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

2,001,319

5.856

0.005

21.758

0.004

14.495

0.004

90

null

98.16

0.05

90

null

1,828.2

1.7

293

null

293

null

4

P 1 21/n 1

-P 2yn

14

cis-14-phenylsulfonyl-1,7,9-trioxadispiro[5.1.5.3]hexadecane

- C19 H26 O5 S -

- C21 H30 O5 S -

- C84 H120 O20 S4 -

4

1

LI1033

Baker, E. N.; Brimble, M. A.; Norris, G. E.; Quail, J. W.; Rush, C. A.

Structure of a bis-spiroacetal, cis-14-phenylsulfonyl-1,7,9-trioxadispiro[5.1.5.3]hexadecane

Acta Crystallographica Section C

1,993

49

10

1857

1859

10.1107/S0108270193004135

0.7093

MoKα

0.085

0.051

null

0.07

0.061

null

1.35

null

has coordinates

Baker, E. N.; Brimble, M. A.; Norris, G. E.; Quail, J. W.; Rush, C. A. Structure of a bis-spiroacetal, cis-14-phenylsulfonyl-1,7,9-trioxadispiro[5.1.5.3]hexadecane Acta Crystallographica Section C 49(10) (1993) 1857-1859

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/2/00/13/2001319.cif $ #-------------------------------------------------------------------...

7,205,657

11.918

0.003

21.169

0.005

13.55

0.003

90

null

110.775

0.002

90

null

3,196.3

1.3

100

2

100

2

null

4

C 1 c 1

C -2yc

9

- C36 H25 N5 O13 -

- C144 H100 N20 O52 -

4

1

Kleyn, Anneli; Jacobs, Tia; Barbour, Leonard J.

Solid-state structural studies of oxacalix[2]arene[2]naphthalene as a molecular tweezer

CrystEngComm

2,011

13

9

3175

10.1039/c0ce00536c

0.71073

MoKα

0.0537

0.0526

null

0.1573

0.1582

null

1.099

null

has coordinates,has disorder

Kleyn, Anneli; Jacobs, Tia; Barbour, Leonard J. Solid-state structural studies of oxacalix[2]arene[2]naphthalene as a molecular tweezer CrystEngComm 13(9) (2011) 3175

301,863

2025-08-22

13:07:26

#------------------------------------------------------------------------------ #$Date: 2025-08-22 15:50:14 +0300 (Fri, 22 Aug 2025) $ #$Revision: 301863 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/56/7205657.cif $ #-------------------------------------------------------------------...

2,001,320

13.25

0.001

10.054

0.001

19.496

0.001

90

null

90

null

90

null

2,597.2

0.4

298

2

null

3

P b c a

-P 2ac 2ab

null

- C15 H22 O2 -

- C120 H176 O16 -

8

1

OH1027

Kawata, T.; Ohba, S.; Umehara, M.; Honnami, H.

Three isomers of tricyclo[10.3.0.0^4,9^]pentadecane-2,10-dione, (I), (II) and (III), and cis-cisoid-cis-9-hydroxy-9-methyltricyclo[9.3.0.0^3,7^]tetradecan-2-one, (IV)

Acta Crystallographica Section C

1,993

49

10

1854

1857

10.1107/S0108270193003750

0.71073

MoKα

null

0.046

null

0.043

null

3.85

null

has coordinates

Kawata, T.; Ohba, S.; Umehara, M.; Honnami, H. Three isomers of tricyclo[10.3.0.0^4,9^]pentadecane-2,10-dione, (I), (II) and (III), and cis-cisoid-cis-9-hydroxy-9-methyltricyclo[9.3.0.0^3,7^]tetradecan-2-one, (IV) Acta Crystallographica Section C 49(10) (1993) 1854-1857

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$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/2/00/13/2001320.cif $ #-------------------------------------------------------------------...

2,001,321

10.326

0.003

6.706

0.002

9.761

0.005

90

null

101.05

0.04

90

null

663.4

0.4

299

2

null

3

P 1 c 1

P -2yc

null

- C15 H22 O2 -

- C30 H44 O4 -

2

1

OH1027

Kawata, T.; Ohba, S.; Umehara, M.; Honnami, H.

Three isomers of tricyclo[10.3.0.0^4,9^]pentadecane-2,10-dione, (I), (II) and (III), and cis-cisoid-cis-9-hydroxy-9-methyltricyclo[9.3.0.0^3,7^]tetradecan-2-one, (IV)

Acta Crystallographica Section C

1,993

49

10

1854

1857

10.1107/S0108270193003750

0.71073

MoKα

null

0.045

null

0.049

null

2.15

null

has coordinates

Kawata, T.; Ohba, S.; Umehara, M.; Honnami, H. Three isomers of tricyclo[10.3.0.0^4,9^]pentadecane-2,10-dione, (I), (II) and (III), and cis-cisoid-cis-9-hydroxy-9-methyltricyclo[9.3.0.0^3,7^]tetradecan-2-one, (IV) Acta Crystallographica Section C 49(10) (1993) 1854-1857

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$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/2/00/13/2001321.cif $ #-------------------------------------------------------------------...

7,205,656

11.982

0.003

21.272

0.006

12.948

0.003

90

null

110.586

0.003

90

null

3,089.5

1.4

100

2

100

2

null

4

C 1 c 1

C -2yc

9

DMF

- C35 H23 N5 O13 -

- C140 H92 N20 O52 -

4

1

Kleyn, Anneli; Jacobs, Tia; Barbour, Leonard J.

Solid-state structural studies of oxacalix[2]arene[2]naphthalene as a molecular tweezer

CrystEngComm

2,011

13

9

3175

10.1039/c0ce00536c

0.71073

MoKα

0.0456

0.0392

null

0.105

0.1094

null

1.051

null

has coordinates,has disorder

Kleyn, Anneli; Jacobs, Tia; Barbour, Leonard J. Solid-state structural studies of oxacalix[2]arene[2]naphthalene as a molecular tweezer CrystEngComm 13(9) (2011) 3175

301,863

2025-08-22

13:07:26

#------------------------------------------------------------------------------ #$Date: 2025-08-22 15:50:14 +0300 (Fri, 22 Aug 2025) $ #$Revision: 301863 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/56/7205656.cif $ #-------------------------------------------------------------------...

2,001,322

18.73

0.003

9.63

0.002

7.218

0.001

90

null

94.92

0.02

90

null

1,297.1

0.4

297

2

null

3

P 1 21/n 1

-P 2yn

14

- C15 H22 O2 -

- C60 H88 O8 -

4

1

OH1027

Kawata, T.; Ohba, S.; Umehara, M.; Honnami, H.

Three isomers of tricyclo[10.3.0.0^4,9^]pentadecane-2,10-dione, (I), (II) and (III), and cis-cisoid-cis-9-hydroxy-9-methyltricyclo[9.3.0.0^3,7^]tetradecan-2-one, (IV)

Acta Crystallographica Section C

1,993

49

10

1854

1857

10.1107/S0108270193003750

0.71073

MoKα

null

0.048

null

0.035

null

3.15

null

has coordinates

Kawata, T.; Ohba, S.; Umehara, M.; Honnami, H. Three isomers of tricyclo[10.3.0.0^4,9^]pentadecane-2,10-dione, (I), (II) and (III), and cis-cisoid-cis-9-hydroxy-9-methyltricyclo[9.3.0.0^3,7^]tetradecan-2-one, (IV) Acta Crystallographica Section C 49(10) (1993) 1854-1857

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$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/2/00/13/2001322.cif $ #-------------------------------------------------------------------...

2,001,323

14.276

0.001

10.984

0.002

17.117

0.003

90

null

90

null

90

null

2,684.1

0.7

299

2

null

3

P b c n

-P 2n 2ab

null

- C15 H24 O2 -

- C120 H192 O16 -

8

1

OH1027

Kawata, T.; Ohba, S.; Umehara, M.; Honnami, H.

Three isomers of tricyclo[10.3.0.0^4,9^]pentadecane-2,10-dione, (I), (II) and (III), and cis-cisoid-cis-9-hydroxy-9-methyltricyclo[9.3.0.0^3,7^]tetradecan-2-one, (IV)

Acta Crystallographica Section C

1,993

49

10

1854

1857

10.1107/S0108270193003750

0.71073

MoKα

null

0.054

null

0.033

null

2.33

null

has coordinates

Kawata, T.; Ohba, S.; Umehara, M.; Honnami, H. Three isomers of tricyclo[10.3.0.0^4,9^]pentadecane-2,10-dione, (I), (II) and (III), and cis-cisoid-cis-9-hydroxy-9-methyltricyclo[9.3.0.0^3,7^]tetradecan-2-one, (IV) Acta Crystallographica Section C 49(10) (1993) 1854-1857

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$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/2/00/13/2001323.cif $ #-------------------------------------------------------------------...

7,205,655

10.8413

0.0004

10.7317

0.0003

12.404

0.0004

90

null

112.033

0.004

90

null

1,337.75

0.08

100

2

100

2

null

4

P 1 21 1

P 2yb

4

- C32 H16 N4 O12 -

- C64 H32 N8 O24 -

2

1

Kleyn, Anneli; Jacobs, Tia; Barbour, Leonard J.

Solid-state structural studies of oxacalix[2]arene[2]naphthalene as a molecular tweezer

CrystEngComm

2,011

13

9

3175

10.1039/c0ce00536c

1.54184

CuKα

0.0622

0.0388

null

0.0924

0.104

null

0.833

null

has coordinates

Kleyn, Anneli; Jacobs, Tia; Barbour, Leonard J. Solid-state structural studies of oxacalix[2]arene[2]naphthalene as a molecular tweezer CrystEngComm 13(9) (2011) 3175

301,863

2025-08-22

13:07:26

#------------------------------------------------------------------------------ #$Date: 2025-08-22 15:50:14 +0300 (Fri, 22 Aug 2025) $ #$Revision: 301863 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/56/7205655.cif $ #-------------------------------------------------------------------...

2,001,324

13.155

0.009

33.433

0.005

14.634

0.005

90

null

90

null

90

null

6,436

5

298

null

5

P b c a

-P 2ac 2ab

null

- C29 H38 I O9 P -

- C29 H36 I O9 P -

- C232 H288 I8 O72 P8 -

8

1

HA1047

Chaloner, P. A.; Harrison, R. M.; Hitchcock, P. B.

Structure of methyltris(2,4,6-trimethoxyphenyl)phosphonium iodide ethanol solvate

Acta Crystallographica Section C

1,993

49

10

1852

1854

10.1107/S0108270193004317

0.71069

MoKα

null

0.059

null

0.081

null

2.3

null

has coordinates

Chaloner, P. A.; Harrison, R. M.; Hitchcock, P. B. Structure of methyltris(2,4,6-trimethoxyphenyl)phosphonium iodide ethanol solvate Acta Crystallographica Section C 49(10) (1993) 1852-1854

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/2/00/13/2001324.cif $ #-------------------------------------------------------------------...

2,001,325

8.078

0.002

19.274

0.005

12.686

0.003

90

null

102.85

0.02

90

null

1,925.7

0.8

153

2

153

2

null

4

P 1 21/n 1

-P 2yn

14

endo 3-Acetoxy-2,4-diethoxy-6-(carbonyloxazolidin-2'-on)-3,4-dihydropyrane

- C16 H23.5 N O3.5 -

- C17 H26 N O8.5 -

- C68 H104 N4 O34 -

4

1

NA1040

Pohl, E.; Herbst-Irmer, R.; Noltemeyer, M.; Schneider, C.; Tietze, L. F.

Structures of endo- and exo-3-acetoxy-2,4-diethoxy-6-(2-oxo-1,3-oxazolidin-3-ylcarbonyl)-3,4-dihydro-2H-pyran

Acta Crystallographica Section C

1,993

49

10

1850

1852

10.1107/S0108270193004202

0.71073

MoKα

0.0595

0.0482

null

0.1326

0.1195

null

1.062

1.06

null

has coordinates,has disorder

Pohl, E.; Herbst-Irmer, R.; Noltemeyer, M.; Schneider, C.; Tietze, L. F. Structures of endo- and exo-3-acetoxy-2,4-diethoxy-6-(2-oxo-1,3-oxazolidin-3-ylcarbonyl)-3,4-dihydro-2H-pyran Acta Crystallographica Section C 49(10) (1993) 1850-1852

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/2/00/13/2001325.cif $ #-------------------------------------------------------------------...

2,001,326

9.016

0.002

9.038

0.002

10.85

0.002

104.6

0.02

91.6

0.02

91.48

0.02

854.8

0.3

293

2

293

2

null

4

P -1

-P 1

2

exo 3-Acetoxy-2,4-diethoxy-6-(carbonyloxazolidin-2'-on)-3,4-dihydropyrane

- C15 H21 N O8 -

- C30 H42 N2 O16 -

2

1

NA1040

Pohl, E.; Herbst-Irmer, R.; Noltemeyer, M.; Schneider, C.; Tietze, L. F.

Structures of endo- and exo-3-acetoxy-2,4-diethoxy-6-(2-oxo-1,3-oxazolidin-3-ylcarbonyl)-3,4-dihydro-2H-pyran

Acta Crystallographica Section C

1,993

49

10

1850

1852

10.1107/S0108270193004202

0.71073

MoKα

0.0471

0.0401

null

0.1124

0.101

null

1.058

1.039

null

has coordinates

Pohl, E.; Herbst-Irmer, R.; Noltemeyer, M.; Schneider, C.; Tietze, L. F. Structures of endo- and exo-3-acetoxy-2,4-diethoxy-6-(2-oxo-1,3-oxazolidin-3-ylcarbonyl)-3,4-dihydro-2H-pyran Acta Crystallographica Section C 49(10) (1993) 1850-1852

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$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/2/00/13/2001326.cif $ #-------------------------------------------------------------------...

2,001,327

8.276

0.001

8.819

0.001

12.045

0.002

110.19

0.01

92.61

0.01

106.84

0.01

779.3

0.2

293

null

4

P -1

-P 1

2

- C15 H21 N2 P -

- C30 H42 N4 P2 -

2

1

ST1047

Abboud, K. A.; Villanueva, L. A.; Boncella, J. M.

