086

null

has coordinates

Gallagher, John F.; Ferguson, George; Brouwer, Walter G. 3-(Benzo[b]thien-2-yl)-5,6-dihydro-1,4,2-oxathiazine 4-Oxide Acta Crystallographica Section C 53(6) (1997) 823-825

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2,006,170

11.065

0.001

5.614

0.002

24.225

0.002

90

null

90.728

0.006

90

null

1,504.7

0.6

293

2

293

2

null

4

P 1 21/n 1

-P 2yn

14

N-(4-chlorobenzyl)-2-(1H-imidazol-1-ylmethyl)aniline

- C17 H16 Cl N3 -

- C68 H64 Cl4 N12 -

4

1

AB1428

Ettorre, Alessandro; Biava, Mariangela; Fioravanti, Rossella; Porretta, Giulio Cesare

The Antifungal Agent 1-[2-(4-Chlorobenzylamino)benzyl]-1H-imidazole

Acta Crystallographica Section C

1,997

53

6

761

762

10.1107/S0108270197000784

1.54178

CuKα

null

0.0441

null

0.1531

null

0.657

null

has coordinates

Ettorre, Alessandro; Biava, Mariangela; Fioravanti, Rossella; Porretta, Giulio Cesare The Antifungal Agent 1-[2-(4-Chlorobenzylamino)benzyl]-1H-imidazole Acta Crystallographica Section C 53(6) (1997) 761-762

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2,006,171

8.111

0.002

6.146

0.001

10.242

0.001

90

null

103.19

0.01

90

null

497.1

0.16

293

null

293.2

null

3

P 1 21/c 1

-P 2ybc

14

meso-3,3'-bi(1,2,4-trithiacyclohex-5-enyl)

- C6 H6 S6 -

- C12 H12 S12 -

2

0.5

AB1429

Shimizu, Toshio; Iwata, Kazuko; Kondo, Mitsuru; Kitagawa, Susumu; Kamigata, Nobumasa

meso-3,3'-Bi(1,2,4-trithiacyclohex-5-enyl)

Acta Crystallographica Section C

1,997

53

6

748

749

10.1107/S0108270197002230

0.7107

MoKα

null

0.0286

null

0.0345

null

3.901

null

has coordinates

Shimizu, Toshio; Iwata, Kazuko; Kondo, Mitsuru; Kitagawa, Susumu; Kamigata, Nobumasa meso-3,3'-Bi(1,2,4-trithiacyclohex-5-enyl) Acta Crystallographica Section C 53(6) (1997) 748-749

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