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

1,500,014

12.1033

0.0005

18.1364

0.0007

14.2061

0.0005

90

null

102.712

0.001

90

null

3,041.9

0.2

100

2

100

2

null

6

P 1 21/c 1

-P 2ybc

14

- C26 H26 Cl2 Cu N10 O9 -

- C104 H104 Cl8 Cu4 N40 O36 -

4

1

Carmen R. Maldonado; Miguel Quirós; Juan M. Salas

Copper(II) complexes with 1,2,4-triazolo[1,5-a]pyrimidine and its 5,7-dimethyl derivative

Polyhedron

2,008

27

2779

2784

10.1016/j.poly.2008.06.001

0.71073

MoKα

0.0306

0.0284

null

0.0767

0.0781

null

1.012

null

has coordinates

Carmen R. Maldonado; Miguel Quirós; Juan M. Salas Copper(II) complexes with 1,2,4-triazolo[1,5-a]pyrimidine and its 5,7-dimethyl derivative Polyhedron 27 (2008) 2779-2784

301,775

2025-08-18

14:01:15

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1,500,015

14.8687

0.0009

7.347

0.0005

18.2668

0.0011

90

null

95.563

0.001

90

null

1,986.1

0.2

298

2

298

2

null

5

P 1 2/n 1

-P 2yac

13

- C17 H14 Cu N8 O7 -

- C68 H56 Cu4 N32 O28 -

4

1

Carmen R. Maldonado; Miguel Quirós; Juan M. Salas

Copper(II) complexes with 1,2,4-triazolo[1,5-a]pyrimidine and its 5,7-dimethyl derivative

Polyhedron

2,008

27

2779

2784

10.1016/j.poly.2008.06.001

0.71073

MoKα

0.0507

0.0451

null

0.1332

0.1388

null

1.024

null

has coordinates

Carmen R. Maldonado; Miguel Quirós; Juan M. Salas Copper(II) complexes with 1,2,4-triazolo[1,5-a]pyrimidine and its 5,7-dimethyl derivative Polyhedron 27 (2008) 2779-2784

176,729

2020-10-21

18:00:00

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7,015,084

11.903

0.004

37.646

0.012

12.111

0.004

90

null

99.927

0.006

90

null

5,346

3

300

2

300

2

null

7

P 1 21/n 1

-P 2yn

14

- C41 H47 F18 N10 O3 P3 Ru2 -

- C41 H45 F18 N10 O2 P3 Ru2 -

- C164 H180 F72 N40 O8 P12 Ru8 -

4

1

Mola, Joaquim; Dinoi, Chiara; Sala, Xavier; Rodríguez, Montserrat; Romero, Isabel; Parella, Teodor; Fontrodona, Xavier; Llobet, Antoni

A new dinuclear Ru-Hbpp based water oxidation catalyst with a trans-disposition of the Ru-OH.

Dalton transactions (Cambridge, England : 2003)

2,011

40

14

3640

3646

10.1039/c0dt00964d

0.71073

MoKα

0.2088

0.1197

null

0.3414

0.3827

null

1.049

null

has coordinates

Mola, Joaquim; Dinoi, Chiara; Sala, Xavier; Rodríguez, Montserrat; Romero, Isabel; Parella, Teodor; Fontrodona, Xavier; Llobet, Antoni A new dinuclear Ru-Hbpp based water oxidation catalyst with a trans-disposition of the Ru-OH. Dalton transactions (Cambridge, England : 2003) 40(14) (2011) 3640-3646

179,854

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-25 13:37:44 +0200 (Fri, 25 Mar 2016) $ #$Revision: 179854 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/50/7015084.cif $ #-------------------------------------------------------------------...

1,500,016

13.3507

0.0008

14.2757

0.0009

13.053

0.0008

90

null

114.735

0.001

90

null

2,259.5

0.2

298

2

298

2

null

6

P 1 21/c 1

-P 2ybc

14

- C12 H20 Cl2 Cu N10 O10 -

- C48 H80 Cl8 Cu4 N40 O40 -

4

1

Carmen R. Maldonado; Miguel Quirós; Juan M. Salas

Copper(II) complexes with 1,2,4-triazolo[1,5-a]pyrimidine and its 5,7-dimethyl derivative

Polyhedron

2,008

27

2779

2784

10.1016/j.poly.2008.06.001

0.71073

MoKα

0.0619

0.0526

null

0.1446

0.1518

null

1.08

null

has coordinates

Carmen R. Maldonado; Miguel Quirós; Juan M. Salas Copper(II) complexes with 1,2,4-triazolo[1,5-a]pyrimidine and its 5,7-dimethyl derivative Polyhedron 27 (2008) 2779-2784

301,775

2025-08-18

14:01:15

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1,500,017

14.2694

0.0006

8.768

0.0004

23.9159

0.001

90

null

117.222

0.001

90

null

2,660.8

0.2

100

2

100

2

null

6

P 1 21/c 1

-P 2ybc

14

- C16 H28 Cl2 Cu N10 O10 -

- C64 H112 Cl8 Cu4 N40 O40 -

4

1

Carmen R. Maldonado; Miguel Quirós; Juan M. Salas

Copper(II) complexes with 1,2,4-triazolo[1,5-a]pyrimidine and its 5,7-dimethyl derivative

Polyhedron

2,008

27

2779

2784

10.1016/j.poly.2008.06.001

0.71073

MoKα

0.0511

0.0484

null

0.138

0.1403

null

1.085

null

has coordinates

Carmen R. Maldonado; Miguel Quirós; Juan M. Salas Copper(II) complexes with 1,2,4-triazolo[1,5-a]pyrimidine and its 5,7-dimethyl derivative Polyhedron 27 (2008) 2779-2784

301,775

2025-08-18

14:01:15

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1,500,018

13.2076

0.0007

22.2625

0.001

14.1257

0.0007

90

null

102.797

0.001

90

null

4,050.3

0.3

100

2

100

2

null

6

P 1 21/c 1

-P 2ybc

14

- C25 H29 Cl3 Cu2 N20 O17 -

- C100 H116 Cl12 Cu8 N80 O68 -

4

1

Carmen R. Maldonado; Miguel Quirós; Juan M. Salas

Copper(II) complexes with 1,2,4-triazolo[1,5-a]pyrimidine and its 5,7-dimethyl derivative

Polyhedron

2,008

27

2779

2784

10.1016/j.poly.2008.06.001

0.71073

MoKα

0.0693

0.0604

null

0.1558

0.1626

null

1.055

null

has coordinates

Carmen R. Maldonado; Miguel Quirós; Juan M. Salas Copper(II) complexes with 1,2,4-triazolo[1,5-a]pyrimidine and its 5,7-dimethyl derivative Polyhedron 27 (2008) 2779-2784

301,775

2025-08-18

14:01:15

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1,500,019

9.4668

0.0007

8.8177

0.0006

25.9413

0.0018

90

null

90

null

90

null

2,165.5

0.3

298

2

298

2

null

4

P b c a

-P 2ac 2ab

61

- C13 H11 N O2 -

- C104 H88 N8 O16 -

8

1

Maria Lalia Kantouri; Christos D. Papadopoulos; Antonios G. Hatzdimitriou; Miguel Quirós

Synthesis and characterization of new Co(III) mixed-ligand complexes, containing 2-hydroxy-aryloximes and α-diimines. Crystal and molecular strucutre of [Co(saox)(bipy)~2~]Br

Polyhedron

2,007

26

1292

1302

10.1016/j.poly.2006.10.047

0.71073

MoKα

0.0584

0.0467

null

0.1264

0.1347

null

1.033

null

has coordinates

Maria Lalia Kantouri; Christos D. Papadopoulos; Antonios G. Hatzdimitriou; Miguel Quirós Synthesis and characterization of new Co(III) mixed-ligand complexes, containing 2-hydroxy-aryloximes and α-diimines. Crystal and molecular strucutre of [Co(saox)(bipy)~2~]Br Polyhedron 26 (2007) 1292-1302

301,775

2025-08-18

14:01:15

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1,500,020

13.1234

0.0006

18.0169

0.0009

18.6161

0.0009

102.806

0.001

102.335

0.001

107.799

0.001

3,894.5

0.3

298

2

298

2

null

7

P -1

-P 1

2

- C68 H76 F12 N4 O16 Ru4 S4 -

- C68 H72 F12 N4 O16 Ru4 S4 -

- C136 H144 F24 N8 O32 Ru8 S8 -

2

1

Miguel A. Galindo; Miguel Quirós; M. Angustias Romero; Jorge A.R. Navarro

Cyclic tetranuclear half-sandwich ruthenium(II) complexes with 4,7-phenanthroline and hydroxo bridges: Crystal structure, solution behaviour and binding to nucleosides

Journal of Inorganic Biochemistry

2,008

102

1025

1032

10.1016/j.jinorgbio.2007.11.009

0.71073

MoKα

0.1083

0.0833

null

0.2636

0.2882

null

1.072

null

has coordinates

Miguel A. Galindo; Miguel Quirós; M. Angustias Romero; Jorge A.R. Navarro Cyclic tetranuclear half-sandwich ruthenium(II) complexes with 4,7-phenanthroline and hydroxo bridges: Crystal structure, solution behaviour and binding to nucleosides Journal of Inorganic Biochemistry 102 (2008) 1025-1032

176,729

2020-10-21

18:00:00

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7,015,083

9.4696

0.0002

11.5952

0.0002

9.5469

0.0002

90

null

119.389

0.001

90

null

913.36

0.03

293

null

293

null

5

P 1 c 1

P -2yc

7

- C19 H20 Au Cl N2 -

- C38 H40 Au2 Cl2 N4 -

2

1

Bouhrara, Mohamed; Jeanneau, Erwan; Veyre, Laurent; Copéret, Christophe; Thieuleux, Chloé

Dissymmetric gold(I) N-heterocyclic carbene complexes: a key unexpected structural parameter for highly efficient catalysts in the addition of alcohols to internal alkynes.

Dalton transactions (Cambridge, England : 2003)

2,011

40

12

2995

2999

10.1039/c0dt00932f

0.71069

MoKα

0.0225

0.022

null

0.0571

0.0567

0.0571

null

1.2724

null

has coordinates

Bouhrara, Mohamed; Jeanneau, Erwan; Veyre, Laurent; Copéret, Christophe; Thieuleux, Chloé Dissymmetric gold(I) N-heterocyclic carbene complexes: a key unexpected structural parameter for highly efficient catalysts in the addition of alcohols to internal alkynes. Dalton transactions (Cambridge, England : 2003) 40(12) (2...

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/7/01/50/7015083.cif $ #-------------------------------------------------------------------...