Structure of a phosphazene–aniline compound

Acta Crystallographica Section C

1,993

49

10

1848

1850

10.1107/S0108270193002343

0.71073

MoKα

null

0.0546

null

0.0658

null

2.13

null

has coordinates

Abboud, K. A.; Villanueva, L. A.; Boncella, J. M. Structure of a phosphazene–aniline compound Acta Crystallographica Section C 49(10) (1993) 1848-1850

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$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/2/00/13/2001327.cif $ #-------------------------------------------------------------------...

7,205,654

17.0609

0.001

8.1048

0.001

9.1311

0.001

90

null

101.23

0.01

90

null

1,238.4

0.2

294

null

294

null

4

P 1 21/c 1

-P 2ybc

14

- C8 H16 Mg O7 -

- C32 H64 Mg4 O28 -

4

1

Hickey, Magali B.; Schlam, Roxana F.; Guo, Chengyun; Cho, Tae H.; Snider, Barry B.; Foxman, Bruce M.

Stereospecific solid-state cyclodimerization of bis(trans-2-butenoato)calcium and triaquabis(trans-2-butenoato)magnesium

CrystEngComm

2,011

13

9

3146

10.1039/c0ce00535e

0.71073

MoKα

0.1648

0.0478

null

0.0855

0.0351

null

1.1799

null

has coordinates

Hickey, Magali B.; Schlam, Roxana F.; Guo, Chengyun; Cho, Tae H.; Snider, Barry B.; Foxman, Bruce M. Stereospecific solid-state cyclodimerization of bis(trans-2-butenoato)calcium and triaquabis(trans-2-butenoato)magnesium CrystEngComm 13(9) (2011) 3146

288,252

2023-12-12

14:26:25

#------------------------------------------------------------------------------ #$Date: 2023-12-12 16:25:29 +0200 (Tue, 12 Dec 2023) $ #$Revision: 288252 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/56/7205654.cif $ #-------------------------------------------------------------------...

2,001,328

6.616

0.001

8.661

0.001

11.693

0.001

77.79

0.01

87.14

0.01

69.02

0.01

611.21

0.14

293

null

4

P -1

-P 1

2

- C20 H32 O2 Si4 -

1

0.5

ST1046

Abboud, K. A.; Smith, Jnr, D. W.; Wagener, K. B.

Structure of cyclo-1,1',4,4'-bis(1,1,3,3-tetramethyl-1,3-disiloxanediyl)dibenzene

Acta Crystallographica Section C

1,993

49

10

1845

1848

10.1107/S0108270193002331

0.71073

MoKα

null

0.0516

null

0.0655

null

2.25

null

has coordinates

Abboud, K. A.; Smith, Jnr, D. W.; Wagener, K. B. Structure of cyclo-1,1',4,4'-bis(1,1,3,3-tetramethyl-1,3-disiloxanediyl)dibenzene Acta Crystallographica Section C 49(10) (1993) 1845-1848

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$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/2/00/13/2001328.cif $ #-------------------------------------------------------------------...

2,001,329

6.644

0.002

14.531

0.003

9.413

0.001

90

null

103.57

0.02

90

null

883.4

0.3

296

null

4

P 1 21/a 1

-P 2yab

null

- C8 H9 Cl N4 -

- C32 H36 Cl4 N16 -

4

1

OH1021

Okabe, N.; Fukuda, H.; Nakamura, T.

Structure of hydralazine hydrochloride

Acta Crystallographica Section C

1,993

49

10

1844

1845

10.1107/S0108270193003762

0.71069

MoKα

null

0.047

null

0.056

null

1.61

null

has coordinates

Okabe, N.; Fukuda, H.; Nakamura, T. Structure of hydralazine hydrochloride Acta Crystallographica Section C 49(10) (1993) 1844-1845

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$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/2/00/13/2001329.cif $ #-------------------------------------------------------------------...

2,001,330

7.131

0.001

10.852

0.004

29.553

0.008

90

null

91.85

0.02

90

null

2,285.8

1.1

290

null

4

P 1 21/c 1

-P 2ybc

null

- C25 H16 N4 O9 -

- C25 H19 N4 O9 -

- C100 H76 N16 O36 -

4

1

CD1015

Baldwin, S. L.; Baughman, R. G.

Structure of the charge-transfer complexes 2,4,5,7-tetranitro-9-fluorenone‒1-ethylnaphthalene (1/1) (I) and 2,4,5,7-tetranitro-9-fluorenone‒3,6-dimethylphenanthrene (1/1) (II)

Acta Crystallographica Section C

1,993

49

10

1840

1844

10.1107/S0108270193002446

1.54184

CuKα

null

0.063

null

0.046

null

3.77

null

has coordinates

Baldwin, S. L.; Baughman, R. G. Structure of the charge-transfer complexes 2,4,5,7-tetranitro-9-fluorenone‒1-ethylnaphthalene (1/1) (I) and 2,4,5,7-tetranitro-9-fluorenone‒3,6-dimethylphenanthrene (1/1) (II) Acta Crystallographica Section C 49(10) (1993) 1840-1844

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/2/00/13/2001330.cif $ #-------------------------------------------------------------------...

2,001,331

12.84

0.004

15.072

0.004

14.439

0.003

90

null

114.54

0.02

90

null

2,541.9

1.2

290

null

4

P 1 21/n 1

-P 2yn

14

- C29 H18 N4 O9 -

- C29 H24 N4 O9 -

- C116 H96 N16 O36 -

4

1

CD1015

Baldwin, S. L.; Baughman, R. G.

Structure of the charge-transfer complexes 2,4,5,7-tetranitro-9-fluorenone–1-ethylnaphthalene (1/1) (I) and 2,4,5,7-tetranitro-9-fluorenone–3,6-dimethylphenanthrene (1/1) (II)

Acta Crystallographica Section C

1,993

49

10

1840

1844

10.1107/S0108270193002446

1.54184

CuKα

null

0.05

null

0.031

null

1.9

null

has coordinates

Baldwin, S. L.; Baughman, R. G. Structure of the charge-transfer complexes 2,4,5,7-tetranitro-9-fluorenone–1-ethylnaphthalene (1/1) (I) and 2,4,5,7-tetranitro-9-fluorenone–3,6-dimethylphenanthrene (1/1) (II) Acta Crystallographica Section C 49(10) (1993) 1840-1844

278,324

2022-10-03

14:41:53

#------------------------------------------------------------------------------ #$Date: 2022-10-03 17:40:12 +0300 (Mon, 03 Oct 2022) $ #$Revision: 278324 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/13/2001331.cif $ #-------------------------------------------------------------------...

7,205,653

14.536

0.003

5.2295

0.0005

6.4483

0.0008

90

null

100.415

0.013

90

null

482.1

0.13

294

null

294

null

4

P 1 2/c 1

-P 2yc

13

- C4 H5 Ca0.5 O2 -

- C16 H20 Ca2 O8 -

4

1

Hickey, Magali B.; Schlam, Roxana F.; Guo, Chengyun; Cho, Tae H.; Snider, Barry B.; Foxman, Bruce M.

Stereospecific solid-state cyclodimerization of bis(trans-2-butenoato)calcium and triaquabis(trans-2-butenoato)magnesium

CrystEngComm

2,011

13

9

3146

10.1039/c0ce00535e

0.71073

MoKα

0.0455

0.0333

null

0.0594

0.042

null

1.0087

null

has coordinates,has disorder

Hickey, Magali B.; Schlam, Roxana F.; Guo, Chengyun; Cho, Tae H.; Snider, Barry B.; Foxman, Bruce M. Stereospecific solid-state cyclodimerization of bis(trans-2-butenoato)calcium and triaquabis(trans-2-butenoato)magnesium CrystEngComm 13(9) (2011) 3146

301,863

2025-08-22

13:07:26

#------------------------------------------------------------------------------ #$Date: 2025-08-22 15:50:14 +0300 (Fri, 22 Aug 2025) $ #$Revision: 301863 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/56/7205653.cif $ #-------------------------------------------------------------------...

2,001,332

12.764

0.002

5.768

0.002

20.129

0.005

90

null

96.18

0.02

90

null

1,473.3

0.7

122

null

122

null

4

P 1 21/n 1

-P 2yn

14

(dl)-trans-3-Hydroxy-5-iodomethyl-2,2-diphenyl-tetrahydrofuran

- C17 H17 I O2 -

- C68 H68 I4 O8 -

4

1

AB1063

Frydenvang, K.

Structure determinations of (dl)-trans-3-hydroxy-5-iodomethyl-2,2-diphenyltetrahydrofuran and (dl)-trans-N,N,N-trimethyl-(3-hydroxy-2,2-diphenyltetrahydro-5-furyl)methylammonium iodide

Acta Crystallographica Section C

1,993

49

10

1837

1840

10.1107/S0108270193003944

1.5418

CuKα

null

0.047

null

0.063

null

1.305

null

has coordinates

Frydenvang, K. Structure determinations of (dl)-trans-3-hydroxy-5-iodomethyl-2,2-diphenyltetrahydrofuran and (dl)-trans-N,N,N-trimethyl-(3-hydroxy-2,2-diphenyltetrahydro-5-furyl)methylammonium iodide Acta Crystallographica Section C 49(10) (1993) 1837-1840

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$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/2/00/13/2001332.cif $ #-------------------------------------------------------------------...

2,001,333

10.599

0.002

9.27

0.003

19.641

0.004

90

null

96.17

0.01

90

null

1,918.6

0.8

122

null

122

null

5

P 1 21/c 1

-P 2ybc

14

(dl)-trans-N,N,N-trimethyl-(3-hydroxy-2,2-diphenyl-5-tetrahydrofuryl)- methylammonium iodide

- C20 H26 I N O2 -

- C80 H104 I4 N4 O8 -

4

1

AB1063

Frydenvang, K.

Structure determinations of (dl)-trans-3-hydroxy-5-iodomethyl-2,2-diphenyltetrahydrofuran and (dl)-trans-N,N,N-trimethyl-(3-hydroxy-2,2-diphenyltetrahydro-5-furyl)methylammonium iodide

Acta Crystallographica Section C

1,993

49

10

1837

1840

10.1107/S0108270193003944

0.71073

MoKα

null

0.039

null

0.052

null

2.323

null

has coordinates

Frydenvang, K. Structure determinations of (dl)-trans-3-hydroxy-5-iodomethyl-2,2-diphenyltetrahydrofuran and (dl)-trans-N,N,N-trimethyl-(3-hydroxy-2,2-diphenyltetrahydro-5-furyl)methylammonium iodide Acta Crystallographica Section C 49(10) (1993) 1837-1840

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$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/2/00/13/2001333.cif $ #-------------------------------------------------------------------...

7,205,652

8.897

0.0009

13.7462

0.0013

21.261

0.002

90

null

95.519

0.001

90

null

2,588.2

0.4

100

2

100

2

null

4

P 1 21/c 1

-P 2ybc

14

dimethylammonium pamoate DMF solvate

- C28 H30 N2 O7 -

- C112 H120 N8 O28 -

4

1

Wahl, Helene; Haynes, Delia A.; le Roex, Tanya

Solvate formation in lutidinium pamoate salts: a systematic study

CrystEngComm

2,011

13

7

2227

10.1039/c0ce00528b

0.71073

MoKα

0.0788

0.0468

null

0.1034

0.1222

null

1.03

null

has coordinates

Wahl, Helene; Haynes, Delia A.; le Roex, Tanya Solvate formation in lutidinium pamoate salts: a systematic study CrystEngComm 13(7) (2011) 2227

301,863

2025-08-22

13:07:26

#------------------------------------------------------------------------------ #$Date: 2025-08-22 15:50:14 +0300 (Fri, 22 Aug 2025) $ #$Revision: 301863 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/56/7205652.cif $ #-------------------------------------------------------------------...

2,001,334

12.708

0.001

13.131

0.001

7.444

0.001

90

null

90

null

90

null

1,242.2

0.2

122

null

122

null

5

P 21 21 21

P 2ac 2ab

19

(-)-muscarone iodide

(-)-cis-N,N,N-Trimethyl-(2(S)-methyl-3-oxotetrahydro-5(S)-furyl)methylammonium iodide

- C9 H18 I N O2 -

- C12 H18 I -

- C48 H72 I4 -

4

1

AB1062

Frydenvang, K.; Jensen, B.

Structure of (‒)-muscarone iodide

Acta Crystallographica Section C

1,993

49

10

1834

1837

10.1107/S0108270193003932

0.71073

MoKα

null

0.031

null

0.037

null

1.505

null

has coordinates

Frydenvang, K.; Jensen, B. Structure of (‒)-muscarone iodide Acta Crystallographica Section C 49(10) (1993) 1834-1837

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/2/00/13/2001334.cif $ #-------------------------------------------------------------------...

2,001,335

12.4588

0.0011

7.8993

0.0005

13.222

0.002

90

null

90

null

90

null

1,301.3

0.2

297

null

3

P b c a

-P 2ac 2ab

null

- C16 H14 O2 -

- C64 H56 O8 -

4

0.5

BR1031

Davis, D. S.; Fronczek, F. R.; Gandour, R. D.

Ethynylenebis(2-methoxybenzene)

Acta Crystallographica Section C

1,993

49

10

1833

1834

10.1107/S0108270193002732

1.54184

CuKα

null

0.039

null

0.063

null

4.054

null

has coordinates

Davis, D. S.; Fronczek, F. R.; Gandour, R. D. Ethynylenebis(2-methoxybenzene) Acta Crystallographica Section C 49(10) (1993) 1833-1834

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$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/2/00/13/2001335.cif $ #-------------------------------------------------------------------...

2,001,336

8.2844

0.0004

11.9757

0.001

14.5732

0.0006

68.929

0.005

89.855

0.004

71.337

0.005

1,267.82

0.15

293

null

293

null

3

P -1

-P 1

2

(trans-anti-cis)tetramethyl-1-(methoxymethoxymethyl)tricyclo[9.4.0.0^2,8^] pentadec-9-ene-5,5,13,13-tetracarboxylate

- C26 H38 O10 -

- C52 H76 O20 -

2

1

CD1042

Michel, A. G.; Drouin, M.