1,500,021

32.9293

0.0014

20.2105

0.0009

22.498

0.0009

90

null

105.708

0.001

90

null

14,413.6

1.1

298

2

298

2

null

5

C 1 2/c 1

-C 2yc

15

- C64 H84 N8 O20 Ru4 -

- C64 H72 N8 O20 Ru4 -

- C512 H576 N64 O160 Ru32 -

8

1

Miguel A. Galindo; Miguel Quirós; M. Angustias Romero; Jorge A.R. Navarro

Cyclic tetranuclear half-sandwich ruthenium(II) complexes with 4,7-phenanthroline and hydroxo bridges: Crystal structure, solution behaviour and binding to nucleosides

Journal of Inorganic Biochemistry

2,008

102

1025

1032

10.1016/j.jinorgbio.2007.11.009

0.71073

MoKα

0.0881

0.0675

null

0.234

0.2589

null

1.069

null

has coordinates

Miguel A. Galindo; Miguel Quirós; M. Angustias Romero; Jorge A.R. Navarro Cyclic tetranuclear half-sandwich ruthenium(II) complexes with 4,7-phenanthroline and hydroxo bridges: Crystal structure, solution behaviour and binding to nucleosides Journal of Inorganic Biochemistry 102 (2008) 1025-1032

176,729

2020-10-21

18:00:00

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1,500,022

17.7483

0.001

36.829

0.002

17.3196

0.001

90

null

90

null

90

null

11,320.9

1.1

100

2

100

2

null

6

P n m a

-P 2ac 2n

62

- C28.81 H26.43 Br Co N5.33 O3.9 -

- C28.815 H26.432 Br Co N5.333 O3.9 -

- C461.04 H422.912 Br16 Co16 N85.328 O62.4 -

16

2

Maria Lalia-Kantouri; Christos D. Papadopoulos; Antonios G. Hatzidimitriou; Miguel Quirós

Synthesis and characterization of new Co(III) mixed-ligand complexes, containing 2-hydroxy-aryloximes and α-diimines. Crystal and molecular strucutre of [Co(saox)(bipy)~2~]Br

Polyhedron

2,007

26

1292

1302

10.1016/j.poly.2006.10.047

0.71073

MoKα

0.0406

0.0306

null

0.087

0.0728

null

1.0498

null

has coordinates

Maria Lalia-Kantouri; Christos D. Papadopoulos; Antonios G. Hatzidimitriou; Miguel Quirós Synthesis and characterization of new Co(III) mixed-ligand complexes, containing 2-hydroxy-aryloximes and α-diimines. Crystal and molecular strucutre of [Co(saox)(bipy)~2~]Br Polyhedron 26 (2007) 1292-1302

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/1/50/00/1500022.cif $ #-------------------------------------------------------------------...

1,500,023

36.332

0.002

9.1289

0.0005

19.2431

0.0011

90

null

103.487

0.001

90

null

6,206.4

0.6

298

2

298

2

null

5

C 1 2/c 1

-C 2yc

15

- C28 H41 Co N4 O8 -

- C224 H328 Co8 N32 O64 -

8

1

Rajni Sharma; Raj Pal Sharma; Ritu Bala; Miguel Quirós; Juan M. Salas

First X-ray structure of a cis-isomer of cobalt(III) aromatic carboxylate: Synthesis, and characterization of [cis-Co(en)~2~(C~8~H~7~O~2~)~2~](C~8~H~7~O~2~).2H~2~O, where C~8~H~7~O~2~ = p-methylbenzoate

Inorganic Chemistry Communications

2,006

9

1075

1078

10.1016/j.inoche.2006.07.002

0.71073

MoKα

0.0628

0.0497

null

0.1321

0.1412

null

1.045

null

has coordinates

Rajni Sharma; Raj Pal Sharma; Ritu Bala; Miguel Quirós; Juan M. Salas First X-ray structure of a cis-isomer of cobalt(III) aromatic carboxylate: Synthesis, and characterization of [cis-Co(en)~2~(C~8~H~7~O~2~)~2~](C~8~H~7~O~2~).2H~2~O, where C~8~H~7~O~2~ = p-methylbenzoate Inorganic Chemistry Communications 9 (2006) 107...

176,729

2020-10-21

18:00:00

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7,015,082

9.8037

0.0006

12.917

0.0007

13.5314

0.0007

87.233

0.004

79.209

0.005

70.022

0.005

1,581.72

0.16

294

2

294

2

null

5

P -1

-P 1

2

- C32 H28 Ag2 N8 O7 -

- C64 H56 Ag4 N16 O14 -

2

1

Fang, Shao-Ming; Hu, Min; Zhang, Qiang; Du, Miao; Liu, Chun-Sen

Ag(I) and Zn(II) coordination polymers with a bulky naphthalene-based dicarboxyl tecton and different 4,4'-bipyridyl-like bridging co-ligands: structural regulation and properties.

Dalton transactions (Cambridge, England : 2003)

2,011

40

17

4527

4541

10.1039/c0dt00903b

0.71073

MoKα

0.0672

0.0324

null

0.0373

0.0386

null

1.07

null

has coordinates

Fang, Shao-Ming; Hu, Min; Zhang, Qiang; Du, Miao; Liu, Chun-Sen Ag(I) and Zn(II) coordination polymers with a bulky naphthalene-based dicarboxyl tecton and different 4,4'-bipyridyl-like bridging co-ligands: structural regulation and properties. Dalton transactions (Cambridge, England : 2003) 40(17) (2011) 4527-4541

179,854

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-25 13:37:44 +0200 (Fri, 25 Mar 2016) $ #$Revision: 179854 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/50/7015082.cif $ #-------------------------------------------------------------------...

2,000,000

8.243

0.002

10.368

0.003

11.497

0.003

111.64

0.01

107.94

0.01

93.45

0.01

851.974

null

5

P -1

-P 1

2

- C16 H44 Co Nd2 O26 -

1

0.5

PA0193

A. Gonzalez; A. Beltran; A. le Bail

Structure of the decahydrated octaacetate of dineodymium(III) and cobalt(II)

Acta Crystallographica Section C

1,991

47

1624

1627

10.1107/S0108270191002184

null

0.024

null

0.024

null

has coordinates

A. Gonzalez; A. Beltran; A. le Bail Structure of the decahydrated octaacetate of dineodymium(III) and cobalt(II) Acta Crystallographica Section C 47 (1991) 1624-1627

277,834

2022-09-14

16:39:42

#------------------------------------------------------------------------------ #$Date: 2022-09-14 19:38:48 +0300 (Wed, 14 Sep 2022) $ #$Revision: 277834 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/00/2000000.cif $ #-------------------------------------------------------------------...

2,000,001

6.1203

0.0002

13.7779

0.0008

13.4435

0.0007

90

null

99.229

0.003

90

null

1,118.95

null

5

P 1 21/c 1

-P 2ybc

14

- C4 H6 Cl4 N2 Zr -

- C16 H24 Cl16 N8 Zr4 -

4

1

Guery, J.; Leblanc, M.; Jacoboni, C.

ZrCl~4~ behavior in acetonitrile. Crystal structure of ZrCl~4~, 2CH~3~CN

European Journal of Solid State and Inorganic Chemistry

1,989

26

3

289

297

null

0.032

null

0.032

null

has coordinates

Guery, J.; Leblanc, M.; Jacoboni, C. ZrCl~4~ behavior in acetonitrile. Crystal structure of ZrCl~4~, 2CH~3~CN European Journal of Solid State and Inorganic Chemistry 26(3) (1989) 289-297

182,180

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-04-17 07:01:57 +0300 (Sun, 17 Apr 2016) $ #$Revision: 182180 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/00/2000001.cif $ #-------------------------------------------------------------------...

2,000,002

7.295

0.003

14.926

0.008

15.16

0.006

90

null

90

null

90

null

1,650.7

null

3

P 21 21 21

P 2ac 2ab

19

(-)-(6'R)-3',6'-Epoxyaurapten

- C19 H22 O4 -

- C76 H88 O16 -

4

1

Leblanc, M.; Ferey, G.; Rouessac, F.; Aziz, M.

Structure of (-)-(6'R)-3',6'-epoxyaurapten

Acta Crystallographica, Section C: Crystal Structure Communications

1,988

44

7

1262

1264

10.1107/S0108270188003403

null

0.035

null

0.035

null

has coordinates

Leblanc, M.; Ferey, G.; Rouessac, F.; Aziz, M. Structure of (-)-(6'R)-3',6'-epoxyaurapten Acta Crystallographica, Section C: Crystal Structure Communications 44(7) (1988) 1262-1264

301,791

2025-08-18

23:14:58

#------------------------------------------------------------------------------ #$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/2/00/00/2000002.cif $ #-------------------------------------------------------------------...

2,000,003

6.263

0.002

7.965

0.002

26.51

0.01

90

null

90

null

90

null

1,322.45

null

4

P 21 21 21

P 2ac 2ab

19

- C15 H18 O S -

- C60 H72 O4 S4 -

4

1

Maignan, C.; Leblanc, M.

Room-temperature structure of α–β ethylenic sulfoxide C~15~H~18~OS: (-)-4,5-dimethyl-1-p-tolylsulfinyl-1,4-cyclohexadiene

Acta Crystallographica, Section C: Crystal Structure Communications

1,990

46

5

915

917

10.1107/s0108270189013132

null

0.048

null

0.048

null

has coordinates

Maignan, C.; Leblanc, M. Room-temperature structure of α–β ethylenic sulfoxide C~15~H~18~OS: (-)-4,5-dimethyl-1-p-tolylsulfinyl-1,4-cyclohexadiene Acta Crystallographica, Section C: Crystal Structure Communications 46(5) (1990) 915-917

301,791

2025-08-18

23:14:58

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2,000,004

7.729

0.001

7.18

0.001

16.206

0.003

90

null

100.24

0.01

90

null

885.014

null

3

P 1 21 1

P 2yb

4

- C21 H24 O3 -

- C42 H48 O6 -

2

1

Bieber, L. W.; Leblanc, M.

Room-temperature structure of cordiaquinone B

Acta Crystallographica, Section C: Crystal Structure Communications

1,990

46

5

911

913

10.1107/s0108270189012023

null

0.038

null

0.038

null

has coordinates

Bieber, L. W.; Leblanc, M. Room-temperature structure of cordiaquinone B Acta Crystallographica, Section C: Crystal Structure Communications 46(5) (1990) 911-913

301,791

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2,000,005

7.15

0.002

10.284

0.002

27.726

0.002

90

null

90

null

90

null

2,038.71

null

4

P 21 21 21

P 2ac 2ab

19

- C19 H32 O5 S -

- C76 H128 O20 S4 -

4

1

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

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

Acta Crystallographica, Section C: Crystal Structure Communications

1,998

54

12

1986

1987

10.1107/s0108270198008804

null

0.0392

null

0.0392

null

has coordinates

Yonezawa, S.; Leblanc, M.; Guesdon, A.; Alexandre, C. 1-(5-Methanesulfinyl-2,2,6-trimethyl-3a,3b,4,5,6,8a-hexahydro-1,3,8-trioxacyclopenta[a]inden-5-yl)hexan-1-ol Acta Crystallographica, Section C: Crystal Structure Communications 54(12) (1998) 1986-1987

301,791

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2,000,006

9.26

0.005

12.39

0.006

13.729

0.007

99.43

0.03

92.56

0.03

108.21

0.03

1,468.3

null

6

P -1

-P 1

2

- C33 H24 Mo N3 O4 P -

- C66 H48 Mo2 N6 O8 P2 -

2

1

Fourquet, J. L.; Leblanc, M.; Saravanamuthu, A.; Bruce, M. R. M.; Bruce, A. E.