Functionalized hydrocarbons with condensed ring skeletons. XV. A (methoxymethoxymethyl)tricyclo[9.4.0.0^2,8^]pentadec-9-ene

Acta Crystallographica Section C

1,993

49

10

1830

1833

10.1107/S0108270193002756

0.7093

MoKα

0.069

0.039

null

0.031

0.028

null

1.58

null

has coordinates

Michel, A. G.; Drouin, M. Functionalized hydrocarbons with condensed ring skeletons. XV. A (methoxymethoxymethyl)tricyclo[9.4.0.0^2,8^]pentadec-9-ene Acta Crystallographica Section C 49(10) (1993) 1830-1833

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$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/2/00/13/2001336.cif $ #-------------------------------------------------------------------...

2,001,337

11.747

0.004

9.2937

0.001

12.983

0.003

90

null

99.63

0.019

90

null

1,397.4

0.6

293

null

293

null

3

P 1 21/c 1

-P 2ybc

14

1,2-trans-1,10-cis-1-methoxycardonyl-8,14-dioxotricyclo[8.4.0.0^2,7^]tetradec- 6-ene

- C16 H20 O4 -

- C64 H80 O16 -

4

1

CD1041

Michel, A. G.; Drouin, M.

Functionalized hydrocarbons with condensed ring skeletons. XIV. A dioxotricyclo[8.4.0.0^2,7^]tetradec-6-ene

Acta Crystallographica Section C

1,993

49

10

1828

1830

10.1107/S0108270193002975

0.7093

MoKα

0.048

0.034

null

0.032

0.03

null

1.85

null

has coordinates

Michel, A. G.; Drouin, M. Functionalized hydrocarbons with condensed ring skeletons. XIV. A dioxotricyclo[8.4.0.0^2,7^]tetradec-6-ene Acta Crystallographica Section C 49(10) (1993) 1828-1830

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$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/2/00/13/2001337.cif $ #-------------------------------------------------------------------...

2,001,338

6.669

0.002

14.842

0.001

7.7

0.001

90

null

96.58

0.01

90

null

757.1

0.3

293

null

293

null

5

P 1 21/n 1

-P 2yn

14

Phosphinoalanine monohydrate, 2-amino-3-phosphinopropanoic acid monohydrate

2-Amino-2-carboxyethylphosphinic acid monohydrate

- C3 H10 N O5 P -

- C12 H40 N4 O20 P4 -

4

1

HA1053

Schwalbe, C. H. W.; Freeman, S.; DasGupta, M.

2-Amino-2-carboxyethylphosphinic acid monohydrate

Acta Crystallographica Section C

1,993

49

10

1826

1828

10.1107/S0108270193003683

0.71069

MolybdenumKα

null

0.03

null

0.047

null

0.44

null

has coordinates

Schwalbe, C. H. W.; Freeman, S.; DasGupta, M. 2-Amino-2-carboxyethylphosphinic acid monohydrate Acta Crystallographica Section C 49(10) (1993) 1826-1828

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$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/2/00/13/2001338.cif $ #-------------------------------------------------------------------...

7,205,651

14.108

0.002

11.5703

0.0018

21.107

0.003

90

null

101.733

0.002

90

null

3,373.4

0.9

100

2

100

2

null

4

P 1 21/c 1

-P 2ybc

14

bis(3-picolinium) pamoate 3-picoline co-crystal

- C41 H37 N3 O6 -

- C164 H148 N12 O24 -

4

1

Wahl, Helene; Haynes, Delia A.; le Roex, Tanya

Solvate formation in lutidinium pamoate salts: a systematic study

CrystEngComm

2,011

13

7

2227

10.1039/c0ce00528b

0.71073

MoKα

0.0584

0.0402

null

0.0948

0.1059

null

1.032

null

has coordinates,has disorder

Wahl, Helene; Haynes, Delia A.; le Roex, Tanya Solvate formation in lutidinium pamoate salts: a systematic study CrystEngComm 13(7) (2011) 2227

180,387

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-26 17:19:08 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180387 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/56/7205651.cif $ #-------------------------------------------------------------------...

2,001,339

7.244

0.007

9.959

0.009

13.727

0.001

90

null

102.2

0.1

90

null

967.9

1.3

293

null

3

P 1 21 1

P 2yb

4

- C22 H36 O -

- C44 H72 O2 -

2

1

LI1047

Decanniere, K.; Maes, D.; Lisgarten, J. N.; Zegers, I.; Biesemans, M.

Structure of 23,24-dinor-5α-cholan-12-one

Acta Crystallographica Section C

1,993

49

10

1824

1826

10.1107/S0108270193003336

1.5418

CuKα

null

0.0491

null

0.0617

null

has coordinates

Decanniere, K.; Maes, D.; Lisgarten, J. N.; Zegers, I.; Biesemans, M. Structure of 23,24-dinor-5α-cholan-12-one Acta Crystallographica Section C 49(10) (1993) 1824-1826

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$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/2/00/13/2001339.cif $ #-------------------------------------------------------------------...

2,001,340

7.298

0.0003

16.0475

0.0008

7.9701

0.0003

90

null

108.289

0.004

90

null

886.26

0.07

298

null

3

P 1 21/n 1

-P 2yn

14

- C11 H10 O2 -

- C44 H40 O8 -

4

1

CD1038

Garcia, J. G.; Enas, J. D.; Fronczek, F. R.

Structure of a 2-acylindan-1-one

Acta Crystallographica Section C

1,993

49

10

1823

1824

10.1107/S0108270193002963

0.71073

MoKα

null

0.039

null

0.047

null

2.261

null

has coordinates

Garcia, J. G.; Enas, J. D.; Fronczek, F. R. Structure of a 2-acylindan-1-one Acta Crystallographica Section C 49(10) (1993) 1823-1824

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$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/2/00/13/2001340.cif $ #-------------------------------------------------------------------...

2,001,341

9.371

0.002

10.14

0.004

19.471

0.002

90

null

91.32

0.01

90

null

1,849.7

0.9

292

null

292

null

4

P 1 21/c 1

-P 2ybc

14

3-cyano-4-(2-methoxyphenyl)-1,1-diphenyl-2-aza-1,3-butadiene

- C23 H18 N2 O -

- C92 H72 N8 O4 -

4

1

KA1035

Angelova, O.; Macíček, J.; Dryanska, V.

Structures of 1,1-diphenyl-2-aza-1,3-butadienes. I. 3-Cyano-4-(n-methoxyphenyl)-1,1-diphenyl-2-aza-1,3-butadienes (n = 2, 3, 4)

Acta Crystallographica Section C

1,993

49

10

1813

1818

10.1107/S0108270193003695

0.71073

MoKα

null

0.038

null

0.046

null

1.297

null

has coordinates

Angelova, O.; Macíček, J.; Dryanska, V. Structures of 1,1-diphenyl-2-aza-1,3-butadienes. I. 3-Cyano-4-(n-methoxyphenyl)-1,1-diphenyl-2-aza-1,3-butadienes (n = 2, 3, 4) Acta Crystallographica Section C 49(10) (1993) 1813-1818

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$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/2/00/13/2001341.cif $ #-------------------------------------------------------------------...

7,205,650

12.3324

0.0014

12.9301

0.0015

18.078

0.002

90

null

99.542

0.002

90

null

2,842.8

0.6

100

2

100

2

null

4

C 1 2/c 1

-C 2yc

15

bis(4-picolinium) pamoate

- C35 H30 N2 O6 -

- C140 H120 N8 O24 -

4

0.5

Wahl, Helene; Haynes, Delia A.; le Roex, Tanya

Solvate formation in lutidinium pamoate salts: a systematic study

CrystEngComm

2,011

13

7

2227

10.1039/c0ce00528b

0.71073

MoKα

0.0497

0.038

null

0.0959

0.1031

null

1.067

null

has coordinates,has disorder

Wahl, Helene; Haynes, Delia A.; le Roex, Tanya Solvate formation in lutidinium pamoate salts: a systematic study CrystEngComm 13(7) (2011) 2227

301,863

2025-08-22

13:07:26

#------------------------------------------------------------------------------ #$Date: 2025-08-22 15:50:14 +0300 (Fri, 22 Aug 2025) $ #$Revision: 301863 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/56/7205650.cif $ #-------------------------------------------------------------------...

2,001,342

10.216

0.001

7.706

0.001

23.933

0.003

90

null

100.13

0.01

90

null

1,854.7

0.4

292

null

292

null

4

P 1 21/c 1

-P 2ybc

14

3-cyano-4-(3-methoxyphenyl)-1,1-diphenyl-2-aza-1,3-butadiene

- C23 H18 N2 O -

- C92 H72 N8 O4 -

4

1

KA1035

Angelova, O.; Macíček, J.; Dryanska, V.

Structures of 1,1-diphenyl-2-aza-1,3-butadienes. I. 3-Cyano-4-(n-methoxyphenyl)-1,1-diphenyl-2-aza-1,3-butadienes (n = 2, 3, 4)

Acta Crystallographica Section C

1,993

49

10

1813

1818

10.1107/S0108270193003695

0.71073

MoKα

null

0.043

null

0.056

null

1.606

null

has coordinates

Angelova, O.; Macíček, J.; Dryanska, V. Structures of 1,1-diphenyl-2-aza-1,3-butadienes. I. 3-Cyano-4-(n-methoxyphenyl)-1,1-diphenyl-2-aza-1,3-butadienes (n = 2, 3, 4) Acta Crystallographica Section C 49(10) (1993) 1813-1818

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$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/2/00/13/2001342.cif $ #-------------------------------------------------------------------...

2,001,343

9.319

0.001

10.391

0.001

10.953

0.001

116.41

0.01

103

0.01

91.49

0.01

915.87

0.19

292

null

292

null

4

P -1

-P 1

2

3-cyano-4-(4-methoxyphenyl)-1,1-diphenyl-2-aza-1,3-butadiene

- C23 H18 N2 O -

- C46 H36 N4 O2 -

2

1

KA1035

Angelova, O.; Macíček, J.; Dryanska, V.

Structures of 1,1-diphenyl-2-aza-1,3-butadienes. I. 3-Cyano-4-(n-methoxyphenyl)-1,1-diphenyl-2-aza-1,3-butadienes (n = 2, 3, 4)

Acta Crystallographica Section C

1,993

49

10

1813

1818

10.1107/S0108270193003695

0.71073

MoKα

null

0.042

null

0.051

null

1.435

null

has coordinates

Angelova, O.; Macíček, J.; Dryanska, V. Structures of 1,1-diphenyl-2-aza-1,3-butadienes. I. 3-Cyano-4-(n-methoxyphenyl)-1,1-diphenyl-2-aza-1,3-butadienes (n = 2, 3, 4) Acta Crystallographica Section C 49(10) (1993) 1813-1818

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$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/2/00/13/2001343.cif $ #-------------------------------------------------------------------...

2,001,344

6.103

0.001

12.04

0.001

18.997

0.002

90

null

90

null

90

null

1,395.9

0.3

294

null

2

P 21 21 21

P 2ac 2ab

null

- C19 H18 -

- C76 H72 -

4

1

HA1041

Beddoes, R. L.; Gorman, A. A.; McNeeney, S. P.

Structure of 2,3-diphenyl-2-norbornene: comparison with data for a cis-stilbene

Acta Crystallographica Section C

1,993

49

10

1811

1813

10.1107/S0108270193002914

0.71069

MoKα

null

0.05

null

0.051

null

0.83

null

has coordinates

Beddoes, R. L.; Gorman, A. A.; McNeeney, S. P. Structure of 2,3-diphenyl-2-norbornene: comparison with data for a cis-stilbene Acta Crystallographica Section C 49(10) (1993) 1811-1813

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$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/2/00/13/2001344.cif $ #-------------------------------------------------------------------...

7,205,649

13.8694

0.0011

12.7194

0.001

16.5587

0.0013

90

null

111.16

0.001

90

null

2,724.2

0.4

100

2

100

2

null

4

P 1 21/c 1

-P 2ybc

14

2-picolinium pamoate THF solvate

- C33 H31 N O7 -

- C132 H124 N4 O28 -

4

1

Wahl, Helene; Haynes, Delia A.; le Roex, Tanya

Solvate formation in lutidinium pamoate salts: a systematic study

CrystEngComm

2,011

13

7

2227

10.1039/c0ce00528b

0.71073

MoKα

0.0568

0.0421

null

0.1081

0.1188

null

1.048

null

has coordinates,has disorder

Wahl, Helene; Haynes, Delia A.; le Roex, Tanya Solvate formation in lutidinium pamoate salts: a systematic study CrystEngComm 13(7) (2011) 2227

301,863

2025-08-22

13:07:26

#------------------------------------------------------------------------------ #$Date: 2025-08-22 15:50:14 +0300 (Fri, 22 Aug 2025) $ #$Revision: 301863 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/56/7205649.cif $ #-------------------------------------------------------------------...

2,001,345

8.283

0.002

6.428

0.002

12.707

0.003

90

null

101.39

0.02

90

null

663.2

0.3

178

null

5

P 1 2/n 1

-P 2yac

13

- C2 F4 O4 P4 S4 -

- C4 F8 O8 P8 S8 -

2

0.5

HA1040

Jones, P. G.; Weinkauf, A.

9,9,10,10-Tetrafluoro-1,3,5,7-tetrathio-2,4,6,8-tetraaoxa-1,3,5,7-tetraphosphatricyclo[3.3.1.1^3,7^]decane, P~4~O~4~(CF~2~)~2~S~4~: a cage structure related to P~4~O~6~

Acta Crystallographica Section C

1,993

49

10

1810

1811

10.1107/S0108270193003014

0.71069

MoKα

null

0.027

null

0.038

null

2

null

has coordinates

Jones, P. G.; Weinkauf, A. 9,9,10,10-Tetrafluoro-1,3,5,7-tetrathio-2,4,6,8-tetraaoxa-1,3,5,7-tetraphosphatricyclo[3.3.1.1^3,7^]decane, P~4~O~4~(CF~2~)~2~S~4~: a cage structure related to P~4~O~6~ Acta Crystallographica Section C 49(10) (1993) 1810-1811

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$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/2/00/13/2001345.cif $ #-------------------------------------------------------------------...

2,001,346

10.622

0.001

11.249

0.002

9.654

0.001

90

null

113.9

0.01

90

null

1,054.6

0.3

295

null

3

P 1 21/c 1

-P 2ybc

null

- C13 H14 O2 -

- C52 H56 O8 -

4

1

SH1043

Aebi, R.; Buechel, R.; Bürgi, H.-B.; Foertsch, M.; Venugopalan, P.

5-Methoxy-3,3a,8,8a-tetrahydro-1H-cyclopenta[a]inden-2-one

Acta Crystallographica Section C

1,993

49

10

1808

1809

10.1107/S0108270193003117

0.71069

MoKα

null

0.039

null

0.058

null

0.875

null

has coordinates

Aebi, R.; Buechel, R.; Bürgi, H.-B.; Foertsch, M.; Venugopalan, P. 5-Methoxy-3,3a,8,8a-tetrahydro-1H-cyclopenta[a]inden-2-one Acta Crystallographica Section C 49(10) (1993) 1808-1809

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$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/2/00/13/2001346.cif $ #-------------------------------------------------------------------...

2,001,347

13.407

0.009

8.483

0.008

9.94

0.008

90

null

90

null

90

null

1,130.5

1.6

296

null

296

null

6

P n m a

-P 2ac 2n

62

N-Fluoroquinuclidinium Triflate

N-Fluoroquinuclidinium Trifluoromethanesulfonate

- C8 H13 F4 N O3 S -

- C32 H52 F16 N4 O12 S4 -

4

0.5

AL1049

Banks, R. E.; Pritchard, R. G.; Sharif, I.

N-Fluoroquinuclidinium trifluoromethanesulfonate (triflate): a novel electrophilic fluorinating agent

Acta Crystallographica Section C

1,993

49

10

1806

1807

10.1107/S0108270193003646

0.71069

MoKα

null

0.0557

null

0.0718

null

2.692

null

has coordinates

Banks, R. E.; Pritchard, R. G.; Sharif, I. N-Fluoroquinuclidinium trifluoromethanesulfonate (triflate): a novel electrophilic fluorinating agent Acta Crystallographica Section C 49(10) (1993) 1806-1807

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$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/2/00/13/2001347.cif $ #-------------------------------------------------------------------...

7,205,648

9.5321

0.0009

10.0301

0.001

14.9869

0.0015

81.54

0.001

87.445

0.001

87.28

0.001

1,414.7

0.2

100

2

100

2

null

4

P -1

-P 1

2

bis(3-picolinium) pamoate

- C35 H30 N2 O6 -

- C70 H60 N4 O12 -

2

1

Wahl, Helene; Haynes, Delia A.; le Roex, Tanya

Solvate formation in lutidinium pamoate salts: a systematic study

CrystEngComm

2,011

13

7

2227

10.1039/c0ce00528b

0.71073

MoKα

0.0455

0.0372

null

0.0957

0.1025

null

1.053

null

has coordinates

Wahl, Helene; Haynes, Delia A.; le Roex, Tanya Solvate formation in lutidinium pamoate salts: a systematic study CrystEngComm 13(7) (2011) 2227

202,017

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-10-14 22:27:35 +0300 (Sat, 14 Oct 2017) $ #$Revision: 202017 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/56/7205648.cif $ #-------------------------------------------------------------------...

2,001,348

15.233

0.0008

8.1208

0.0005

15.6685

0.0008

90

null

93.132

0.004

90

null

1,935.36

0.19

296.15

null

296.15

null

3

P 1 21/n 1

-P 2yn

14

endo-(5S^*^,6S^*^,11R^*^,12R^*^)-5,6,11,12-Tetrahydro-5,6-dihydroxy-4,11,12- trimethoxy-9,13,13-trimethyl-6,10-methano-8(7H)-benzocyclodecenone

- C21 H28 O6 -

- C84 H112 O24 -

4

1

AS1058

Kamei, S.; Sakai, Y.; Ohashi, Y.; Tsuruta, K.; Horiguchi, Y.; Kuwajima, I.

Structure of endo-(5S*,6S*,11R*,12R*)-5,6,11,12-tetrahydro-5,6-dihydroxy-4,11,12-trimethoxy-9,13,13-trimethyl-6,10-methano-8(7H)-benzocyclodecenone

Acta Crystallographica Section C

1,993

49

10

1802

1804

10.1107/S0108270193003968

1.54178

CuKα

null

0.0523

null

0.0648

null

2.044

null

has coordinates

Kamei, S.; Sakai, Y.; Ohashi, Y.; Tsuruta, K.; Horiguchi, Y.; Kuwajima, I. Structure of endo-(5S*,6S*,11R*,12R*)-5,6,11,12-tetrahydro-5,6-dihydroxy-4,11,12-trimethoxy-9,13,13-trimethyl-6,10-methano-8(7H)-benzocyclodecenone Acta Crystallographica Section C 49(10) (1993) 1802-180...

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$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/2/00/13/2001348.cif $ #-------------------------------------------------------------------...

2,001,349

8.087

0.003

9.365

0.001

6.2

0.001

98.45

0.01

98.19

0.03

99.75

0.02

451

0.2

296

null

296

null

3

P -1

-P 1

2

(3R^*^,6S^*^)-3,6-Bis(methoxymethoxy)-2,2,7,7-tetramethyl-4-octene

- C16 H32 O4 -

1

0.5

AS1056

Nemoto, T.; Ohashi, Y.; Arai, M.; Nakamura, E.

Structure of (3R*,6S*)-3,6-bis(methoxymethoxy)-2,2,7,7-tetramethyl-4-octene

Acta Crystallographica Section C

1,993

49

10

1801

1802

10.1107/S0108270193003440

0.71069

MoKα

null

0.058

null

0.035

null

3.01

null

has coordinates

Nemoto, T.; Ohashi, Y.; Arai, M.; Nakamura, E. Structure of (3R*,6S*)-3,6-bis(methoxymethoxy)-2,2,7,7-tetramethyl-4-octene Acta Crystallographica Section C 49(10) (1993) 1801-1802

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$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/2/00/13/2001349.cif $ #-------------------------------------------------------------------...

7,205,647

26.404

0.002

4.7782

0.0004

24.059

0.002

90

null

115.175

0.002

90

null

2,747

0.4

100

2

100

2

null

4

C 1 2/c 1

-C 2yc

15

bis(2-picoline) pamoaic acid co-crystal

- C35 H30 N2 O6 -

- C140 H120 N8 O24 -

4

0.5

Wahl, Helene; Haynes, Delia A.; le Roex, Tanya

Solvate formation in lutidinium pamoate salts: a systematic study

CrystEngComm

2,011

13

7

2227

10.1039/c0ce00528b

0.71073

MoKα

0.0532

0.0401

null

0.097

0.1064

null

1.02

null

has coordinates

Wahl, Helene; Haynes, Delia A.; le Roex, Tanya Solvate formation in lutidinium pamoate salts: a systematic study CrystEngComm 13(7) (2011) 2227

301,863

2025-08-22

13:07:26

#------------------------------------------------------------------------------ #$Date: 2025-08-22 15:50:14 +0300 (Fri, 22 Aug 2025) $ #$Revision: 301863 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/56/7205647.cif $ #-------------------------------------------------------------------...

2,001,350

13.436

0.002

7.001

0.002

20.698

0.003

90

null

93.56

0.02

90

null

1,943.2

0.7

299

null

4

P 1 21/c 1

-P 2ybc

null

- C22 H26 O2 Si -

- C88 H104 O8 Si4 -

4

1

BR1034

Delord, T. J.; Fronczek, F. R.; Betancourt de Perez, R. M.; Larson, G. L.

Structure of an α-(methyldiphenylsilyl)-γ-lactone

Acta Crystallographica Section C

1,993

49

10

1799

1801

10.1107/S010827019300263X

0.71073

MoKα

null

0.084

null

0.039

null

1.262

null

has coordinates

Delord, T. J.; Fronczek, F. R.; Betancourt de Perez, R. M.; Larson, G. L. Structure of an α-(methyldiphenylsilyl)-γ-lactone Acta Crystallographica Section C 49(10) (1993) 1799-1801

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$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/2/00/13/2001350.cif $ #-------------------------------------------------------------------...

2,001,351

7.764

0.003

18.692

0.008

13.775

0.006

90

null

100.05

0.03

90

null

1,968.4

1.4

243

null

4

P 1 21 1

P 2yb

4

- C34 H60 O14 S2 -

- C34 H57 O14 S2 -

- C68 H114 O28 S4 -

2

1

CD1024

Chênevert, R.; Gagnon, R.; Bélanger-Gariépy, F.

18-Crown-6‒bis(methyl 10-camphorsulfonate) (1/2)

Acta Crystallographica Section C

1,993

49

10

1796

1799

10.1107/S0108270192012794

0.7093

MoKα

null

0.054

null

0.059

null

2.31

null

has coordinates,has disorder

Chênevert, R.; Gagnon, R.; Bélanger-Gariépy, F. 18-Crown-6‒bis(methyl 10-camphorsulfonate) (1/2) Acta Crystallographica Section C 49(10) (1993) 1796-1799

206,191

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2018-02-05 16:43:04 +0200 (Mon, 05 Feb 2018) $ #$Revision: 206191 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/13/2001351.cif $ #-------------------------------------------------------------------...

2,001,352

22.268

0.008

9.039

0.002

12.361

0.005

90

null

100.27

0.03

90

null

2,448.2

1.4

294

null

4

C 1 2/c 1

-C 2yc

15

- C24 H20 P2 S4 -

- C96 H80 P8 S16 -

4

0.5

CR1049

Gallacher, A. C.; Pinkerton, A. A.

Structures of the bis(diarylthiophosphoryl) disulfides [Ph~2~P(S)]~2~S~2~ and [(PhO)~2~P(S)]~2~S~2~ and the question of P–S π bonding

Acta Crystallographica Section C

1,993

49

10

1793

1796

10.1107/S010827019300366X

0.71073

MoKα

null

0.034

null

0.043

null

1.265

null

has coordinates

Gallacher, A. C.; Pinkerton, A. A. Structures of the bis(diarylthiophosphoryl) disulfides [Ph~2~P(S)]~2~S~2~ and [(PhO)~2~P(S)]~2~S~2~ and the question of P–S π bonding Acta Crystallographica Section C 49(10) (1993) 1793-1796

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$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/2/00/13/2001352.cif $ #-------------------------------------------------------------------...

2,001,353

6.618

0.001

11.584

0.002

34.533

0.004

90

null

90

null

90

null

2,647.4

0.7

294

null

5

P 21 21 21

P 2ac 2ab

19

- C24 H20 O4 P2 S4 -

- C96 H80 O16 P8 S16 -

4

1

CR1049

Gallacher, A. C.; Pinkerton, A. A.

Structures of the bis(diarylthiophosphoryl) disulfides [Ph~2~P(S)]~2~S~2~ and [(PhO)~2~P(S)]~2~S~2~ and the question of P–S π bonding

Acta Crystallographica Section C

1,993

49

10

1793

1796

10.1107/S010827019300366X

0.71073

Mo-Kα

null

0.034

null

0.043

null

1.274

null

has coordinates

Gallacher, A. C.; Pinkerton, A. A. Structures of the bis(diarylthiophosphoryl) disulfides [Ph~2~P(S)]~2~S~2~ and [(PhO)~2~P(S)]~2~S~2~ and the question of P–S π bonding Acta Crystallographica Section C 49(10) (1993) 1793-1796

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$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/2/00/13/2001353.cif $ #-------------------------------------------------------------------...

7,205,646

7.6795

0.0014

10.384

0.002

20.335

0.004

88.829

0.002

83.31

0.002

74.932

0.002

1,555.1

0.5

100

2

100

2

null

4

P -1

-P 1

2

3,4 lutidinium pamoate NMP solvate

- C28 H24.5 N O7 -

- C56 H49 N2 O14 -

2

1

Wahl, Helene; Haynes, Delia A.; le Roex, Tanya

Solvate formation in lutidinium pamoate salts: a systematic study

CrystEngComm

2,011

13

7

2227

10.1039/c0ce00528b

0.71073

MoKα

0.0537

0.0446

null

0.1325

0.1384

null

1.108

null

has coordinates

Wahl, Helene; Haynes, Delia A.; le Roex, Tanya Solvate formation in lutidinium pamoate salts: a systematic study CrystEngComm 13(7) (2011) 2227

202,017

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-10-14 22:27:35 +0300 (Sat, 14 Oct 2017) $ #$Revision: 202017 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/56/7205646.cif $ #-------------------------------------------------------------------...

2,001,354

9.755

0.004

10.8

0.004

17.797

0.007

90

null

90

null

90

null

1,875

1.3

293

2

293

2

null

4

P 21 21 21

P 2ac 2ab

19

- C20 H24 N2 O2 -

- C80 H96 N8 O8 -

4

1

HH1061

Flippen-Anderson, J. L.; Zajac, W. W.; Buzby, J. H.; Walters, T. R.

Structure of 1-benzoyl-4,4,5,5-tetramethyl-2-phenylimidazoline hydrate

Acta Crystallographica Section C

1,993

49

10

1792

1793

10.1107/S0108270193002276

0.71073

MoKα

0.0574

0.044

null

0.1377

0.1148

null

1.118

1.111

null

has coordinates

Flippen-Anderson, J. L.; Zajac, W. W.; Buzby, J. H.; Walters, T. R. Structure of 1-benzoyl-4,4,5,5-tetramethyl-2-phenylimidazoline hydrate Acta Crystallographica Section C 49(10) (1993) 1792-1793

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$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/2/00/13/2001354.cif $ #-------------------------------------------------------------------...

2,001,355

9.487

0.004

9.179

0.004

10.666

0.007

90

null

90

null

90

null

928.8

0.8

null

4

P 21 21 21

P 2ac 2ab

null

Poldervaartite

- Ca2 H2 O5 Si -

- Ca2 O5 Si -

- Ca16 O40 Si8 -

8

2

OH0018

Yano, T.; Urabe, K.; Ikawa, H.; Teraushi, T.; Ishizawa, N.; Udagawa, S.

Structure of α-dicalcium silicate hydrate

Acta Crystallographica Section C

1,993

49

9

1555

1559

10.1107/S0108270193004767

0.71069

Mo

null

has coordinates

Yano, T.; Urabe, K.; Ikawa, H.; Teraushi, T.; Ishizawa, N.; Udagawa, S. Structure of α-dicalcium silicate hydrate Acta Crystallographica Section C 49(9) (1993) 1555-1559

282,068

2023-03-26

10:12:03

#------------------------------------------------------------------------------ #$Date: 2023-03-26 11:09:57 +0300 (Sun, 26 Mar 2023) $ #$Revision: 282068 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/13/2001355.cif $ #-------------------------------------------------------------------...