Reactions of molybdenum(0) tricarbonyl complexes with 8-azidoquinoline. Crystal structure of the phosphinimine complex Mo(CO)~4~[N(PPh~3~)(C~9~H~6~N)] and evidence for a bent nitrene

Inorganic Chemistry

1,991

30

17

3241

3243

10.1021/ic00017a002

null

0.0265

null

0.0265

null

has coordinates

Fourquet, J. L.; Leblanc, M.; Saravanamuthu, A.; Bruce, M. R. M.; Bruce, A. E. Reactions of molybdenum(0) tricarbonyl complexes with 8-azidoquinoline. Crystal structure of the phosphinimine complex Mo(CO)~4~[N(PPh~3~)(C~9~H~6~N)] and evidence for a bent nitrene Inorganic Chemistry 30(17) (1991) 3241-3243

199,648

2020-10-21

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2,000,007

7.257

0.003

14.474

0.006

19.88

0.01

90

null

103.38

0.04

90

null

2,031.5

1.6

null

250

1

null

3

P 1 21/c 1

-P 2ybc

14

(±)-Methyltrachelogenin

3,4-Bis[(3,4-dimethoxyphenyl)methyl]-3-hydoxydihydro-2(3H)-furanone

- C22 H26 O7 -

- C88 H104 O28 -

4

1

PA0040

K. Khamlach; R. Dhal; E. Brown; M. Leblanc; G. Ferey

Room-temperature structure of (±)-methyltrachelogenin

Acta Crystallogr.,Sect.C:Cryst.Struct.Commun.

1,989

45

1746

1748

10.1107/S0108270189004403

null

0.051

null

0.051

null

has coordinates

K. Khamlach; R. Dhal; E. Brown; M. Leblanc; G. Ferey Room-temperature structure of (±)-methyltrachelogenin Acta Crystallogr.,Sect.C:Cryst.Struct.Commun. 45 (1989) 1746-1748

301,791

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2,000,008

8.2513

0.0008

10.5006

0.0013

9.309

0.0008

90

null

102.849

0.011

90

null

786.369

null

4

P 1 21 1

P 2yb

4

(-)-(SS)-alpha-Phenyl-2-(p-Tolylsulfinyl)-3-furanmethanol

- C18 H16 O3 S -

- C36 H32 O6 S2 -

2

1

Retoux, R.; Girodier, L.; Rouessac, F.

(-)-(S,S)-α-Phenyl-2-(p-tolylsulfinyl)-3-furanmethanol

Acta Crystallographica, Section C: Crystal Structure Communications

1,995

51

1

146

148

10.1107/s0108270194006050

null

0.0329

null

0.0329

null

has coordinates

Retoux, R.; Girodier, L.; Rouessac, F. (-)-(S,S)-α-Phenyl-2-(p-tolylsulfinyl)-3-furanmethanol Acta Crystallographica, Section C: Crystal Structure Communications 51(1) (1995) 146-148

199,648

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2,000,009

10.154

0.001

18.393

0.002

15.773

0.002

90

null

90

null

90

null

2,945.8

null

7

P b c a

-P 2ac 2ab

61

- C3 H14 F2 Ga3 N2 O13 P3 -

- C24 H112 F16 Ga24 N16 O104 P24 -

8

1

Loiseau, Thierry; Retoux, Richard; Lacorre, Philippe; Férey, Gérard

Oxyfluorinated Microporous Compounds

Journal of Solid State Chemistry

1,994

111

427

436

10.1006/jssc.1994.1249

null

0.024

null

0.024

null

has coordinates

Loiseau, Thierry; Retoux, Richard; Lacorre, Philippe; Férey, Gérard Oxyfluorinated Microporous Compounds Journal of Solid State Chemistry 111 (1994) 427-436

199,798

2020-10-21

18:00:00

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2,000,010

27.668

0.007

5.2391

0.0012

10.4134

0.0015

90

null

90

null

90

null

1,509.48

null

4

P n a 21

P 2c -2n

33

- C16 H18 O3 S -

- C64 H72 O12 S4 -

4

1

Retoux, R.; Molenkamp, J.; Bonfand, E.; Gosselin, P.; Maignan, C.

(RS)-4-p-Toluenesulfinylcyclohexa-1,4-dienecarboxylic Acid Ethyl Ester

Acta Crystallographica, Section C: Crystal Structure Communications

1,996

52

9

2290

2292

10.1107/s0108270196005744

null

0.042

null

0.042

null

has coordinates

Retoux, R.; Molenkamp, J.; Bonfand, E.; Gosselin, P.; Maignan, C. (RS)-4-p-Toluenesulfinylcyclohexa-1,4-dienecarboxylic Acid Ethyl Ester Acta Crystallographica, Section C: Crystal Structure Communications 52(9) (1996) 2290-2292

199,648

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2,000,011

7.0123

0.0005

7.5297

0.0009

29.094

0.002

90

null

90

null

90

null

1,536.18

null

4

P 21 21 21

P 2ac 2ab

19

- C17 H18 O3 S -

- C68 H72 O12 S4 -

4

1

Retoux, R.; Guillot, C.; Maignan, C.

Structure determination of (1S;S~s~)-3-methoxy-1-phenyl-2-(p-tolylsulfinyl)-2-propen-1-ol (C~17~H~18~O~3~S)

Acta Crystallographica, Section C: Crystal Structure Communications

1,993

49

3

629

630

10.1107/s0108270192011235

null

0.028

null

0.028

null

has coordinates

Retoux, R.; Guillot, C.; Maignan, C. Structure determination of (1S;S~s~)-3-methoxy-1-phenyl-2-(p-tolylsulfinyl)-2-propen-1-ol (C~17~H~18~O~3~S) Acta Crystallographica, Section C: Crystal Structure Communications 49(3) (1993) 629-630

199,648

2020-10-21

18:00:00

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2,000,012

7.968

0.0014

8.1104

0.0011

23.761

0.003

90

null

90

null

90

null

1,535.52

null

4

P 21 21 21

P 2ac 2ab

19

- C16 H20 O3 S -

- C64 H80 O12 S4 -

4

1

Retoux, R.; Hayes, P.; Maignan, C.

(5S,SS)-7-Methyl-8-p-toluenesulfinyl-1,6-dioxaspiro[4.5]dec-7-ene

Acta Crystallographica, Section C: Crystal Structure Communications

1,995

51

1

93

94

10.1107/s0108270194007298

null

0.0514

null

0.0514

null

has coordinates

Retoux, R.; Hayes, P.; Maignan, C. (5S,SS)-7-Methyl-8-p-toluenesulfinyl-1,6-dioxaspiro[4.5]dec-7-ene Acta Crystallographica, Section C: Crystal Structure Communications 51(1) (1995) 93-94

199,648

2020-10-21

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2,000,013

8.5143

0.0007

11.8171

0.0006

14.752

0.0009

90

null

90

null

90

null

1,484.26

null

5

P 21 21 21

P 2ac 2ab

19

- C16 H17 N O3 S -

- C64 H68 N4 O12 S4 -

4

1

Gosselin, P.; Bonfand, E.; Maignan, C.; Retoux, R.

The Diels-Alder Adduct of an Enantiopure 2-Sulfinyldiene and Maleimide: (1S,2R,3S,SR)-3-Methyl-5-p-toluenesulfinylcyclohex-4-en-1,2-dicarboximide

Acta Crystallographica, Section C: Crystal Structure Communications

1,995

51

1

94

10.1107/s0108270194007304

null

0.0419

null

0.0419

null

has coordinates

Gosselin, P.; Bonfand, E.; Maignan, C.; Retoux, R. The Diels-Alder Adduct of an Enantiopure 2-Sulfinyldiene and Maleimide: (1S,2R,3S,SR)-3-Methyl-5-p-toluenesulfinylcyclohex-4-en-1,2-dicarboximide Acta Crystallographica, Section C: Crystal Structure Communications 51(1) (1995) 94

199,648

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18:00:00

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2,000,014

9.0965

0.001

9.1746

0.001

9.5609

0.001

116.821

0.002

103.418

0.002

106.402

0.002

619.97

0.12

173

2

173

2

null

5

P -1

-P 1

2

molybdenum sulfide cluster with

octakis(mu!3$-sulfido)-hexakis(methylamine) -hexa-molybdenum

- C6 H30 Mo6 N6 S8 -

1

0.5

Jin, Song; Popp, Friedrich; Boettcher, Shannon W.; Yuan, Min; Oertel, Catherine M.; DiSalvo, Francis J.

Synthesis, characterization and properties of Mo6S8(4-tert-butylpyridine)6 and related M6S8L6 cluster complexes (M = Mo, W)

Journal of the Chemical Society, Dalton Transactions

2,002

null

16

3096

10.1039/b202246j

0.71073

MoKα

0.0553

0.0401

null

0.1023

0.1092

null

1.127

null

has coordinates

Jin, Song; Popp, Friedrich; Boettcher, Shannon W.; Yuan, Min; Oertel, Catherine M.; DiSalvo, Francis J. Synthesis, characterization and properties of Mo6S8(4-tert-butylpyridine)6 and related M6S8L6 cluster complexes (M = Mo, W) Journal of the Chemical Society, Dalton Transactions (issue 16) (2002) 3096

301,791

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7,015,081

10.9218

0.0004

17.1519

0.0005

22.5719

0.0006

90

null

99.906

0.003

90

null

4,165.3

0.2

294

2

294

2

null

6

P 1 21/c 1

-P 2ybc

14

- C42 H36 Ag3 Cl N6 O11 -

- C168 H144 Ag12 Cl4 N24 O44 -

4

1

Fang, Shao-Ming; Hu, Min; Zhang, Qiang; Du, Miao; Liu, Chun-Sen

Ag(I) and Zn(II) coordination polymers with a bulky naphthalene-based dicarboxyl tecton and different 4,4'-bipyridyl-like bridging co-ligands: structural regulation and properties.

Dalton transactions (Cambridge, England : 2003)

2,011

40

17

4527

4541

10.1039/c0dt00903b

0.71073

MoKα

0.0956

0.0372

null

0.048

0.0516

null

0.985

null

has coordinates

Fang, Shao-Ming; Hu, Min; Zhang, Qiang; Du, Miao; Liu, Chun-Sen Ag(I) and Zn(II) coordination polymers with a bulky naphthalene-based dicarboxyl tecton and different 4,4'-bipyridyl-like bridging co-ligands: structural regulation and properties. Dalton transactions (Cambridge, England : 2003) 40(17) (2011) 4527-4541

179,854

2020-10-21

18:00:00

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2,000,015

9.3457

0.0009

15.7644

0.0016

15.7752

0.0016

99.506

0.003

98.305

0.003

96.087

0.003

2,248

0.4

173

2

173

2

null

5

P -1

-P 1

2

molybdenum sulfide cluster with bipyridyl

octakis(mu!3$-sulfido)-hexakis(4,4'-bipyridyl) -hexa-molybdenum pentakis(aniline) solvate

- C90 H83 Mo6 N17 S8 -

1

0.5

Jin, Song; Popp, Friedrich; Boettcher, Shannon W.; Yuan, Min; Oertel, Catherine M.; DiSalvo, Francis J.

Synthesis, characterization and properties of Mo6S8(4-tert-butylpyridine)6 and related M6S8L6 cluster complexes (M = Mo, W)

Journal of the Chemical Society, Dalton Transactions

2,002

null

16

3096

10.1039/b202246j

0.71073

MoKα

0.0872

0.0435

null

0.0787

0.0905

null

0.989

null

has coordinates,has disorder

Jin, Song; Popp, Friedrich; Boettcher, Shannon W.; Yuan, Min; Oertel, Catherine M.; DiSalvo, Francis J. Synthesis, characterization and properties of Mo6S8(4-tert-butylpyridine)6 and related M6S8L6 cluster complexes (M = Mo, W) Journal of the Chemical Society, Dalton Transactions (issue 16) (2002) 3096

213,973

2020-10-21

18:00:00

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2,000,016

12.825

0.002

11.691

0.002

18.568

0.005

90

null

90.15

0.03

90

null

2,784.02

null

5

P 1 21/n 1

-P 2yn

14

- C32 H72 Cl14 N2 W6 -

- C56 H126 Cl28 N2 W12 -

- C112 H252 Cl56 N4 W24 -

2

0.5

Venkataraman, D.; Rayburn, Lori L.; Hill, Laurie I.; Jin, Song; Malik, Abds-Sami; Turneau, Kevin J.; DiSalvo, Francis J.