2,001,356

7.127

0.004

7.127

0.004

7.127

0.004

90

null

90

null

90

null

362

0.4

298

null

3

P 41 3 2

null

- Ag3 Cu12 Y5 -

- Ag24 Cu144 Y40 -

1

0.041667

AL1043

Zeng, L.; Li, D.; Zhuang, Y.

Structure of Ag~3~Cu~12~Y~5~, a new ternary compound

Acta Crystallographica Section C

1,993

49

9

1559

1561

10.1107/S0108270193003634

1.54178

CuKα

null

has coordinates

Zeng, L.; Li, D.; Zhuang, Y. Structure of Ag~3~Cu~12~Y~5~, a new ternary compound Acta Crystallographica Section C 49(9) (1993) 1559-1561

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/2/00/13/2001356.cif $ #-------------------------------------------------------------------...

7,205,645

14.4128

0.0007

24.7372

0.0011

16.132

0.0007

90

null

91.63

0.001

90

null

5,749.3

0.5

100

2

100

2

null

4

P 1 21/n 1

-P 2yn

14

pamoic acid NMP solvate

- C33 H34 N2 O8 -

- C264 H272 N16 O64 -

8

2

Wahl, Helene; Haynes, Delia A.; le Roex, Tanya

Solvate formation in lutidinium pamoate salts: a systematic study

CrystEngComm

2,011

13

7

2227

10.1039/c0ce00528b

0.71073

MoKα

0.0719

0.0404

null

0.0796

0.0918

null

0.905

null

has coordinates,has disorder

Wahl, Helene; Haynes, Delia A.; le Roex, Tanya Solvate formation in lutidinium pamoate salts: a systematic study CrystEngComm 13(7) (2011) 2227

301,863

2025-08-22

13:07:26

#------------------------------------------------------------------------------ #$Date: 2025-08-22 15:50:14 +0300 (Fri, 22 Aug 2025) $ #$Revision: 301863 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/56/7205645.cif $ #-------------------------------------------------------------------...

2,001,357

10.549

0.001

9.2465

0.0009

25.256

0.002

90

null

101.42

0.01

90

null

2,414.7

0.4

null

6

P 1 21/c 1

-P 2ybc

null

- C16 H28 Cl2 Cu N6 O8 -

- C64 H112 Cl8 Cu4 N24 O32 -

4

1

ST1040

Stibrany, R. T.; Potenza, J. A.; Schugar, H. J.

Isostructural trigonal-bipyramidal Cu^II^ and nominally 1% Cu^II^-doped Zn^II^ complexes with N~5~ ligation

Acta Crystallographica Section C

1,993

49

9

1561

1564

10.1107/S0108270193004275

0.71073

Mo

null

has coordinates

Stibrany, R. T.; Potenza, J. A.; Schugar, H. J. Isostructural trigonal-bipyramidal Cu^II^ and nominally 1% Cu^II^-doped Zn^II^ complexes with N~5~ ligation Acta Crystallographica Section C 49(9) (1993) 1561-1564

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/2/00/13/2001357.cif $ #-------------------------------------------------------------------...

2,001,358

4.872

0.002

11.526

0.004

15.811

0.004

90

null

90

null

90

null

887.9

0.5

null

3

P 21 21 21

P 2ac 2ab

null

- C13 H9 N -

- C52 H36 N4 -

4

1

SE1015

Brett, W. A.; Rademacher, P.; Boese, R.

Redetermination of the structure of phenanthridine

Acta Crystallographica Section C

1,993

49

9

1564

1566

10.1107/S0108270193005062

0.71069

Mo

null

has coordinates

Brett, W. A.; Rademacher, P.; Boese, R. Redetermination of the structure of phenanthridine Acta Crystallographica Section C 49(9) (1993) 1564-1566

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$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/2/00/13/2001358.cif $ #-------------------------------------------------------------------...

2,001,359

22.386

0.004

22.386

0.004

13.8834

0.0007

90

null

90

null

90

null

6,957.4

1.8

null

3

I 41/a

-I 4ad

null

- C10 H10 S2 -

- C320 H320 S64 -

32

null

SE1016

Brett, W. A.; Rademacher, P.; Boese, R.

Structure of 1,3,6,8-tetrahydrodithieno[3,4-a:3',4'-c]benzene

Acta Crystallographica Section C

1,993

49

9

1566

1568

10.1107/S0108270193005074

0.71069

Mo

null

has coordinates

Brett, W. A.; Rademacher, P.; Boese, R. Structure of 1,3,6,8-tetrahydrodithieno[3,4-a:3',4'-c]benzene Acta Crystallographica Section C 49(9) (1993) 1566-1568

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$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/2/00/13/2001359.cif $ #-------------------------------------------------------------------...

2,001,360

12.577

0.002

12.577

0.002

29.893

0.004

90

null

90

null

90

null

4,728.5

1.2

null

4

P 43 21 2

P 41n 2abw

null

- C25 H31 N3 O6 -

- C200 H248 N24 O48 -

8

1

HH1000

Wang, B.; Takusagawa, F.; Mertes, M. P.; Bowman-James, K.

Structure of the product from a novel cyclization reaction involving a C(6)-substituted uridine analog

Acta Crystallographica Section C

1,993

49

9

1568

1571

10.1107/S0108270193004123

1.5418

Cu

null

has coordinates

Wang, B.; Takusagawa, F.; Mertes, M. P.; Bowman-James, K. Structure of the product from a novel cyclization reaction involving a C(6)-substituted uridine analog Acta Crystallographica Section C 49(9) (1993) 1568-1571

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$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/2/00/13/2001360.cif $ #-------------------------------------------------------------------...

7,205,644

7.637

0.0006

10.423

0.0008

20.033

0.0016

89.292

0.001

85.445

0.001

74.644

0.001

1,532.8

0.2

100

2

100

2

null

4

P -1

-P 1

2

2,5 lutidinium pamoate NMP solvate

- C28 H24.5 N O7 -

- C56 H49 N2 O14 -

2

1

Wahl, Helene; Haynes, Delia A.; le Roex, Tanya

Solvate formation in lutidinium pamoate salts: a systematic study

CrystEngComm

2,011

13

7

2227

10.1039/c0ce00528b

0.71073

MoKα

0.0499

0.0417

null

0.1175

0.1225

null

1.131

null

has coordinates

Wahl, Helene; Haynes, Delia A.; le Roex, Tanya Solvate formation in lutidinium pamoate salts: a systematic study CrystEngComm 13(7) (2011) 2227

202,017

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-10-14 22:27:35 +0300 (Sat, 14 Oct 2017) $ #$Revision: 202017 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/56/7205644.cif $ #-------------------------------------------------------------------...

2,001,361

19.79

0.01

15.609

0.009

42.17

0.04

90

null

92.63

0.06

90

null

13,013

16

298

null

298

null

6

C 1 2/c 1

-C 2yc

15

Sodium tetrastrontium decatungstoeuropate 34.5-hydrate 'W10 Eu Sr4 Na O70.5 H69'

- Eu H69 Na O70.5 Sr4 W10 -

- Eu Na O70.5 Sr4 W10 -

- Eu8 Na8 O564 Sr32 W80 -

8

1

AS1050

Yamase, T.; Ozeki, T.; Ueda, K.

Structure of NaSr~4~[EuW~10~O~36~].34.5H~2~O

Acta Crystallographica Section C

1,993

49

9

1572

1574

10.1107/S0108270193002082

0.71069

MoKα

null

0.067

null

0.0589

null

1.77

null

has coordinates

Yamase, T.; Ozeki, T.; Ueda, K. Structure of NaSr~4~[EuW~10~O~36~].34.5H~2~O Acta Crystallographica Section C 49(9) (1993) 1572-1574

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/2/00/13/2001361.cif $ #-------------------------------------------------------------------...

2,001,362

29.894

0.005

16.072

0.003

11.446

0.003

90

null

96.32

0.02

90

null

5,466

2

298

null

290

null

6

P 1 21/n 1

-P 2yn

14

Tripotassium Tetrasodium Dihydrogen Decatungstosamarate 22 Hydrate

- H46 K3 Na4 O58 Sm W10 -

- K3 Na4 O58.0001 Sm W10 -

- K12 Na16 O232 Sm4 W40 -

4

1

AS1049

Ozeki, T.; Yamase, T.

Structure of K~3~Na~4~H~2~[SmW~10~O~36~].22H~2~O

Acta Crystallographica Section C

1,993

49

9

1574

1577

10.1107/S0108270193002070

0.71069

MoKα

null

0.0528

null

0.0346

null

2.03

null

has coordinates

Ozeki, T.; Yamase, T. Structure of K~3~Na~4~H~2~[SmW~10~O~36~].22H~2~O Acta Crystallographica Section C 49(9) (1993) 1574-1577

192,027

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-02-13 17:46:56 +0200 (Mon, 13 Feb 2017) $ #$Revision: 192027 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/13/2001362.cif $ #-------------------------------------------------------------------...

2,001,363

29.92

0.005

16.103

0.005

11.449

0.003

90

null

96.36

0.01

90

null

5,482

2

298.15

null

298.15

null

6

P 1 21/n 1

-P 2yn

14

Tripotassium Tetrasodium Digydrogen Decatungstogadolinate 21 Hydrate

- Gd H44 K3 Na4 O57 W10 -

- Gd K3 Na4 O57 W10 -

- Gd4 K12 Na16 O228 W40 -

4

1

AS1055

Yamase, T.; Ozeki, T.

Structure of K~3~Na~4~H~2~[GdW~10~O~36~].21H~2~O

Acta Crystallographica Section C

1,993

49

9

1577

1580

10.1107/S0108270193003300

0.71069

MoKα

null

0.0585

null

0.0519

null

2.152

null

has coordinates

Yamase, T.; Ozeki, T. Structure of K~3~Na~4~H~2~[GdW~10~O~36~].21H~2~O Acta Crystallographica Section C 49(9) (1993) 1577-1580

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/2/00/13/2001363.cif $ #-------------------------------------------------------------------...

2,001,364

10.176

0.001

9.1471

0.0005

22.91

0.003

90

null

105.14

0.07

90

null

2,058.5

0.8

295

null

3

P 1 21/c 1

-P 2ybc

null

- La5 Mo32 O54 -

- La10 Mo64 O108 -

2

0.5

DU1032

Gall, P.; Toupet, L.; Gougeon, P.

Structure of La~5~Mo~32~O~54~ containing trans bicapped Mo~8~ octahedral clusters and tricluster Mo~7~‒Mo~10~‒Mo~7~ chain fragments

Acta Crystallographica Section C

1,993

49

9

1580

1584

10.1107/S0108270193001532

0.71073

MoKα

null

0.028

null

0.04

null

1.26

null

has coordinates

Gall, P.; Toupet, L.; Gougeon, P. Structure of La~5~Mo~32~O~54~ containing trans bicapped Mo~8~ octahedral clusters and tricluster Mo~7~‒Mo~10~‒Mo~7~ chain fragments Acta Crystallographica Section C 49(9) (1993) 1580-1584

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/2/00/13/2001364.cif $ #-------------------------------------------------------------------...

7,205,643

7.6968

0.0008

9.0998

0.0009

21.112

0.002

82.041

0.001

86.546

0.001

79.883

0.001

1,440.7

0.2

100

2

100

2

null

4

P -1

-P 1

2

2,4 lutidinium pamoate NMP solvate

- C35 H34 N2 O7 -

- C70 H68 N4 O14 -

2

1

Wahl, Helene; Haynes, Delia A.; le Roex, Tanya

Solvate formation in lutidinium pamoate salts: a systematic study

CrystEngComm

2,011

13

7

2227

10.1039/c0ce00528b

0.71073

MoKα

0.0536

0.0471

null

0.1216

0.1285

null

1.039

null

has coordinates

Wahl, Helene; Haynes, Delia A.; le Roex, Tanya Solvate formation in lutidinium pamoate salts: a systematic study CrystEngComm 13(7) (2011) 2227

202,017

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-10-14 22:27:35 +0300 (Sat, 14 Oct 2017) $ #$Revision: 202017 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/56/7205643.cif $ #-------------------------------------------------------------------...

2,001,365

3.885

0.004

3.885

0.004

6.947

0.004

90

null

90

null

90

null

104.85

0.16

113

null

113

null

3

P 4/n m m :2

-P 4a 2a

129

uranium oxyselenide

- O Se U -

- O2 Se2 U2 -

2

0.125

ST1058

Mansuetto, M. F.; Jobic, S.; Ng, H. P.; Ibers, J. A.

Structure of UOSe

Acta Crystallographica Section C

1,993

49

9

1584

1585

10.1107/S0108270193002380

0.7093

MoKα

0.0226

0.0215

null

0.0491

0.0481

null

1.079

1.094

null

has coordinates

Mansuetto, M. F.; Jobic, S.; Ng, H. P.; Ibers, J. A. Structure of UOSe Acta Crystallographica Section C 49(9) (1993) 1584-1585

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/2/00/13/2001365.cif $ #-------------------------------------------------------------------...

2,001,366

8.2785

0.0002

8.2785

0.0002

8.2785

0.0002

90

null

90

null

90

null

567.36

0.02

298

null

4

I m -3 m

-I 4 2 3

null

- Ba4 Na O12 Sb3 -

- Ba8 Na2 O24 Sb6 -

2

0.020833

ST1048

Reis, K. P.; Jacobson, A. J.

Structure of Ba~4~NaSb~3~O~12~ by neutron powder diffraction

Acta Crystallographica Section C

1,993

49

9

1585

1588

10.1107/S0108270193002379

neutron

null

NeutronTOF

null

7.25

null

10.63

null

has coordinates

Reis, K. P.; Jacobson, A. J. Structure of Ba~4~NaSb~3~O~12~ by neutron powder diffraction Acta Crystallographica Section C 49(9) (1993) 1585-1588

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/2/00/13/2001366.cif $ #-------------------------------------------------------------------...