An Improved High Yield Synthesis Procedure and Reactivity of W~6~S~8~(4-tert-butylpyridine)~6~

Inorganic Chemistry

1,999

38

828

830

10.1021/ic980967s

null

0.0496

null

0.0496

null

has coordinates

Venkataraman, D.; Rayburn, Lori L.; Hill, Laurie I.; Jin, Song; Malik, Abds-Sami; Turneau, Kevin J.; DiSalvo, Francis J. An Improved High Yield Synthesis Procedure and Reactivity of W~6~S~8~(4-tert-butylpyridine)~6~ Inorganic Chemistry 38 (1999) 828-830

199,648

2020-10-21

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2,000,017

30.192

0.003

9.3346

0.0008

27.803

0.002

90

null

103.45

0.003

90

null

7,620.8

1.1

173

2

173

2

null

6

C 1 2/c 1

-C 2yc

15

Molybdenum sulfide cluster with

octakis(mu!3$-sulfido)-hexakis(4-tert-butylpyridine) -hexa-molybdenum-bis(diethylether)solvate

- C62 H98 Mo6 N6 O2 S8 -

- C248 H392 Mo24 N24 O8 S32 -

4

0.5

Jin, Song; Popp, Friedrich; Boettcher, Shannon W.; Yuan, Min; Oertel, Catherine M.; DiSalvo, Francis J.

Synthesis, characterization and properties of Mo6S8(4-tert-butylpyridine)6 and related M6S8L6 cluster complexes (M = Mo, W)

Journal of the Chemical Society, Dalton Transactions

2,002

null

16

3096

10.1039/b202246j

0.71073

MoKα

0.0674

0.0451

null

0.092

0.0975

null

1.345

null

has coordinates,has disorder

Jin, Song; Popp, Friedrich; Boettcher, Shannon W.; Yuan, Min; Oertel, Catherine M.; DiSalvo, Francis J. Synthesis, characterization and properties of Mo6S8(4-tert-butylpyridine)6 and related M6S8L6 cluster complexes (M = Mo, W) Journal of the Chemical Society, Dalton Transactions (issue 16) (2002) 3096

301,791

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2,000,018

10.1922

0.0011

14.2843

0.0015

23.164

0.002

99.197

0.003

93.272

0.003

102.595

0.003

3,234.12

null

173

null

7

P -1

-P 1

2

- C124 H120 Ag4 F12 N4 O12 S16 -

- C134 H108 Ag8 F18 N4 O18 S20 -

1

0.5

Chen, Banglin; Lee, Stephen; Venkataraman, D.; DiSalvo, Francis J.; Lobkovsky, Emil; Nakayama, Miki

Packing Principles of Thioether Derivatives of Triarylamine Silver Salts

Crystal Growth & Design

2,002

2

101

105

10.1021/cg010030t

null

0.0501

null

0.0501

null

has coordinates

Chen, Banglin; Lee, Stephen; Venkataraman, D.; DiSalvo, Francis J.; Lobkovsky, Emil; Nakayama, Miki Packing Principles of Thioether Derivatives of Triarylamine Silver Salts Crystal Growth & Design 2(2) (2002) 101-105

199,648

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2,000,019

11.033

0.004

12.524

0.004

13.345

0.004

70.404

0.008

87.048

0.008

79.495

0.008

1,707.96

null

173

null

7

P -1

-P 1

2

- C33 H45 Ag Cl N O7 S3 -

- C31 H37 Ag3 Cl N O7 S5 -

- C62 H74 Ag6 Cl2 N2 O14 S10 -

2

1

Chen, Banglin; Lee, Stephen; Venkataraman, D.; DiSalvo, Francis J.; Lobkovsky, Emil; Nakayama, Miki

Packing Principles of Thioether Derivatives of Triarylamine Silver Salts

Crystal Growth & Design

2,002

2

101

105

10.1021/cg010030t

null

0.0599

null

0.0599

null

has coordinates

Chen, Banglin; Lee, Stephen; Venkataraman, D.; DiSalvo, Francis J.; Lobkovsky, Emil; Nakayama, Miki Packing Principles of Thioether Derivatives of Triarylamine Silver Salts Crystal Growth & Design 2(2) (2002) 101-105

199,648

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-08-08 18:53:33 +0300 (Tue, 08 Aug 2017) $ #$Revision: 199648 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/00/2000019.cif $ #-------------------------------------------------------------------...

7,015,080

17.195

0.004

6.2492

0.0007

10.7732

0.0014

90

null

100.507

0.016

90

null

1,138.2

0.3

294

2

294

2

null

4

P 1 21/c 1

-P 2ybc

14

- C12 H6 Ag2 O4 -

- C48 H24 Ag8 O16 -

4

1

Fang, Shao-Ming; Hu, Min; Zhang, Qiang; Du, Miao; Liu, Chun-Sen

Ag(I) and Zn(II) coordination polymers with a bulky naphthalene-based dicarboxyl tecton and different 4,4'-bipyridyl-like bridging co-ligands: structural regulation and properties.

Dalton transactions (Cambridge, England : 2003)

2,011

40

17

4527

4541

10.1039/c0dt00903b

0.71073

MoKα

0.0671

0.0419

null

0.0774

0.0798

null

1.048

null

has coordinates

Fang, Shao-Ming; Hu, Min; Zhang, Qiang; Du, Miao; Liu, Chun-Sen Ag(I) and Zn(II) coordination polymers with a bulky naphthalene-based dicarboxyl tecton and different 4,4'-bipyridyl-like bridging co-ligands: structural regulation and properties. Dalton transactions (Cambridge, England : 2003) 40(17) (2011) 4527-4541

179,854

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-25 13:37:44 +0200 (Fri, 25 Mar 2016) $ #$Revision: 179854 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/50/7015080.cif $ #-------------------------------------------------------------------...

2,000,020

15.7848

0.0006

15.8557

0.0006

19.2559

0.0007

96.079

0.001

105.808

0.001

118.42

0.001

3,917.05

null

173

null

8

P -1

-P 1

2

?

- C68 H63 Ag5 Cl4 F12 N3 S13 Sb2 -

- C136 H126 Ag10 Cl8 F24 N6 S26 Sb4 -

2

1

Chen, Banglin; Lee, Stephen; Venkataraman, D.; DiSalvo, Francis J.; Lobkovsky, Emil; Nakayama, Miki

Packing Principles of Thioether Derivatives of Triarylamine Silver Salts

Crystal Growth & Design

2,002

2

101

105

10.1021/cg010030t

null

0.0875

null

0.0875

null

has coordinates

Chen, Banglin; Lee, Stephen; Venkataraman, D.; DiSalvo, Francis J.; Lobkovsky, Emil; Nakayama, Miki Packing Principles of Thioether Derivatives of Triarylamine Silver Salts Crystal Growth & Design 2(2) (2002) 101-105

277,834

2022-09-14

16:39:42

#------------------------------------------------------------------------------ #$Date: 2022-09-14 19:38:48 +0300 (Wed, 14 Sep 2022) $ #$Revision: 277834 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/00/2000020.cif $ #-------------------------------------------------------------------...

2,000,021

19.432

0.004

19.432

0.004

22.574

0.004

90

null

90

null

90

null

8,524

null

173

null

5

I -4

82

- C65 H137 N13 S8 W6 -

- C98 H186 N18 S16 W12 -

- C392 H744 N72 S64 W48 -

4

0.5

Venkataraman, D.; Rayburn, Lori L.; Hill, Laurie I.; Jin, Song; Malik, Abds-Sami; Turneau, Kevin J.; DiSalvo, Francis J.

An Improved High Yield Synthesis Procedure and Reactivity of W~6~S~8~(4-tert-butylpyridine)~6~

Inorganic Chemistry

1,999

38

4

828

830

10.1021/ic980967s

null

0.0579

null

0.0579

null

has coordinates

Venkataraman, D.; Rayburn, Lori L.; Hill, Laurie I.; Jin, Song; Malik, Abds-Sami; Turneau, Kevin J.; DiSalvo, Francis J. An Improved High Yield Synthesis Procedure and Reactivity of W~6~S~8~(4-tert-butylpyridine)~6~ Inorganic Chemistry 38(4) (1999) 828-830

199,648

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-08-08 18:53:33 +0300 (Tue, 08 Aug 2017) $ #$Revision: 199648 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/00/2000021.cif $ #-------------------------------------------------------------------...

2,000,022

17.481

0.003

17.481

0.003

19.935

0.004

90

null

90

null

120

null

5,275.69

null

5

R -3 :H

-R 3

148

- C48 H102 P6 S8 W6 -

- C240 H504 P36 S40 W36 -

- C720 H1512 P108 S120 W108 -

3

0.166667

Venkataraman, D.; Rayburn, Lori L.; Hill, Laurie I.; Jin, Song; Malik, Abds-Sami; Turneau, Kevin J.; DiSalvo, Francis J.

An Improved High Yield Synthesis Procedure and Reactivity of W~6~S~8~(4-tert-butylpyridine)~6~

Inorganic Chemistry

1,999

38

4

828

830

10.1021/ic980967s

null

0.0402

null

0.0402

null

has coordinates

Venkataraman, D.; Rayburn, Lori L.; Hill, Laurie I.; Jin, Song; Malik, Abds-Sami; Turneau, Kevin J.; DiSalvo, Francis J. An Improved High Yield Synthesis Procedure and Reactivity of W~6~S~8~(4-tert-butylpyridine)~6~ Inorganic Chemistry 38(4) (1999) 828-830

199,648

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-08-08 18:53:33 +0300 (Tue, 08 Aug 2017) $ #$Revision: 199648 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/00/2000022.cif $ #-------------------------------------------------------------------...

2,000,023

31.2094

0.0002

13.1764

0.0002

29.4518

0.0005

90

null

111.321

0.001

90

null

11,282.5

null

173

2

null

6

C 1 2/c 1

-C 2yc

15

- C104 H190 N2 P4 S8 W6 -

- C416 H760 N8 P16 S32 W24 -

4

0.5

Song Jin; D. Venkataraman; Francis J. DiSalvo

Ligand Substitution Reactions of W6S8L6 with Tricyclohexylphosphine (L = 4-tert-Butylpyridine or n-Butylamine): 31P NMR and Structural Studies of W6S8(PCy3)n(4-tert-butylpyridine)6-n (0 < n <= 6) Complexes

Inorganic Chemistry

2,000

39

2747

2757

10.1021/ic991426l

0.71073

MoKα

0.0593

0.0365

null

0.0704

0.0365

null

1.146

1.204

null

has coordinates,has disorder

Song Jin; D. Venkataraman; Francis J. DiSalvo Ligand Substitution Reactions of W6S8L6 with Tricyclohexylphosphine (L = 4-tert-Butylpyridine or n-Butylamine): 31P NMR and Structural Studies of W6S8(PCy3)n(4-tert-butylpyridine)6-n (0 < n <= 6) Complexes Inorganic Chemistry 39 (2000) 2747-2757

301,791

2025-08-18

23:14:58

#------------------------------------------------------------------------------ #$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/2/00/00/2000023.cif $ #-------------------------------------------------------------------...