2,001,367

8.598

0.002

8.598

0.002

7.312

0.003

90

null

90

null

90

null

540.5

0.3

296

null

3

I 4/m c m

-I 4 2c

null

- In K Te2 -

- In4 K4 Te8 -

4

0.125

ST1049

Hung, Y.-C.; Hwu, S.-J.

The KInTe~2~ structure revisited

Acta Crystallographica Section C

1,993

49

9

1588

1589

10.1107/S0108270193003038

0.71069

MoKα

null

0.021

null

0.032

null

1.61

null

has coordinates

Hung, Y.-C.; Hwu, S.-J. The KInTe~2~ structure revisited Acta Crystallographica Section C 49(9) (1993) 1588-1589

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/2/00/13/2001367.cif $ #-------------------------------------------------------------------...

2,001,368

9.134

0.004

16.801

0.006

17.335

0.008

90

null

99.15

0.03

90

null

2,626.4

1.9

293

null

6

C 1 2/c 1

-C 2yc

null

- C12 H13 Cl2 Cu N2 O0.5 -

- C96 H104 Cl16 Cu8 N16 O4 -

8

1

CD1026

González Q., O.; Atria, A. M.; Spodine, E.; Manzur, J.; Garland, M. T.

Structure of dimeric dichloro(4,4'-dimethyl-2,2'-bipyridine)copper(II) hemihydrate

Acta Crystallographica Section C

1,993

49

9

1589

1591

10.1107/S0108270193001969

0.71073

MoKα

null

0.039

null

0.052

null

1.21

null

has coordinates

González Q., O.; Atria, A. M.; Spodine, E.; Manzur, J.; Garland, M. T. Structure of dimeric dichloro(4,4'-dimethyl-2,2'-bipyridine)copper(II) hemihydrate Acta Crystallographica Section C 49(9) (1993) 1589-1591

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/2/00/13/2001368.cif $ #-------------------------------------------------------------------...

2,001,369

12.928

0.002

14.814

0.002

15.028

0.003

90

null

90

null

90

null

2,878.1

0.8

293

null

5

P 21 21 21

P 2ac 2ab

19

- C26 H24 P S6 W -

- C104 H96 P4 S24 W4 -

4

1

AL1035

Burrow, T. E.; Morris, R. H.; Hills, A.; Hughes, D. L.; Richards, R. L.

Structure of dimethyl(phenyl)phosphonium tris(1,2-benzenedithiolato)tungsten(V)

Acta Crystallographica Section C

1,993

49

9

1591

1594

10.1107/S0108270193001295

0.71069

MoKα

null

0.078

null

0.064

null

has coordinates

Burrow, T. E.; Morris, R. H.; Hills, A.; Hughes, D. L.; Richards, R. L. Structure of dimethyl(phenyl)phosphonium tris(1,2-benzenedithiolato)tungsten(V) Acta Crystallographica Section C 49(9) (1993) 1591-1594

203,417

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-11-21 16:38:23 +0200 (Tue, 21 Nov 2017) $ #$Revision: 203417 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/13/2001369.cif $ #-------------------------------------------------------------------...

7,205,642

13.661

0.0019

13.7621

0.0019

16.906

0.002

90

null

112.929

0.002

90

null

2,927.3

0.7

100

2

100

2

null

4

P 1 21/c 1

-P 2ybc

14

2,3 lutidinium pamoate NMP solvate

- C35 H34 N2 O7 -

- C140 H136 N8 O28 -

4

1

Wahl, Helene; Haynes, Delia A.; le Roex, Tanya

Solvate formation in lutidinium pamoate salts: a systematic study

CrystEngComm

2,011

13

7

2227

10.1039/c0ce00528b

0.71073

MoKα

0.0838

0.0597

null

0.1615

0.1812

null

1.071

null

has coordinates,has disorder

Wahl, Helene; Haynes, Delia A.; le Roex, Tanya Solvate formation in lutidinium pamoate salts: a systematic study CrystEngComm 13(7) (2011) 2227

301,863

2025-08-22

13:07:26

#------------------------------------------------------------------------------ #$Date: 2025-08-22 15:50:14 +0300 (Fri, 22 Aug 2025) $ #$Revision: 301863 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/56/7205642.cif $ #-------------------------------------------------------------------...

2,001,370

14.7507

0.0006

14.7507

0.0006

19.373

0.001

90

null

90

null

120

null

3,650.5

0.3

298

null

5

R 3 c :H

R 3 -2"c

161

- C12 H36 Bi Cl6 N3 -

- C72 H216 Bi6 Cl36 N18 -

6

0.333333

SH1023

Jarraya, S.; Salah, A. B.; Daoud, A.; Rothammel, W.; Burzlaff, H.

Structure of [(C~2~H~5~)~2~NH~2~]~3~BiCl~6~

Acta Crystallographica Section C

1,993

49

9

1594

1596

10.1107/S0108270193001283

0.70926

MoKα~1~

null

0.0177

null

0.0159

null

2.27

null

has coordinates

Jarraya, S.; Salah, A. B.; Daoud, A.; Rothammel, W.; Burzlaff, H. Structure of [(C~2~H~5~)~2~NH~2~]~3~BiCl~6~ Acta Crystallographica Section C 49(9) (1993) 1594-1596

203,907

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-12-03 20:15:53 +0200 (Sun, 03 Dec 2017) $ #$Revision: 203907 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/13/2001370.cif $ #-------------------------------------------------------------------...

2,001,371

16.32

0.001

9.153

0.001

8.649

0.001

90

null

95.21

0.01

90

null

1,286.6

0.2

293

null

5

A 1 2/a 1

-A 2ya

null

- C6 H16 Cl2 Hg N4 -

- C24 H64 Cl8 Hg4 N16 -

4

0.5

SH1015

Zouari, R.; Salah, A. B.; Daoud, A.; Rothammel, W.; Burzlaff, H.

Structure of [NH~3~(C~2~H~5~)]~2~[Hg(CN)~2~Cl~2~]

Acta Crystallographica Section C

1,993

49

9

1596

1598

10.1107/S0108270193002124

0.70926

MoKα~1~

null

0.039

null

0.0392

null

2.54

null

has coordinates

Zouari, R.; Salah, A. B.; Daoud, A.; Rothammel, W.; Burzlaff, H. Structure of [NH~3~(C~2~H~5~)]~2~[Hg(CN)~2~Cl~2~] Acta Crystallographica Section C 49(9) (1993) 1596-1598

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/2/00/13/2001371.cif $ #-------------------------------------------------------------------...

2,001,372

15.61

0.004

14.809

0.005

25.918

0.009

90

null

92.34

0.02

90

null

5,986

3

130

null

6

P 1 21/c 1

-P 2ybc

null

- C60 H56 Cl2 N14 O10 Pt2 -

- C240 H224 Cl8 N56 O40 Pt8 -

4

1

HH1046

Bailey, J. A.; Catalano, V. J.; Gray, H. B.

A monodentate 1,3-diphenyl-2-triazeno terpyridineplatinum(II) complex

Acta Crystallographica Section C

1,993

49

9

1598

1602

10.1107/S0108270193002215

0.71073

MoKα

null

0.056

null

0.058

null

1.09

null

has coordinates

Bailey, J. A.; Catalano, V. J.; Gray, H. B. A monodentate 1,3-diphenyl-2-triazeno terpyridineplatinum(II) complex Acta Crystallographica Section C 49(9) (1993) 1598-1602

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$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/2/00/13/2001372.cif $ #-------------------------------------------------------------------...

2,001,373

12.639

0.004

16.931

0.006

9.458

0.003

90

null

90

null

90

null

2,023.9

1.2

295

null

25

null

5

P 21 21 21

P 2ac 2ab

19

chloro[(dimethylphenylphosphine)]gold(I)

- C8 H11 Au Cl P -

- C64 H88 Au8 Cl8 P8 -

8

2

AS1052

Cookson, P. D.; Tiekink, E. R. T.

Chloro(dimethylphenylphosphine)gold(I)

Acta Crystallographica Section C

1,993

49

9

1602

1603

10.1107/S0108270193002707

0.71073

MoKα

null

0.035

null

0.039

null

2.38

null

has coordinates

Cookson, P. D.; Tiekink, E. R. T. Chloro(dimethylphenylphosphine)gold(I) Acta Crystallographica Section C 49(9) (1993) 1602-1603

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/2/00/13/2001373.cif $ #-------------------------------------------------------------------...

7,205,641

13.8721

0.0011

12.9708

0.001

16.9195

0.0014

90

null

111.337

0.001

90

null

2,835.7

0.4

100

2

100

2

null

4

P 1 21/c 1

-P 2ybc

14

3,5 lutidinium pamoate DMF solvate

- C33 H32 N2 O7 -

- C132 H128 N8 O28 -

4

1

Wahl, Helene; Haynes, Delia A.; le Roex, Tanya

Solvate formation in lutidinium pamoate salts: a systematic study

CrystEngComm

2,011

13

7

2227

10.1039/c0ce00528b

0.71073

MoKα

0.0574

0.0438

null

0.1149

0.1254

null

1.041

null

has coordinates

Wahl, Helene; Haynes, Delia A.; le Roex, Tanya Solvate formation in lutidinium pamoate salts: a systematic study CrystEngComm 13(7) (2011) 2227

301,863

2025-08-22

13:07:26

#------------------------------------------------------------------------------ #$Date: 2025-08-22 15:50:14 +0300 (Fri, 22 Aug 2025) $ #$Revision: 301863 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/56/7205641.cif $ #-------------------------------------------------------------------...

2,001,374

8.9982

0.0006

9.1024

0.0007

16.774

0.0007

88.285

0.005

74.676

0.005

63.459

0.006

1,179.19

0.15

296

null

6

P 1

1

- C21 H27 Cl O4 P2 Pd -

- C21 H26.5 Cl O4 P2 Pd -

- C42 H53 Cl2 O8 P4 Pd2 -

2

HA1039

Manojlović-Muir, L.; Cross, R. J.; Hoyle, R. W.

Structure of (η^5^-cyclopentadienyl)bis(dimethylphenylphosphine)palladium(II) perchlorate

Acta Crystallographica Section C

1,993

49

9

1603

1606

10.1107/S0108270193002604

0.71069

MoKα

null

0.0238

null

0.0312

null

1.63

null

has coordinates

Manojlović-Muir, L.; Cross, R. J.; Hoyle, R. W. Structure of (η^5^-cyclopentadienyl)bis(dimethylphenylphosphine)palladium(II) perchlorate Acta Crystallographica Section C 49(9) (1993) 1603-1606

278,201

2022-09-27

0:27:37

#------------------------------------------------------------------------------ #$Date: 2022-09-27 03:27:33 +0300 (Tue, 27 Sep 2022) $ #$Revision: 278201 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/13/2001374.cif $ #-------------------------------------------------------------------...

2,001,375

18.98

0.03

13.24

0.02

30.18

0.05

90

null

90

null

90

null

7,584

2

294

null

5

P b c a

-P 2ac 2ab

null

- C26 H56 Cl6 O5 Ti2 -

- C208 H448 Cl48 O40 Ti16 -

8

1

AB1051

Iiskola, E.; Pelkonen, A.; Kakkonen, H. J.; Ahlgrén, M.; Pakkanen, T. A.; Pursiainen, J.

Structure of μ-oxo-bis[trichloro(2,2-diisobutyl-1,3-dimethoxypropane-O,O')titanium(IV)]

Acta Crystallographica Section C

1,993

49

9

1607

1609

10.1107/S0108270193002148

0.71073

MoKα

null

0.049

null

0.052

null

1.17

null

has coordinates

Iiskola, E.; Pelkonen, A.; Kakkonen, H. J.; Ahlgrén, M.; Pakkanen, T. A.; Pursiainen, J. Structure of μ-oxo-bis[trichloro(2,2-diisobutyl-1,3-dimethoxypropane-O,O')titanium(IV)] Acta Crystallographica Section C 49(9) (1993) 1607-1609

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/2/00/13/2001375.cif $ #-------------------------------------------------------------------...

2,001,376

9.888

0.004

13.827

0.003

13.307

0.006

90

null

107.31

0.04

90

null

1,737

1.2

294

null

5

P 1 21/n 1

-P 2yn

14

- C15 H25 Cl2 N2 Nb -

- C60 H100 Cl8 N8 Nb4 -

4

1

PA1029

Hubert-Pfalzgraf, L. G.; Zaki, A.; Toupet, L.

Niobium 1,4-diazabutadiene derivatives. Structure of (η^5^-Cp)NbCl~2~(^t^BuNCHCHN^t^Bu)

Acta Crystallographica Section C

1,993

49

9

1609

1611

10.1107/S0108270193004494

0.71073

MoKα

null

0.03

null

0.028

null

1.2

null

has coordinates

Hubert-Pfalzgraf, L. G.; Zaki, A.; Toupet, L. Niobium 1,4-diazabutadiene derivatives. Structure of (η^5^-Cp)NbCl~2~(^t^BuNCHCHN^t^Bu) Acta Crystallographica Section C 49(9) (1993) 1609-1611

278,324

2022-10-03

14:41:53

#------------------------------------------------------------------------------ #$Date: 2022-10-03 17:40:12 +0300 (Mon, 03 Oct 2022) $ #$Revision: 278324 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/13/2001376.cif $ #-------------------------------------------------------------------...

7,205,640

13.794

0.003

13.334

0.003

16.615

0.003

90

null

110.507

0.003

90

null

2,862.3

1

100

2

100

2

null

4

P 1 21/c 1

-P 2ybc

14

3,4 lutidinium pamoate DMF solvate

- C33 H32 N2 O7 -

- C132 H128 N8 O28 -

4

1

Wahl, Helene; Haynes, Delia A.; le Roex, Tanya

Solvate formation in lutidinium pamoate salts: a systematic study

CrystEngComm

2,011

13

7

2227

10.1039/c0ce00528b

0.71073

MoKα

0.0877

0.0525

null

0.135

0.1589

null

1.039

null

has coordinates,has disorder

Wahl, Helene; Haynes, Delia A.; le Roex, Tanya Solvate formation in lutidinium pamoate salts: a systematic study CrystEngComm 13(7) (2011) 2227

301,863

2025-08-22

13:07:26

#------------------------------------------------------------------------------ #$Date: 2025-08-22 15:50:14 +0300 (Fri, 22 Aug 2025) $ #$Revision: 301863 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/56/7205640.cif $ #-------------------------------------------------------------------...