2,000,024

10.0667

0.0011

17.699

0.002

14.374

0.002

90

null

105.171

0.002

90

null

2,471.77

null

298

2

null

5

C 1 2/m 1

-C 2y

12

- C24 H66 N6 S8 W6 -

- C48 H132 N12 S16 W12 -

2

0.25

Song Jin; D. Venkataraman; Francis J. DiSalvo

Ligand Substitution Reactions of W6S8L6 with Tricyclohexylphosphine (L = 4-tert-Butylpyridine or n-Butylamine): 31P NMR and Structural Studies of W6S8(PCy3)n(4-tert-butylpyridine)6-n (0 < n <= 6) Complexes

Inorganic Chemistry

2,000

39

2747

2757

10.1021/ic991426l

0.71073

MoKα

0.154

0.0768

null

0.2482

0.0768

null

1.092

1.211

null

has coordinates

Song Jin; D. Venkataraman; Francis J. DiSalvo Ligand Substitution Reactions of W6S8L6 with Tricyclohexylphosphine (L = 4-tert-Butylpyridine or n-Butylamine): 31P NMR and Structural Studies of W6S8(PCy3)n(4-tert-butylpyridine)6-n (0 < n <= 6) Complexes Inorganic Chemistry 39 (2000) 2747-2757

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/2/00/00/2000024.cif $ #-------------------------------------------------------------------...

2,000,025

15.0729

0.0001

15.2558

0.0001

16.0623

0.0002

62.161

0.001

78.813

0.001

73.48

null

3,123.04

null

165

2

null

5

P -1

-P 1

2

- C122 H230 P6 S8 W6 -

1

0.5

Song Jin; D. Venkataraman; Francis J. DiSalvo

Ligand Substitution Reactions of W6S8L6 with Tricyclohexylphosphine (L = 4-tert-Butylpyridine or n-Butylamine): 31P NMR and Structural Studies of W6S8(PCy3)n(4-tert-butylpyridine)6-n (0 < n <= 6) Complexes

Inorganic Chemistry

2,000

39

2747

2757

10.1021/ic991426l

0.71073

MoKα

0.0752

0.046

null

0.1443

0.046

null

0.946

0.976

null

has coordinates

Song Jin; D. Venkataraman; Francis J. DiSalvo Ligand Substitution Reactions of W6S8L6 with Tricyclohexylphosphine (L = 4-tert-Butylpyridine or n-Butylamine): 31P NMR and Structural Studies of W6S8(PCy3)n(4-tert-butylpyridine)6-n (0 < n <= 6) Complexes Inorganic Chemistry 39 (2000) 2747-2757

301,791

2025-08-18

23:14:58

#------------------------------------------------------------------------------ #$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/2/00/00/2000025.cif $ #-------------------------------------------------------------------...

2,000,026

15.0562

0.001

16.2762

0.001

20.488

0.0013

88.98

0.002

74.256

0.002

78.297

0.002

4,728.23

null

173

null

5

P -1

-P 1

2

- C84 H156 P6 S8 W6 -

- C85 H155 P6 S8 W6 -

- C170 H310 P12 S16 W12 -

2

1

Jin, Song; Adamchuk, Jennifer; Xiang, Bosong; DiSalvo, Francis J.

The Dean-Evans Relation in ^31^P NMR Spectroscopy and Its Application to the Chemistry of Octahedral Tungsten Sulfide Clusters

Journal of the American Chemical Society

2,002

124

31

9229

9240

10.1021/ja0257873

null

0.0498

null

0.0498

null

has coordinates

Jin, Song; Adamchuk, Jennifer; Xiang, Bosong; DiSalvo, Francis J. The Dean-Evans Relation in ^31^P NMR Spectroscopy and Its Application to the Chemistry of Octahedral Tungsten Sulfide Clusters Journal of the American Chemical Society 124(31) (2002) 9229-9240

199,648

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-08-08 18:53:33 +0300 (Tue, 08 Aug 2017) $ #$Revision: 199648 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/00/2000026.cif $ #-------------------------------------------------------------------...

2,000,027

9.044

0.002

9.325

0.003

13.986

0.005

71.21

0.02

82.77

0.02

65.69

0.02

1,017.61

null

295

null

295

null

6

P -1

-P 1

2

- C4 H16 K4 N4 Pb Te3 -

- C4 H16 K4 N6 Pb Te3 -

- C8 H32 K8 N12 Pb2 Te6 -

2

1

C. D. W. Jones; F. J. DiSalvo; R. C. Haushalter

Synthesis and X-Ray Crystal Structure of K~4~PbTe~3~.2(en)

Inorganic Chemistry

1,998

37

821

823

10.1021/ic970882b

0.7107

null

0.0384

null

0.0384

null

2.823

null

has coordinates

C. D. W. Jones; F. J. DiSalvo; R. C. Haushalter Synthesis and X-Ray Crystal Structure of K~4~PbTe~3~.2(en) Inorganic Chemistry 37 (1998) 821-823

277,834

2022-09-14

16:39:42

#------------------------------------------------------------------------------ #$Date: 2022-09-14 19:38:48 +0300 (Wed, 14 Sep 2022) $ #$Revision: 277834 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/00/2000027.cif $ #-------------------------------------------------------------------...

2,000,028

12.942

0.003

9.2637

0.0009

13.877

0.003

90

null

103.25

0.01

90

null

1,619.44

null

4

P 1 21/n 1

-P 2yn

14

- C8 H28 Li4 N8 -

- C32 H112 Li16 N32 -

4

1

Kowach, Glen R.; Warren, Christopher J.; Haushalter, Robert C.; DiSalvo, Francis J.

Synthesis and Structure of the One-Dimensional Polymer Li(NHCH~2~CH~2~NH~2~)

Inorganic Chemistry

1,998

37

1

156

159

10.1021/ic970778u

null

0.047

null

0.047

null

has coordinates,has disorder

Kowach, Glen R.; Warren, Christopher J.; Haushalter, Robert C.; DiSalvo, Francis J. Synthesis and Structure of the One-Dimensional Polymer Li(NHCH~2~CH~2~NH~2~) Inorganic Chemistry 37(1) (1998) 156-159

199,801

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-08-16 17:38:13 +0300 (Wed, 16 Aug 2017) $ #$Revision: 199801 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/00/2000028.cif $ #-------------------------------------------------------------------...

2,000,029

20.208

0.003

20.208

0.003

20.843

0.003

90

null

90

null

120

null

7,371.19

null

5

R -3 :H

-R 3

148

- C90 H114 N6 S8 W6 -

- C144 H204 N6 S8 W6 -

- C432 H612 N18 S24 W18 -

3

0.166667

Ehrlich, Grant M.; Warren, Christopher J.; Vennos, Deborah A.; Ho, Douglas M.; Haushalter, Robert C.; DiSalvo, Francis J.

Synthesis, Structure, and Characterization of N-Ligated W~6~S~8~L~6~ Cluster Complexes

Inorganic Chemistry

1,995

34

17

4454

4459

10.1021/ic00121a025

null

0.0413

null

0.0413

null

has coordinates

Ehrlich, Grant M.; Warren, Christopher J.; Vennos, Deborah A.; Ho, Douglas M.; Haushalter, Robert C.; DiSalvo, Francis J. Synthesis, Structure, and Characterization of N-Ligated W~6~S~8~L~6~ Cluster Complexes Inorganic Chemistry 34(17) (1995) 4454-4459

199,802

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-08-16 18:19:49 +0300 (Wed, 16 Aug 2017) $ #$Revision: 199802 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/00/2000029.cif $ #-------------------------------------------------------------------...

2,000,030

26.497

0.003

26.497

0.003

12.1761

0.0019

90

null

90

null

120

null

7,403.42

null

165

null

7

R -3 :H

-R 3

148

- C42 H108 N6 Na6 O18 S26 W6 -

- C300 H792 N36 Na36 O132 S172 W36 -

- C900 H2376 N108 Na108 O396 S516 W108 -

3

0.166667

Jin, Song; DiSalvo, Francis J.

Novel octahedral tungsten sulfidocyanide cluster anion [W~6~S~8~(CN)~6~]^6-^

Chemical Communications

2,001

null

17

1586

1587

10.1039/B104161B

null

0.0249

null

0.0249

null

7,112,141

null

has coordinates

Jin, Song; DiSalvo, Francis J. Novel octahedral tungsten sulfidocyanide cluster anion [W~6~S~8~(CN)~6~]^6-^ Chemical Communications (issue 17) (2001) 1586-1587

199,648

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-08-08 18:53:33 +0300 (Tue, 08 Aug 2017) $ #$Revision: 199648 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/00/2000030.cif $ #-------------------------------------------------------------------...

2,000,031

13.9117

0.0001

13.9117

0.0001

32.4106

0.0002

90

null

90

null

120

null

5,432.23

null

163

null

7

R -3 :H

-R 3

148

- C44 H106 F6 O2 P7 S8 W6 -

- C288 H624 F46 O18 P37 S40 W36 -

- C864 H1872 F138 O54 P111 S120 W108 -

3

0.166667

Hill, L. I.; Jin, Song; Zhou, Ran; Venkataraman, D.; DiSalvo, F. J.

Synthesis and Characterization of Oxidized W~6~S~8~L~6~ Clusters

Inorganic Chemistry

2,001

40

12

2660

2665

10.1021/ic001099d

null

0.0451

null

0.0451

null

has coordinates

Hill, L. I.; Jin, Song; Zhou, Ran; Venkataraman, D.; DiSalvo, F. J. Synthesis and Characterization of Oxidized W~6~S~8~L~6~ Clusters Inorganic Chemistry 40(12) (2001) 2660-2665

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/2/00/00/2000031.cif $ #-------------------------------------------------------------------...

2,000,032

24.6648

0.0012

19.8619

0.0009

20.1365

0.001

90

null

103.324

0.001

90

null

9,599.13

null

163

null

5

C 1 2/c 1

-C 2yc

15

- C72 H162 P6 S8 W6 -

- C180 H410 P12 S16 W12 -

- C720 H1640 P48 S64 W48 -

4

0.5

Jin, Song; Zhou, Ran; Scheuer, E. M.; Adamchuk, J.; Rayburn, L. L.; Disalvo, F. J.

Synthesis, Characterization, and Ligand Exchange Studies of W~6~S~8~L~6~ Cluster Compounds

Inorganic Chemistry

2,001

40

12

2666

2674

10.1021/ic001314q

null

0.025

null

0.025

null

has coordinates

Jin, Song; Zhou, Ran; Scheuer, E. M.; Adamchuk, J.; Rayburn, L. L.; Disalvo, F. J. Synthesis, Characterization, and Ligand Exchange Studies of W~6~S~8~L~6~ Cluster Compounds Inorganic Chemistry 40(12) (2001) 2666-2674

176,428

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176428 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/00/2000032.cif $ #-------------------------------------------------------------------...

2,000,033

14.6107

0.0006

16.6282

0.0007

21.2344

0.0009

96.3869

0.0009

93.7166

0.001

92.1225

0.001

5,110.99

null

173

null

5

P -1

-P 1

2

- C114 H96 P6 S8 W6 -

- C118 H100 P6 S8 W6 -

- C236 H200 P12 S16 W12 -

2

1

Jin, Song; Zhou, Ran; Scheuer, E. M.; Adamchuk, J.; Rayburn, L. L.; Disalvo, F. J.

Synthesis, Characterization, and Ligand Exchange Studies of W~6~S~8~L~6~ Cluster Compounds

Inorganic Chemistry

2,001

40

12

2666

2674

10.1021/ic001314q

null

0.0368

null

0.0368

null

has coordinates

Jin, Song; Zhou, Ran; Scheuer, E. M.; Adamchuk, J.; Rayburn, L. L.; Disalvo, F. J. Synthesis, Characterization, and Ligand Exchange Studies of W~6~S~8~L~6~ Cluster Compounds Inorganic Chemistry 40(12) (2001) 2666-2674

174,727

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-01-22 03:21:24 +0200 (Fri, 22 Jan 2016) $ #$Revision: 174727 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/00/2000033.cif $ #-------------------------------------------------------------------...

2,000,034

12.1751

0.0006

12.5456

0.0006

12.7678

0.0006

111.532

0.0011

110.339

0.0011

93.1387

0.0011

1,663.42

null

173

null

5

P -1

-P 1

2

- C54 H78 N6 S8 W6 -

- C96 H144 N12 S16 W12 -

1

0.5

Jin, Song; Zhou, Ran; Scheuer, E. M.; Adamchuk, J.; Rayburn, L. L.; Disalvo, F. J.

Synthesis, Characterization, and Ligand Exchange Studies of W~6~S~8~L~6~ Cluster Compounds

Inorganic Chemistry

2,001

40

12

2666

2674

10.1021/ic001314q

null

0.0412

null

0.0412

null

has coordinates

Jin, Song; Zhou, Ran; Scheuer, E. M.; Adamchuk, J.; Rayburn, L. L.; Disalvo, F. J. Synthesis, Characterization, and Ligand Exchange Studies of W~6~S~8~L~6~ Cluster Compounds Inorganic Chemistry 40(12) (2001) 2666-2674

174,727

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-01-22 03:21:24 +0200 (Fri, 22 Jan 2016) $ #$Revision: 174727 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/00/2000034.cif $ #-------------------------------------------------------------------...

2,000,035

14.8105

0.0013

18.5419

0.0017

25.108

0.002

90

null

104.284

0.002

90

null

6,681.87

null

173

null

6

C 1 2/c 1

-C 2yc

15

- C51.4 H91.6 N11 O7.3 S8 W6 -

- C90 H169 N19 O14 S16 W12 -

- C360 H676 N76 O56 S64 W48 -

4

0.5

Jin, Song; Zhou, Ran; Scheuer, E. M.; Adamchuk, J.; Rayburn, L. L.; Disalvo, F. J.

Synthesis, Characterization, and Ligand Exchange Studies of W~6~S~8~L~6~ Cluster Compounds

Inorganic Chemistry

2,001

40

12

2666

2674

10.1021/ic001314q

null

0.0304

null

0.0304

null

has coordinates

Jin, Song; Zhou, Ran; Scheuer, E. M.; Adamchuk, J.; Rayburn, L. L.; Disalvo, F. J. Synthesis, Characterization, and Ligand Exchange Studies of W~6~S~8~L~6~ Cluster Compounds Inorganic Chemistry 40(12) (2001) 2666-2674

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/2/00/00/2000035.cif $ #-------------------------------------------------------------------...

2,000,036

9.0847

0.0005

9.1602

0.0005

9.566

0.0005

103.732

0.001

116.622

0.001

106.265

0.001

619.1

null

173

null

5

P -1

-P 1

2

- C6 H30 N6 S8 W6 -

- C12 H60 N12 S16 W12 -

1

0.5

Jin, Song; Zhou, Ran; Scheuer, E. M.; Adamchuk, J.; Rayburn, L. L.; Disalvo, F. J.

Synthesis, Characterization, and Ligand Exchange Studies of W~6~S~8~L~6~ Cluster Compounds

Inorganic Chemistry

2,001

40

12

2666

2674

10.1021/ic001314q

null

0.0444

null

0.0444

null

has coordinates

Jin, Song; Zhou, Ran; Scheuer, E. M.; Adamchuk, J.; Rayburn, L. L.; Disalvo, F. J. Synthesis, Characterization, and Ligand Exchange Studies of W~6~S~8~L~6~ Cluster Compounds Inorganic Chemistry 40(12) (2001) 2666-2674

174,727

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-01-22 03:21:24 +0200 (Fri, 22 Jan 2016) $ #$Revision: 174727 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/00/2000036.cif $ #-------------------------------------------------------------------...

2,000,037

23.1036

0.0004

20.8216

0.0003

11.497

null

90

null

99.703

0.001

90

null

5,451.56

null

173

null

5

C 1 2/c 1

-C 2yc

15

- C32 H88 N8 S8 W6 -

- C56 H154 N14 S16 W12 -

- C224 H616 N56 S64 W48 -

4

0.5

Jin, Song; Zhou, Ran; Scheuer, E. M.; Adamchuk, J.; Rayburn, L. L.; Disalvo, F. J.

Synthesis, Characterization, and Ligand Exchange Studies of W~6~S~8~L~6~ Cluster Compounds

Inorganic Chemistry

2,001

40

12

2666

2674

10.1021/ic001314q

null

0.0325

null

0.0325

null

has coordinates

Jin, Song; Zhou, Ran; Scheuer, E. M.; Adamchuk, J.; Rayburn, L. L.; Disalvo, F. J. Synthesis, Characterization, and Ligand Exchange Studies of W~6~S~8~L~6~ Cluster Compounds Inorganic Chemistry 40(12) (2001) 2666-2674

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/2/00/00/2000037.cif $ #-------------------------------------------------------------------...

2,000,038

16.004

0.002

16.004

0.002

14.988

0.003

90

null

90

null

90

null

3,838.85

null

173.15

null

6

I 41/a :2

-I 4ad

88

- C32 H20 B F24 Li O4 -

- C128 H80 B F108 Li O16 -

- C512 H320 B4 F432 Li4 O64 -

4

0.25

Golden, Josh H.; Mutolo, Paul F.; Lobkovsky, Emil B.; DiSalvo, Francis J.

Lithium-Mediated Organofluorine Hydrogen Bonding: Structure of Lithium Tetrakis(3,5-bis(trifluoromethyl)phenyl)borate Tetrahydrate

Inorganic Chemistry

1,994

33

24

5374

5375

10.1021/ic00102a004

null

0.0556

null

0.0556

null

has coordinates

Golden, Josh H.; Mutolo, Paul F.; Lobkovsky, Emil B.; DiSalvo, Francis J. Lithium-Mediated Organofluorine Hydrogen Bonding: Structure of Lithium Tetrakis(3,5-bis(trifluoromethyl)phenyl)borate Tetrahydrate Inorganic Chemistry 33(24) (1994) 5374-5375

199,666

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-08-09 08:17:50 +0300 (Wed, 09 Aug 2017) $ #$Revision: 199666 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/00/2000038.cif $ #-------------------------------------------------------------------...

2,000,039

10.342

0.003

15.176

0.003

13.515

0.003

90

null

93.55

0.02

90

null

2,117.11

null

252.15

null

6

P 1 21/m 1

-P 2yb

11

- C20 H46 Cl12 Mo6 O2 P2 -

- C30 Cl22 Mo8 P2 -

- C60 Cl44 Mo16 P4 -

2

0.5

Ehrlich, Grant M.; Deng, Haibin; Hill, Laurie I.; Steigerwald, M. L.; Squattrito, Philip J.; DiSalvo, Francis J.

Synthesis and Characterization of cis-[Mo~6~Cl~8~(Cl~4~)(P(C~2~H~5~)~3~)~2~] · 2THF

Inorganic Chemistry

1,995

34

9

2480

2482

10.1021/ic00113a036

null

0.037

null

0.037

null

has coordinates

Ehrlich, Grant M.; Deng, Haibin; Hill, Laurie I.; Steigerwald, M. L.; Squattrito, Philip J.; DiSalvo, Francis J. Synthesis and Characterization of cis-[Mo~6~Cl~8~(Cl~4~)(P(C~2~H~5~)~3~)~2~] · 2THF Inorganic Chemistry 34(9) (1995) 2480-2482

199,666

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-08-09 08:17:50 +0300 (Wed, 09 Aug 2017) $ #$Revision: 199666 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/00/2000039.cif $ #-------------------------------------------------------------------...

7,015,079

22.2072

0.0007

13.016

0.0005

11.4239

0.0007

90

null

90

null

90

null

3,302.1

0.3

294

2

294

2

null

5

A b a 2

A 2 -2ab

41

- C17 H14 N2 O6 Zn -

- C136 H112 N16 O48 Zn8 -

8

null

Fang, Shao-Ming; Hu, Min; Zhang, Qiang; Du, Miao; Liu, Chun-Sen

Ag(I) and Zn(II) coordination polymers with a bulky naphthalene-based dicarboxyl tecton and different 4,4'-bipyridyl-like bridging co-ligands: structural regulation and properties.

Dalton transactions (Cambridge, England : 2003)

2,011

40

17

4527

4541

10.1039/c0dt00903b

0.71073

MoKα

0.0487

0.0325

null

0.0672

0.0691

null

1.001

null

has coordinates

Fang, Shao-Ming; Hu, Min; Zhang, Qiang; Du, Miao; Liu, Chun-Sen Ag(I) and Zn(II) coordination polymers with a bulky naphthalene-based dicarboxyl tecton and different 4,4'-bipyridyl-like bridging co-ligands: structural regulation and properties. Dalton transactions (Cambridge, England : 2003) 40(17) (2011) 4527-4541

179,854

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-25 13:37:44 +0200 (Fri, 25 Mar 2016) $ #$Revision: 179854 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/50/7015079.cif $ #-------------------------------------------------------------------...

2,000,040

9.404

0.002

10.725

0.005

11.905

0.006

114.43

0.03

90.52

0.03

109.07

0.03

1,018.6

null

5

P -1

-P 1

2

- C30 H30 N6 S8 W6 -

- C60 H60 N12 S16 W12 -

1

0.5

Ehrlich, Grant M.; Warren, Christopher J.; Vennos, Deborah A.; Ho, Douglas M.; Haushalter, Robert C.; DiSalvo, Francis J.

Synthesis, Structure, and Characterization of N-Ligated W~6~S~8~L~6~ Cluster Complexes

Inorganic Chemistry

1,995

34

17

4454

4459

10.1021/ic00121a025

null

0.0525

null

0.0525

null

has coordinates

Ehrlich, Grant M.; Warren, Christopher J.; Vennos, Deborah A.; Ho, Douglas M.; Haushalter, Robert C.; DiSalvo, Francis J. Synthesis, Structure, and Characterization of N-Ligated W~6~S~8~L~6~ Cluster Complexes Inorganic Chemistry 34(17) (1995) 4454-4459

199,666

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-08-09 08:17:50 +0300 (Wed, 09 Aug 2017) $ #$Revision: 199666 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/00/2000040.cif $ #-------------------------------------------------------------------...

2,000,041

25.043

0.008

21.253

0.007

13.188

0.006

90

null

90

null

90

null

7,019.17

null

7

P b c a

-P 2ac 2ab

61

- C16 H30 Cl32 Mo6 N6 O2 Sb4 -

- C28 Cl40 Mo12 N12 O2 Sb4 -

- C112 Cl160 Mo48 N48 O8 Sb16 -

4

0.5

Ehrlich, Grant M.; Warren, Christopher J.; Haushalter, Robert C.; DiSalvo, Francis J.