2,001,377

7.139

0.001

7.907

0.001

20.199

0.002

90

null

93.09

0.01

90

null

1,138.5

0.2

173

null

6

P 1 21/c 1

-P 2ybc

14

- C16 H24 Cl4 Fe2 N2 O8 -

- C32 H48 Cl8 Fe4 N4 O16 -

2

0.5

VS1005

Sabirov, V. Kh.; Porai-Koshitz, M. A.; Struchkov, Yu. T.

Structure of the dimeric complex of iron(III) chloride with pyridoxine

Acta Crystallographica Section C

1,993

49

9

1611

1614

10.1107/S0108270193000691

0.71069

MoKα

null

0.0235

null

0.0257

null

0.93

null

has coordinates

Sabirov, V. Kh.; Porai-Koshitz, M. A.; Struchkov, Yu. T. Structure of the dimeric complex of iron(III) chloride with pyridoxine Acta Crystallographica Section C 49(9) (1993) 1611-1614

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/2/00/13/2001377.cif $ #-------------------------------------------------------------------...

2,001,378

9.222

0.008

22.62

0.01

18.138

0.006

90

null

91.74

0.05

90

null

3,782

4

298

null

6

P 1 21/n 1

-P 2yn

14

- C42 H40 F6 Fe Ir P3 -

- C168 H160 F24 Fe4 Ir4 P12 -

4

1

LI1043

Bedford, R. B.; Chaloner, P. A.; Hitchcock, P. B.

Structure of an iridium complex of 1,1'-bisdiphenylphosphinoferrocene

Acta Crystallographica Section C

1,993

49

9

1614

1616

10.1107/S0108270193002288

0.71073

MoKα

null

0.055

null

0.072

null

2

null

has coordinates

Bedford, R. B.; Chaloner, P. A.; Hitchcock, P. B. Structure of an iridium complex of 1,1'-bisdiphenylphosphinoferrocene Acta Crystallographica Section C 49(9) (1993) 1614-1616

278,324

2022-10-03

14:41:53

#------------------------------------------------------------------------------ #$Date: 2022-10-03 17:40:12 +0300 (Mon, 03 Oct 2022) $ #$Revision: 278324 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/13/2001378.cif $ #-------------------------------------------------------------------...

2,001,379

11.3947

0.0009

12.653

0.001

16.872

0.001

90.639

0.007

107.891

0.006

114.817

0.007

2,073.3

0.3

293

null

7

P -1

-P 1

2

- C40 H44 Cl2 Co Fe P2 Si2 -

- C80 H88 Cl4 Co2 Fe2 P4 Si4 -

2

1

HU1021

Ahmet, M. T.; Brown, R. A.; Roberts, R. M. G.; Miller, J. R.; Silver, J.; Houlton, A.

Ferrocenyl ligands. Part 4. Structure of [1,1'-bis(diphenylphosphino)-3,3'-bis(trimethylsilyl)ferrocene]dichlorocobalt

Acta Crystallographica Section C

1,993

49

9

1616

1619

10.1107/S0108270193001581

0.71069

MoKα

null

0.041

null

0.046

null

0.332

null

has coordinates

Ahmet, M. T.; Brown, R. A.; Roberts, R. M. G.; Miller, J. R.; Silver, J.; Houlton, A. Ferrocenyl ligands. Part 4. Structure of [1,1'-bis(diphenylphosphino)-3,3'-bis(trimethylsilyl)ferrocene]dichlorocobalt Acta Crystallographica Section C 49(9) (1993) 1616-1619

278,247

2022-09-28

15:09:31

#------------------------------------------------------------------------------ #$Date: 2022-09-28 18:08:17 +0300 (Wed, 28 Sep 2022) $ #$Revision: 278247 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/13/2001379.cif $ #-------------------------------------------------------------------...

2,001,380

7.628

0.002

19.526

0.004

13.12

0.003

90

null

97.45

0.02

90

null

1,937.7

0.8

197

null

296

null

5

P 1 21/c 1

-P 2ybc

14

bis(μ^3^-butenato)-bis(μ^2^-butenato)-octacarbonylbis( trimethylammine)tetraruthenium

- C30 H38 N2 O16 Ru4 -

- C36 H56 N2 O16 Ru4 -

- C72 H112 N4 O32 Ru8 -

2

0.5

ST1057

Reibenspies, J. H.; Fontal, B.; Darensbourg, D. J.

Structure of Ru~4~(CO)~8~(O~2~CCH~2~CH=CH~2~)~4~(NMe~3~)~2~

Acta Crystallographica Section C

1,993

49

9

1619

1621

10.1107/S0108270193002483

0.71073

MoKα

0.0779

0.0634

null

0.0784

0.0622

null

2.5814

null

has coordinates

Reibenspies, J. H.; Fontal, B.; Darensbourg, D. J. Structure of Ru~4~(CO)~8~(O~2~CCH~2~CH=CH~2~)~4~(NMe~3~)~2~ Acta Crystallographica Section C 49(9) (1993) 1619-1621

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/2/00/13/2001380.cif $ #-------------------------------------------------------------------...

7,205,639

13.9767

0.0012

12.6966

0.0011

16.7676

0.0015

90

null

108.773

0.001

90

null

2,817.2

0.4

100

2

100

2

null

4

P 1 21/c 1

-P 2ybc

14

2,4 lutidinium pamoate DMF solvate

- C33 H32 N2 O7 -

- C132 H128 N8 O28 -

4

1

Wahl, Helene; Haynes, Delia A.; le Roex, Tanya

Solvate formation in lutidinium pamoate salts: a systematic study

CrystEngComm

2,011

13

7

2227

10.1039/c0ce00528b

0.71073

MoKα

0.0713

0.0443

null

0.1127

0.1265

null

0.953

null

has coordinates,has disorder

Wahl, Helene; Haynes, Delia A.; le Roex, Tanya Solvate formation in lutidinium pamoate salts: a systematic study CrystEngComm 13(7) (2011) 2227

301,863

2025-08-22

13:07:26

#------------------------------------------------------------------------------ #$Date: 2025-08-22 15:50:14 +0300 (Fri, 22 Aug 2025) $ #$Revision: 301863 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/56/7205639.cif $ #-------------------------------------------------------------------...

2,001,381

20.088

0.009

13.895

0.004

17.751

0.012

90

null

105.07

0.04

90

null

4,784

4

296

1

null

6

C 1 2/c 1

-C 2yc

null

- C34 H62 Cu2 N4 S10 V2 -

- C42 H22 Cu2 N4 S10 V2 -

- C168 H88 Cu8 N16 S40 V8 -

4

0.5

AB1048

Yang, Y.; Liu, Q.

Structure of a V~2~Cu~2~S~4~ cubane-like cluster (Et~4~N)~2~[V~2~Cu~2~S~4~(S~2~CNMe~2~)~2~(SPh)~2~]

Acta Crystallographica Section C

1,993

49

9

1623

1625

10.1107/S0108270193002173

0.71069

MoKα

null

0.067

null

0.074

null

1.33

null

has coordinates

Yang, Y.; Liu, Q. Structure of a V~2~Cu~2~S~4~ cubane-like cluster (Et~4~N)~2~[V~2~Cu~2~S~4~(S~2~CNMe~2~)~2~(SPh)~2~] Acta Crystallographica Section C 49(9) (1993) 1623-1625

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/2/00/13/2001381.cif $ #-------------------------------------------------------------------...

2,001,382

7.851

0.002

15.851

0.003

26.854

0.003

90

null

90

null

90

null

3,341.9

1.1

293

null

6

P b c m

-P 2c 2b

null

μ-oxamidato-bis-[1,4,7-trimethyl-1,4,7-triazacyclononane copper(II)] (triiodide)(iodide)

- C20 H44 Cu2 I4 N8 O2 -

- C20 H42 Cu2 I4 N6 O4 -

- C80 H168 Cu8 I16 N24 O16 -

4

0.5

SH1044

Flörke, U.; Haupt, H.-J.; Karpenstein, I.; Chaudhuri, P.

Ring cleavage of imidazole to oxamide by reaction with dioxygen in the presence of a Cu^I^‒amine complex. Structure of μ-oxamidato-bis[(1,4,7-trimethyl-1,4,7-triazacyclononane)copper(II)] triiodide iodide

Acta Crystallographica Section C

1,993

49

9

1625

1627

10.1107/S0108270193002562

0.71073

MoKα

null

0.06

null

0.045

null

1.622

null

has coordinates

Flörke, U.; Haupt, H.-J.; Karpenstein, I.; Chaudhuri, P. Ring cleavage of imidazole to oxamide by reaction with dioxygen in the presence of a Cu^I^‒amine complex. Structure of μ-oxamidato-bis[(1,4,7-trimethyl-1,4,7-triazacyclononane)copper(II)] triiodide iodide Acta Crystallographica Section C 49(9) (1993) 1625-1627

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/2/00/13/2001382.cif $ #-------------------------------------------------------------------...

7,205,638

13.895

0.0007

11.6523

0.0006

21.2968

0.0011

90

null

102.131

0.001

90

null

3,371.1

0.3

100

2

100

2

null

4

C 1 2/c 1

-C 2yc

15

2,3 lutidine pamoate DMF solvate

- C40 H41 N3 O7 -

- C160 H164 N12 O28 -

4

0.5

Wahl, Helene; Haynes, Delia A.; le Roex, Tanya

Solvate formation in lutidinium pamoate salts: a systematic study

CrystEngComm

2,011

13

7

2227

10.1039/c0ce00528b

0.71073

MoKα

0.0529

0.0401

null

0.1024

0.1118

null

1.058

null

has coordinates,has disorder

Wahl, Helene; Haynes, Delia A.; le Roex, Tanya Solvate formation in lutidinium pamoate salts: a systematic study CrystEngComm 13(7) (2011) 2227

180,387

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-26 17:19:08 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180387 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/56/7205638.cif $ #-------------------------------------------------------------------...

2,001,383

11.325

0.002

12.964

0.003

10.038

0.002

104.81

0.02

96.64

0.01

87.23

0.02

1,415

0.5

293

null

5

P -1

-P 1

2

2-(2,2-Bisdiphenylphosphino)ethylthio)phenylamine

- C32 H29 N P2 S -

- C64 H58 N2 P4 S2 -

2

1

SE1019

Flörke, U.; Haupt, H.-J.

2-[2,2-Bis(diphenylphosphanyl)ethylsulfanyl]phenylamine (NSPP), a new hetero-bifunctional ligand and its PdCl~2~ complex

Acta Crystallographica Section C

1,993

49

9

1627

1629

10.1107/S0108270193003233

0.71073

MoKα

null

0.052

null

0.049

null

2.019

null

has coordinates

Flörke, U.; Haupt, H.-J. 2-[2,2-Bis(diphenylphosphanyl)ethylsulfanyl]phenylamine (NSPP), a new hetero-bifunctional ligand and its PdCl~2~ complex Acta Crystallographica Section C 49(9) (1993) 1627-1629

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$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/2/00/13/2001383.cif $ #-------------------------------------------------------------------...

2,001,384

18.299

0.004

10.832

0.003

18.452

0.003

90

0.01

117.02

0.01

90

0.01

3,258.2

1.3

293

null

7

P 1 21/n 1

-P 2yn

14

{2-[2,2-Bis(diphenylphosphino)ethylthio]phenylamine-P,P} dichloropalladium(II) Dichloromethane Solvate

- C33 H30 Cl3 N P2 Pd S -

- C33 H31 Cl3 N P2 Pd S -

- C132 H124 Cl12 N4 P8 Pd4 S4 -

4

1

SE1019

Flörke, U.; Haupt, H.-J.

2-[2,2-Bis(diphenylphosphanyl)ethylsulfanyl]phenylamine (NSPP), a new hetero-bifunctional ligand and its PdCl~2~ complex

Acta Crystallographica Section C

1,993

49

9

1627

1629

10.1107/S0108270193003233

0.71073

MoKα

null

0.043

null

0.048

null

1.838

null

has coordinates

Flörke, U.; Haupt, H.-J. 2-[2,2-Bis(diphenylphosphanyl)ethylsulfanyl]phenylamine (NSPP), a new hetero-bifunctional ligand and its PdCl~2~ complex Acta Crystallographica Section C 49(9) (1993) 1627-1629

278,324

2022-10-03

14:41:53

#------------------------------------------------------------------------------ #$Date: 2022-10-03 17:40:12 +0300 (Mon, 03 Oct 2022) $ #$Revision: 278324 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/13/2001384.cif $ #-------------------------------------------------------------------...

2,001,385

7.659

0.002

11.158

0.002

6.559

0.002

96.58

0.02

98.18

0.03

87.8

0.02

551

0.2

293

null

5

P -1

-P 1

2

(Methyl viologen) bis(cis-1,2-dicyanoethene-1,2-dithiolato)palladate(II)

(N,N'-dimethyl-4,4'-bipyridinium)bis(cis-1,2-dicyan0ethene-1,2-di thiolato)palladate(II)

- C20 H14 N6 Pd S4 -

1

0.5

SH1047

Lemke, M.; Knoch, F.; Kisch, H.

Structure of the ion-pair charge-transfer complex (methylviologen)^2+^[Pd(mnt)~2~]^2{‒^}

Acta Crystallographica Section C

1,993

49

9

1630

1632

10.1107/S0108270193003129

0.71073

MoKα

null

0.0253

null

0.0294

null

1.77

null

has coordinates

Lemke, M.; Knoch, F.; Kisch, H. Structure of the ion-pair charge-transfer complex (methylviologen)^2+^[Pd(mnt)~2~]^2{‒^} Acta Crystallographica Section C 49(9) (1993) 1630-1632

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/2/00/13/2001385.cif $ #-------------------------------------------------------------------...

2,001,386

12.519

0.002

14.286

0.001

14.607

0.002

90

null

90

null

90

null

2,612.4

0.6

294

null

4

P 21 21 21

P 2ac 2ab

19

- C31 H35 N3 O5 -

- C124 H140 N12 O20 -

4

1

AB1047

Pinkerton, A. A.; Carrupt, P.-A.; Claret, F.; Vogel, P.