Preparation and Structure of [Mo~6~Cl~8~(CH~3~CN)~6~](SbCl~6~)~4~ · 2EtOH

Inorganic Chemistry

1,995

34

16

4284

4286

10.1021/ic00120a042

null

0.066

null

0.066

null

has coordinates

Ehrlich, Grant M.; Warren, Christopher J.; Haushalter, Robert C.; DiSalvo, Francis J. Preparation and Structure of [Mo~6~Cl~8~(CH~3~CN)~6~](SbCl~6~)~4~ · 2EtOH Inorganic Chemistry 34(16) (1995) 4284-4286

199,666

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-08-09 08:17:50 +0300 (Wed, 09 Aug 2017) $ #$Revision: 199666 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/00/2000041.cif $ #-------------------------------------------------------------------...

2,000,042

26.752

0.006

26.752

0.006

9.436

0.003

90

null

90

null

90

null

6,753.06

null

5

P 42/n :2

-P 4bc

86

- C54 H78 N6 S8 W6 -

- C108 H156 N12 S16 W12 -

- C432 H624 N48 S64 W48 -

4

0.5

Ehrlich, Grant M.; Warren, Christopher J.; Vennos, Deborah A.; Ho, Douglas M.; Haushalter, Robert C.; DiSalvo, Francis J.

Synthesis, Structure, and Characterization of N-Ligated W~6~S~8~L~6~ Cluster Complexes

Inorganic Chemistry

1,995

34

17

4454

4459

10.1021/ic00121a025

null

0.028

null

0.028

null

has coordinates

Ehrlich, Grant M.; Warren, Christopher J.; Vennos, Deborah A.; Ho, Douglas M.; Haushalter, Robert C.; DiSalvo, Francis J. Synthesis, Structure, and Characterization of N-Ligated W~6~S~8~L~6~ Cluster Complexes Inorganic Chemistry 34(17) (1995) 4454-4459

199,666

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-08-09 08:17:50 +0300 (Wed, 09 Aug 2017) $ #$Revision: 199666 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/00/2000042.cif $ #-------------------------------------------------------------------...

2,000,043

16.1816

0.0004

15.9178

0.0004

29.4907

0.0008

90

null

91.4768

0.001

90

null

7,593.56

null

173

null

6

P 1 21/c 1

-P 2ybc

14

- C69 H98 N5 P S8 W6 -

- C77 H122 N5 P S8 W6 -

- C308 H488 N20 P4 S32 W24 -

4

1

Jin, Song; Adamchuk, Jennifer; Xiang, Bosong; DiSalvo, Francis J.

The Dean-Evans Relation in ^31^P NMR Spectroscopy and Its Application to the Chemistry of Octahedral Tungsten Sulfide Clusters

Journal of the American Chemical Society

2,002

124

31

9229

9240

10.1021/ja0257873

null

0.0571

null

0.0571

null

has coordinates

Jin, Song; Adamchuk, Jennifer; Xiang, Bosong; DiSalvo, Francis J. The Dean-Evans Relation in ^31^P NMR Spectroscopy and Its Application to the Chemistry of Octahedral Tungsten Sulfide Clusters Journal of the American Chemical Society 124(31) (2002) 9229-9240

199,666

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-08-09 08:17:50 +0300 (Wed, 09 Aug 2017) $ #$Revision: 199666 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/00/2000043.cif $ #-------------------------------------------------------------------...

2,000,044

15.8389

0.0012

19.4806

0.0014

20.0882

0.0015

90

null

95.542

0.002

90

null

6,169.27

null

173

null

6

P 1 21/n 1

-P 2yn

14

- C42 H86 N2 P4 S8 W6 -

- C168 H344 N8 P16 S32 W24 -

4

1

Song Jin; Jennifer Adamchuk; Bosong Xiang; Francis J. DiSalvo

The Dean-Evans Relation in 31P NMR Spectroscopy and Its Application to the Chemistry of Octahedral Tungsten Sulfide Clusters

Journal of the American Chemical Society

2,002

124

9229

9240

null

0.0388

null

0.0388

null

has coordinates,has disorder

Song Jin; Jennifer Adamchuk; Bosong Xiang; Francis J. DiSalvo The Dean-Evans Relation in 31P NMR Spectroscopy and Its Application to the Chemistry of Octahedral Tungsten Sulfide Clusters Journal of the American Chemical Society 124 (2002) 9229-9240

301,791

2025-08-18

23:14:58

#------------------------------------------------------------------------------ #$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/2/00/00/2000044.cif $ #-------------------------------------------------------------------...

2,000,045

12.024

0.003

21.356

0.005

25.107

0.005

112.39

0.02

92.58

0.02

90.68

0.03

5,952.08

null

173

null

6

P -1

-P 1

2

- C40 H83 N2 P5 S8 W6 -

- C160 H332 N8 P20 S32 W24 -

4

2

Song Jin; Jennifer Adamchuk; Bosong Xiang; Francis J. DiSalvo

The Dean-Evans Relation in 31P NMR Spectroscopy and Its Application to the Chemistry of Octahedral Tungsten Sulfide Clusters

Journal of the American Chemical Society

2,002

124

9229

9240

10.1021/ja0257873

null

0.0712

null

0.0712

null

has coordinates

Song Jin; Jennifer Adamchuk; Bosong Xiang; Francis J. DiSalvo The Dean-Evans Relation in 31P NMR Spectroscopy and Its Application to the Chemistry of Octahedral Tungsten Sulfide Clusters Journal of the American Chemical Society 124 (2002) 9229-9240

277,834

2022-09-14

16:39:42

#------------------------------------------------------------------------------ #$Date: 2022-09-14 19:38:48 +0300 (Wed, 14 Sep 2022) $ #$Revision: 277834 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/00/2000045.cif $ #-------------------------------------------------------------------...

2,000,046

21.323

0.006

10.26

0.003

10.271

0.003

90

null

110.5

0.05

90

null

2,104.73

null

4

P 1 21/a 1

-P 2yab

14

- C26 H20 N2 S -

- C104 H80 N8 S4 -

4

1

Averbuch-Pouchot, Marie-Therese; Durif, André; Banister, Arthur J.; Durrant, James A.; Halfpenny, Joan

Notes. Crystal structure of bis(diphenylmethyleneamino) monosulphide, S(N=CPh~2~)~2~

Journal of the Chemical Society, Dalton Transactions

1,982

null

1

221

223

10.1039/dt9820000221

null

0.035

null

0.035

null

has coordinates

Averbuch-Pouchot, Marie-Therese; Durif, André; Banister, Arthur J.; Durrant, James A.; Halfpenny, Joan Notes. Crystal structure of bis(diphenylmethyleneamino) monosulphide, S(N=CPh~2~)~2~ Journal of the Chemical Society, Dalton Transactions (issue 1) (1982) 221-223

301,791

2025-08-18

23:14:58

#------------------------------------------------------------------------------ #$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/2/00/00/2000046.cif $ #-------------------------------------------------------------------...

2,000,047

12.009

0.003

19.943

0.006

20.823

0.008

90

null

90

null

90

null

4,987.02

null

5

P 21 21 21

P 2ac 2ab

19

- C41 H32 Ir4 O12 P2 -

- C164 H128 Ir16 O48 P8 -

4

1

Tranqui, D.; Durif, A.; Eddine, M. N.; Lieto, J.; Rafalko, J. J.; Gates, B. C.

Structure of a tetrairidium cluster with a bridging diop ligand: 2,3-μ-[(+)-4,5-bis(diphenylphosphinomethyl)-2,2-dimethyl-1,3-dioxolane]- (P,P')-2,3;3,4;4,2-tri-m-carbonyl-1,1,1,2,3,4,4-heptacarbonyl- tetrahedro-tetrairidium

Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry

1,982

38

1916

1920

10.1107/S0567740882007596

null

0.045

null

0.045

null

has coordinates

Tranqui, D.; Durif, A.; Eddine, M. N.; Lieto, J.; Rafalko, J. J.; Gates, B. C. Structure of a tetrairidium cluster with a bridging diop ligand: 2,3-μ-[(+)-4,5-bis(diphenylphosphinomethyl)-2,2-dimethyl-1,3-dioxolane]- (P,P')-2,3;3,4;4,2-tri-m-carbonyl-1,1,1,2,3,4,4-heptacarbonyl- tetrahedro-tetrairidium Acta Crystallogr...

199,646

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-08-08 16:56:54 +0300 (Tue, 08 Aug 2017) $ #$Revision: 199646 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/00/2000047.cif $ #-------------------------------------------------------------------...

2,000,048

14.038

0.008

13.906

0.008

9.961

0.002

90

null

90

null

90

null

1,944.51

null

6

P 21 21 21

P 2ac 2ab

19

Triguanidinium phosphate - guanidinium chloride - water (1/1/2)

- C4 H28 Cl N12 O6 P -

- C16 H112 Cl4 N48 O24 P4 -

4

1

Averbuch-Pouchot, M.-T.; Durif, A.

Synthesis and crystal structure of an adduct between guanidinium monophosphate and guanidinium chloride: [C(NH2)3]3PO4 · [C(NH2)3]Cl · 2H2O

Comptes Rendus de l'Academie des Sciences, Serie II: Mecanique, Physique, Chimie, Sciences de la Terre et de l'Univers

1,993

317

9

1179

1184

null

0.045

null

0.045

null

1,007,221

null

has coordinates

Averbuch-Pouchot, M.-T.; Durif, A. Synthesis and crystal structure of an adduct between guanidinium monophosphate and guanidinium chloride: [C(NH2)3]3PO4 · [C(NH2)3]Cl · 2H2O Comptes Rendus de l'Academie des Sciences, Serie II: Mecanique, Physique, Chimie, Sciences de la Terre et de l'Univers 317(9) (1993) 1179-1184

199,772

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-08-15 21:05:01 +0300 (Tue, 15 Aug 2017) $ #$Revision: 199772 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/00/2000048.cif $ #-------------------------------------------------------------------...

2,000,049

7.924

0.003

12.154

0.005

7.188

0.003

90

null

110.67

0.08

90

null

647.702

null

120

null

5

P 1 21/n 1

-P 2yn

14

- C4 H18 N2 O11 Te -

- C4 H26 N2 O18 Te -

- C8 H52 N4 O36 Te2 -

2

0.5

Qui, D. T.; Vicat, J.; Durif, A.

Structure of telluric acid-glycine (1:2) monohydrate, Te(OH)~6~ . 2C~2~H~5~NO~2~ . H2O, at 120 K and determination of hydrogen positions

Acta Crystallographica, Section C: Crystal Structure Communications

1,984

40

1

181

184

10.1107/s0108270184003504

null

0.02

null

0.02

null

has coordinates

Qui, D. T.; Vicat, J.; Durif, A. Structure of telluric acid-glycine (1:2) monohydrate, Te(OH)~6~ . 2C~2~H~5~NO~2~ . H2O, at 120 K and determination of hydrogen positions Acta Crystallographica, Section C: Crystal Structure Communications 40(1) (1984) 181-184

199,648

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-08-08 18:53:33 +0300 (Tue, 08 Aug 2017) $ #$Revision: 199648 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/00/2000049.cif $ #-------------------------------------------------------------------...

2,000,050

8.059

0.003

11.819

0.005

7.513

0.003

90

null

110.12

0.05

90

null

671.938

null

5

P 1 21/a 1

-P 2yab

14

Ethylene-1,2-diammonium monohydrogen phosphate

- C2 H11 N2 O4 P -

- C8 H44 N8 O16 P4 -

4

1

Averbuch-Pouchot, M. T.; Durif, A.