The optical resolution of bicyclo[2.2.1]hept-5-ene-2-cyanohydrins using brucine – a crystallographic and molecular-mechanics study

Acta Crystallographica Section C

1,993

49

9

1632

1636

10.1107/S0108270193001180

0.71073

MoKα

null

0.036

null

0.043

null

1.189

null

has coordinates

Pinkerton, A. A.; Carrupt, P.-A.; Claret, F.; Vogel, P. The optical resolution of bicyclo[2.2.1]hept-5-ene-2-cyanohydrins using brucine – a crystallographic and molecular-mechanics study Acta Crystallographica Section C 49(9) (1993) 1632-1636

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$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/2/00/13/2001386.cif $ #-------------------------------------------------------------------...

7,205,637

13.82

0.008

12.922

0.008

17.143

0.01

90

null

112.83

0.008

90

null

2,822

3

100

2

100

2

null

4

P 1 21/c 1

-P 2ybc

14

2,5 lutidinium pamoate THF solvate

- C34 H33 N O7 -

- C34.03 H25 N O7.01 -

- C136.12 H100 N4 O28.04 -

4

1

Wahl, Helene; Haynes, Delia A.; le Roex, Tanya

Solvate formation in lutidinium pamoate salts: a systematic study

CrystEngComm

2,011

13

7

2227

10.1039/c0ce00528b

0.71073

MoKα

0.1676

0.1191

null

0.3655

0.4166

null

1.426

null

has coordinates,has disorder

Wahl, Helene; Haynes, Delia A.; le Roex, Tanya Solvate formation in lutidinium pamoate salts: a systematic study CrystEngComm 13(7) (2011) 2227

180,387

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-26 17:19:08 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180387 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/56/7205637.cif $ #-------------------------------------------------------------------...

2,001,387

12.378

0.002

14.088

0.002

14.582

0.003

90

null

90

null

90

null

2,542.8

0.8

294

null

4

P 21 21 21

P 2ac 2ab

19

- C30 H33 N3 O6 -

- C120 H132 N12 O24 -

4

1

AB1047

Pinkerton, A. A.; Carrupt, P.-A.; Claret, F.; Vogel, P.

The optical resolution of bicyclo[2.2.1]hept-5-ene-2-cyanohydrins using brucine – a crystallographic and molecular-mechanics study

Acta Crystallographica Section C

1,993

49

9

1632

1636

10.1107/S0108270193001180

0.71073

MoKα

null

0.036

null

0.043

null

1.195

null

has coordinates

Pinkerton, A. A.; Carrupt, P.-A.; Claret, F.; Vogel, P. The optical resolution of bicyclo[2.2.1]hept-5-ene-2-cyanohydrins using brucine – a crystallographic and molecular-mechanics study Acta Crystallographica Section C 49(9) (1993) 1632-1636

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$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/2/00/13/2001387.cif $ #-------------------------------------------------------------------...

2,001,388

10.359

0.005

10.861

0.005

9.947

0.004

91.89

0.03

99.97

0.04

89.65

0.04

1,101.6

0.9

293

null

5

P -1

-P 1

2

- C11 H15 N O S -

- C44 H60 N4 O4 S4 -

4

2

HA1036

Soriano-García, M.; Cortés C., E.; Cortés R., E.; Avila Z., J. G.; Domínguez T., A.

Structure of 2,7,7-trimethyl-5,6,7,8-tetrahydro-4H-furo[3,2-c]azepine-4-thione

Acta Crystallographica Section C

1,993

49

9

1637

1638

10.1107/S010827019300188X

1.5418

CuKα

null

0.065

null

0.088

null

1.06

null

has coordinates

Soriano-García, M.; Cortés C., E.; Cortés R., E.; Avila Z., J. G.; Domínguez T., A. Structure of 2,7,7-trimethyl-5,6,7,8-tetrahydro-4H-furo[3,2-c]azepine-4-thione Acta Crystallographica Section C 49(9) (1993) 1637-1638

278,247

2022-09-28

15:09:31

#------------------------------------------------------------------------------ #$Date: 2022-09-28 18:08:17 +0300 (Wed, 28 Sep 2022) $ #$Revision: 278247 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/13/2001388.cif $ #-------------------------------------------------------------------...

2,001,389

22.566

0.005

7.3

0.001

13.532

0.004

90

null

110.21

0.02

90

null

2,091.9

0.9

293

null

3

C 1 2/c 1

-C 2yc

null

- C32 H20 N2 -

- C128 H80 N8 -

4

0.5

HH1026

Ammon, H. L.; Reid, T. L.

Structure of a 2-arylquinoline dimer, a compound with a new ring system

Acta Crystallographica Section C

1,993

49

9

1638

1640

10.1107/S0108270193001374

1.5418

CuKα

null

0.044

null

0.061

null

1.63

null

has coordinates

Ammon, H. L.; Reid, T. L. Structure of a 2-arylquinoline dimer, a compound with a new ring system Acta Crystallographica Section C 49(9) (1993) 1638-1640

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$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/2/00/13/2001389.cif $ #-------------------------------------------------------------------...

2,001,390

13.484

0.003

22.325

0.003

6.987

0.001

90

null

90

null

90

null

2,103.3

0.6

293

null

4

P 21 21 2

P 2 2ab

null

- C10 H8 N2 O6 -

- C80 H64 N16 O48 -

8

2

CR1046

Ammon, H. L.; Bashir-Hashemi, A.

Structure of 2-methoxycarbonyl-1,4-dinitrocubane

Acta Crystallographica Section C

1,993

49

9

1641

1643

10.1107/S0108270193001489

1.5418

CuKα

null

0.05

null

0.066

null

1.5

null

has coordinates

Ammon, H. L.; Bashir-Hashemi, A. Structure of 2-methoxycarbonyl-1,4-dinitrocubane Acta Crystallographica Section C 49(9) (1993) 1641-1643

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/2/00/13/2001390.cif $ #-------------------------------------------------------------------...

7,205,636

12.4369

0.0016

12.8417

0.0016

13.2691

0.0017

99.98

0.002

105.142

0.002

111.649

0.002

1,813.4

0.4

298

2

298

2

null

6

P -1

-P 1

2

- C20 H34 Cu Mo4 N12 O14 -

- C40 H68 Cu2 Mo8 N24 O28 -

2

1

Du, Xiao-Di; Li, Cheng-Hui; Zhang, Yuan; Liu, Sheng; Ma, Yue; You, Xiao-Zeng

Coordination polymers based on the octamolybdate and flexible bis(triazole) ligands with different spacer lengths

CrystEngComm

2,011

13

7

2350

10.1039/c0ce00517g

0.71073

MoKα

0.0599

0.0506

null

0.1228

0.1275

null

1.06

null

has coordinates,has disorder

Du, Xiao-Di; Li, Cheng-Hui; Zhang, Yuan; Liu, Sheng; Ma, Yue; You, Xiao-Zeng Coordination polymers based on the octamolybdate and flexible bis(triazole) ligands with different spacer lengths CrystEngComm 13(7) (2011) 2350

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/7/20/56/7205636.cif $ #-------------------------------------------------------------------...

2,001,391

16.45

0.002

9.781

0.002

17.818

0.002

90

null

110.78

0.01

90

null

2,680.4

0.7

293

null

5

C 1 c 1

C -2yc

null

- C24 H27 N4 O7 P3 -

- C26 H39 N4 O7 P3 -

- C104 H156 N16 O28 P12 -

4

1

SH1027

Engelhardt, U.; Stromburg, B.

Phosphor(V)-Hydrazin-Sauerstoff-Achtring mit Boot-Sessel-Konformation

Acta Crystallographica Section C

1,993

49

9

1643

1646

10.1107/S0108270193001271

0.71069

MoKα

null

0.044

null

0.023

null

1.58

null

has coordinates

Engelhardt, U.; Stromburg, B. Phosphor(V)-Hydrazin-Sauerstoff-Achtring mit Boot-Sessel-Konformation Acta Crystallographica Section C 49(9) (1993) 1643-1646

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/2/00/13/2001391.cif $ #-------------------------------------------------------------------...

2,001,392

15.158

0.004

8.435

0.002

7.277

0.001

90

null

103.52

0.01

90

null

904.6

0.3

138

2

null

4

P 1 21/a 1

-P 2yab

null

- C9 H13 N O3 -

- C36 H52 N4 O12 -

4

1

CD1028

Xiao, G.; van der Helm, D.; Goerlitz, F. H.; Hider, R. C.; Dobbin, P. S.

Structures of 3-hydroxy-1-(2-methoxyethyl)-2-methyl-4-pyridinone, its hydrochloride and 1-ethyl-3-hydroxy-2-methyl-4-pyridinone hydrochloride hydrate

Acta Crystallographica Section C

1,993

49

9

1646

1649

10.1107/S0108270193001313

1.54178

CuKα

null

0.036

null

0.047

null

1.8

null

has coordinates

Xiao, G.; van der Helm, D.; Goerlitz, F. H.; Hider, R. C.; Dobbin, P. S. Structures of 3-hydroxy-1-(2-methoxyethyl)-2-methyl-4-pyridinone, its hydrochloride and 1-ethyl-3-hydroxy-2-methyl-4-pyridinone hydrochloride hydrate Acta Crystallographica Section C 49(9) (1993) 1646-1649

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$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/2/00/13/2001392.cif $ #-------------------------------------------------------------------...

2,001,393

11.865

0.003

12.174

0.004

7.127

0.002

90

null

90

null

90

null

1,029.5

0.5

138

2

null

5

P 21 21 21

P 2ac 2ab

null

- C9 H14 Cl N O3 -

- C36 H56 Cl4 N4 O12 -

4

1

CD1028

Xiao, G.; van der Helm, D.; Goerlitz, F. H.; Hider, R. C.; Dobbin, P. S.

Structures of 3-hydroxy-1-(2-methoxyethyl)-2-methyl-4-pyridinone, its hydrochloride and 1-ethyl-3-hydroxy-2-methyl-4-pyridinone hydrochloride hydrate

Acta Crystallographica Section C

1,993

49

9

1646

1649

10.1107/S0108270193001313

0.71073

MoKα

null

0.033

null

0.039

null

1.41

null

has coordinates

Xiao, G.; van der Helm, D.; Goerlitz, F. H.; Hider, R. C.; Dobbin, P. S. Structures of 3-hydroxy-1-(2-methoxyethyl)-2-methyl-4-pyridinone, its hydrochloride and 1-ethyl-3-hydroxy-2-methyl-4-pyridinone hydrochloride hydrate Acta Crystallographica Section C 49(9) (1993) 1646-1649

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$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/2/00/13/2001393.cif $ #-------------------------------------------------------------------...

7,205,635

10.697

0.0011

14.3444

0.0015

17.8853

0.0019

90

null

91.635

0.002

90

null

2,743.2

0.5

298

2

298

2

null

6

P 1 21/n 1

-P 2yn

14

- C24 H46 Cu2 Mo8 N18 O31 -

- C48 H92 Cu4 Mo16 N36 O62 -

2

0.5

Du, Xiao-Di; Li, Cheng-Hui; Zhang, Yuan; Liu, Sheng; Ma, Yue; You, Xiao-Zeng

Coordination polymers based on the octamolybdate and flexible bis(triazole) ligands with different spacer lengths

CrystEngComm

2,011

13

7

2350

10.1039/c0ce00517g

0.71073

MoKα

0.054

0.0395

null

0.0898

0.0951

null

1.008

null

has coordinates

Du, Xiao-Di; Li, Cheng-Hui; Zhang, Yuan; Liu, Sheng; Ma, Yue; You, Xiao-Zeng Coordination polymers based on the octamolybdate and flexible bis(triazole) ligands with different spacer lengths CrystEngComm 13(7) (2011) 2350

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/7/20/56/7205635.cif $ #-------------------------------------------------------------------...

2,001,394

6.6361

0.0004

17.115

0.001

9.1024

0.0005

90

null

98.473

0.005

90

null

1,022.54

0.1

138

2

null

5

P 1 21/c 1

-P 2ybc

14

- C8 H14 Cl N O3 -

- C32 H56 Cl4 N4 O12 -

4

1

CD1028

Xiao, G.; van der Helm, D.; Goerlitz, F. H.; Hider, R. C.; Dobbin, P. S.

Structures of 3-hydroxy-1-(2-methoxyethyl)-2-methyl-4-pyridinone, its hydrochloride and 1-ethyl-3-hydroxy-2-methyl-4-pyridinone hydrochloride hydrate

Acta Crystallographica Section C

1,993

49

9

1646

1649

10.1107/S0108270193001313

1.54178

CuKα

null

0.035

null

0.047

null

1.77

null

has coordinates

Xiao, G.; van der Helm, D.; Goerlitz, F. H.; Hider, R. C.; Dobbin, P. S. Structures of 3-hydroxy-1-(2-methoxyethyl)-2-methyl-4-pyridinone, its hydrochloride and 1-ethyl-3-hydroxy-2-methyl-4-pyridinone hydrochloride hydrate Acta Crystallographica Section C 49(9) (1993) 1646-1649

301,791

2025-08-18

23:15:00

#------------------------------------------------------------------------------ #$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/2/00/13/2001394.cif $ #-------------------------------------------------------------------...

2,001,395

11.268

0.002

11.996

0.001

12.297

0.001

90

null

102.204

0.009

90

null

1,624.6

0.3

296

1

null

4

P 1 21 1

P 2yb

4

- C28 H33 N5 O12 -

- C28 N5 O12 -

- C56 N10 O24 -

2

1

HU1028

Beddoes, R. L.; Russell, J. R.; Garner, C. D.; Joule, J. A.

Structure of a 6-tetrahydroxybutyl-substituted 5,6,7,8-tetrahydropteridine

Acta Crystallographica Section C

1,993

49

9

1649

1652

10.1107/S0108270193001593

1.54178

CuKα

null

0.058

null

0.071

null

2.48

null

has coordinates

Beddoes, R. L.; Russell, J. R.; Garner, C. D.; Joule, J. A. Structure of a 6-tetrahydroxybutyl-substituted 5,6,7,8-tetrahydropteridine Acta Crystallographica Section C 49(9) (1993) 1649-1652

205,898

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2018-01-30 16:30:45 +0200 (Tue, 30 Jan 2018) $ #$Revision: 205898 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/13/2001395.cif $ #-------------------------------------------------------------------...