Structures of ethylenediammonium monohydrogentetraoxophosphate(V) and ethylenediammonium monohydrogentetraoxoarsenate(V)

Acta Crystallographica, Section C: Crystal Structure Communications

1,987

43

10

1894

1896

10.1107/S0108270187089716

null

0.03

null

0.03

null

has coordinates

Averbuch-Pouchot, M. T.; Durif, A. Structures of ethylenediammonium monohydrogentetraoxophosphate(V) and ethylenediammonium monohydrogentetraoxoarsenate(V) Acta Crystallographica, Section C: Crystal Structure Communications 43(10) (1987) 1894-1896

301,791

2025-08-18

23:14:58

#------------------------------------------------------------------------------ #$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/2/00/00/2000050.cif $ #-------------------------------------------------------------------...

2,000,051

10.65

0.005

7.873

0.001

8.358

0.001

90

null

109.76

0.03

90

null

659.532

null

5

P 1 21/c 1

-P 2ybc

14

Ethylene-1,2-diammonium monohydrogen phosphate

- C2 H11 N2 O4 P -

- C4 H21 N4 O4 P -

- C16 H84 N16 O16 P4 -

4

1

Averbuch-Pouchot, M.-T.; Durif, A.

Crystal-structure of a new form of ethyle nediammonium monohydrogen-monophosphate - [C~2~N~2~H~10~]HPO~4~(II)

Comptes Rendus de l'Academie des Sciences, Serie II: Mecanique, Physique, Chimie, Sciences de la Terre et de l'Univers

1,993

317

3

325

331

null

0.031

null

0.031

null

has coordinates

Averbuch-Pouchot, M.-T.; Durif, A. Crystal-structure of a new form of ethyle nediammonium monohydrogen-monophosphate - [C~2~N~2~H~10~]HPO~4~(II) Comptes Rendus de l'Academie des Sciences, Serie II: Mecanique, Physique, Chimie, Sciences de la Terre et de l'Univers 317(3) (1993) 325-331

199,750

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-08-15 04:09:12 +0300 (Tue, 15 Aug 2017) $ #$Revision: 199750 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/00/2000051.cif $ #-------------------------------------------------------------------...

2,000,052

9.405

0.003

14.531

0.003

10.578

0.004

90

null

110.24

0.03

90

null

1,356.4

0.7

293

null

293

null

5

P 1 21 1

P 2yb

4

- C30 H32 N2 O P2 -

- C60 H64 N4 O2 P4 -

2

1

Robert, Frédéric; Gimbert, Yves; Averbuch, Marie-Thérèse; Durif, André; Greene, Andrew

Crystal structure of (S)-1-[bis(diphenylphosphino)amino]-2-(methoxymethyl) pyrrolidine, C~30~H~32~N~2~OP~2~

Zeitschrift für Kristallographie - New Crystal Structures

1,999

214

4

581

582

10.1515/ncrs-1999-0490

null

0.0409

null

0.0287

null

8,101,595

null

has coordinates

Robert, Frédéric; Gimbert, Yves; Averbuch, Marie-Thérèse; Durif, André; Greene, Andrew Crystal structure of (S)-1-[bis(diphenylphosphino)amino]-2-(methoxymethyl) pyrrolidine, C~30~H~32~N~2~OP~2~ Zeitschrift für Kristallographie - New Crystal Structures 214(4) (1999) 581-582

209,651

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2018-08-13 19:34:43 +0300 (Mon, 13 Aug 2018) $ #$Revision: 209651 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/00/2000052.cif $ #-------------------------------------------------------------------...

2,000,053

10.734

0.004

10.734

0.004

35.245

0.006

90

null

90

null

120

null

3,516.83

null

6

P 31 2 1

P 31 2"

152

Chloro-bis((-)ephedrene)-palladium(ii)

- C20 H29 Cl N2 O2 Pd -

- C120 H174 Cl6 N12 O12 Pd6 -

6

1

Bouquillon, S.; du Moulinet d'Hardemare, A.; Averbuch-Pouchot, M.-T.; Hénin, F.; Muzart, J.; Durif, A.

A coordination compound of (‒)-ephedrine and palladium(II)

Acta Crystallographica, Section C: Crystal Structure Communications

1,999

55

12

2028

2030

10.1107/s0108270199011555

null

0.03

null

0.03

null

has coordinates

Bouquillon, S.; du Moulinet d'Hardemare, A.; Averbuch-Pouchot, M.-T.; Hénin, F.; Muzart, J.; Durif, A. A coordination compound of (‒)-ephedrine and palladium(II) Acta Crystallographica, Section C: Crystal Structure Communications 55(12) (1999) 2028-2030

199,776

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-08-16 02:34:43 +0300 (Wed, 16 Aug 2017) $ #$Revision: 199776 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/00/2000053.cif $ #-------------------------------------------------------------------...

2,000,054

7.467

0.002

6.802

0.001

9.673

0.003

90

null

108.07

0.02

90

null

467.065

null

293

null

4

P 1 21 1

P 2yb

4

- C9 H12 N2 O5 -

- C18 H24 N4 O10 -

2

1

Averbuch-Pouchot, M.-T.; Durif, A.; Renard, A.; Kotera, M.; Lhomme, J.

(3S,2R)-3-Hydroxy-2-hydroxymethyl-7,9-diazaspiro[4.5]decane-6,8,10-trione

Acta Crystallographica Section E

2,002

58

3

o256

o258

10.1107/S1600536802002337

null

0.0386

null

0.0386

null

has coordinates

Averbuch-Pouchot, M.-T.; Durif, A.; Renard, A.; Kotera, M.; Lhomme, J. (3S,2R)-3-Hydroxy-2-hydroxymethyl-7,9-diazaspiro[4.5]decane-6,8,10-trione Acta Crystallographica Section E 58(3) (2002) o256-o258

301,791

2025-08-18

23:14:58

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2,000,055

10.433

0.009

8.163

0.006

8.062

0.006

90

null

90.33

0.07

90

null

686.585

null

5

P 1 21/c 1

-P 2ybc

14

- C2 H11 As N2 O4 -

- C4 H21 As N4 O4 -

- C16 H84 As4 N16 O16 -

4

1

Averbuch-Pouchot, M. T.; Durif, A.

Structures of ethylenediammonium monohydrogentetraoxophosphate(V) and ethylenediammonium monohydrogentetraoxoarsenate(V)

Acta Crystallographica, Section C: Crystal Structure Communications

1,987

43

10

1894

1896

10.1107/s0108270187089716

null

0.038

null

0.038

null

has coordinates

Averbuch-Pouchot, M. T.; Durif, A. Structures of ethylenediammonium monohydrogentetraoxophosphate(V) and ethylenediammonium monohydrogentetraoxoarsenate(V) Acta Crystallographica, Section C: Crystal Structure Communications 43(10) (1987) 1894-1896

199,648

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-08-08 18:53:33 +0300 (Tue, 08 Aug 2017) $ #$Revision: 199648 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/00/2000055.cif $ #-------------------------------------------------------------------...

7,015,078

7.2752

0.0007

13.8489

0.0015

15.5737

0.0014

84.229

0.008

88.532

0.007

84.578

0.008

1,554

0.3

294

2

294

2

null

5

P -1

-P 1

2

- C68 H42 N4 O18 Zn5 -

1

0.5

Fang, Shao-Ming; Hu, Min; Zhang, Qiang; Du, Miao; Liu, Chun-Sen

Ag(I) and Zn(II) coordination polymers with a bulky naphthalene-based dicarboxyl tecton and different 4,4'-bipyridyl-like bridging co-ligands: structural regulation and properties.

Dalton transactions (Cambridge, England : 2003)

2,011

40

17

4527

4541

10.1039/c0dt00903b

0.71073

MoKα

0.0812

0.0456

null

0.084

0.0866

null

1.061

null

has coordinates

Fang, Shao-Ming; Hu, Min; Zhang, Qiang; Du, Miao; Liu, Chun-Sen Ag(I) and Zn(II) coordination polymers with a bulky naphthalene-based dicarboxyl tecton and different 4,4'-bipyridyl-like bridging co-ligands: structural regulation and properties. Dalton transactions (Cambridge, England : 2003) 40(17) (2011) 4527-4541

179,854

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-25 13:37:44 +0200 (Fri, 25 Mar 2016) $ #$Revision: 179854 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/50/7015078.cif $ #-------------------------------------------------------------------...

2,000,056

11.699

0.009

10.164

0.009

6.835

0.004

90

null

105

0.05

90

null

785.047

null

6

P 1 21/c 1

-P 2ybc

14

- C2 H24 N2 Na2 O14 P2 -

- C4 H34 N4 Na2 O14 P2 -

- C8 H68 N8 Na4 O28 P4 -

2

0.5

Averbuch-Pouchot, M. T.; Durif, A.; Guitel, J. C.

Structure of disodium ethylenediammonium bis[monohydrogentetraoxophosphate(V)] hexahydrate

Acta Crystallographica, Section C: Crystal Structure Communications

1,987

43

10

1896

1898

10.1107/s0108270187089704

null

0.022

null

0.022

null

has coordinates

Averbuch-Pouchot, M. T.; Durif, A.; Guitel, J. C. Structure of disodium ethylenediammonium bis[monohydrogentetraoxophosphate(V)] hexahydrate Acta Crystallographica, Section C: Crystal Structure Communications 43(10) (1987) 1896-1898

199,648

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-08-08 18:53:33 +0300 (Tue, 08 Aug 2017) $ #$Revision: 199648 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/00/2000056.cif $ #-------------------------------------------------------------------...

2,000,057

12.223

0.008

14.52

0.01

10.229

0.007

90

null

100.47

0.05

90

null

1,785.2

null

5

P 1 21/c 1

-P 2ybc

14

- C6 H18 N3 O15 P3 -

- C24 H72 N12 O60 P12 -

4

1

Averbuch-Pouchot, M. T.; Durif, A.; Guitel, J. C.

Structures of glycine monophosphate and glycine cyclo-triphosphate

Acta Crystallographica, Section C: Crystal Structure Communications

1,988

44

1

99

102

10.1107/s0108270187008539

null

0.03

null

0.03

null

has coordinates

Averbuch-Pouchot, M. T.; Durif, A.; Guitel, J. C. Structures of glycine monophosphate and glycine cyclo-triphosphate Acta Crystallographica, Section C: Crystal Structure Communications 44(1) (1988) 99-102

301,791

2025-08-18

23:14:58

#------------------------------------------------------------------------------ #$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/2/00/00/2000057.cif $ #-------------------------------------------------------------------...

2,000,058

12.144

0.007

15.361

0.005

7.203

0.007

90

null

97.32

0.08

90

null

1,332.72

null

5

P 1 21/n 1

-P 2yn

14

- C3 H18 N3 O9 P3 -

- C12 H72 N12 O36 P12 -

4

1

Averbuch-Pouchot, M. T.; Durif, A.; Guitel, J. C.

Structure of tris(methylammonium) cyclo-triphosphate

Acta Crystallographica, Section C: Crystal Structure Communications

1,988

44

1

97

98

10.1107/s0108270187008515

null

0.024

null

0.024

null

has coordinates

Averbuch-Pouchot, M. T.; Durif, A.; Guitel, J. C. Structure of tris(methylammonium) cyclo-triphosphate Acta Crystallographica, Section C: Crystal Structure Communications 44(1) (1988) 97-98

301,791

2025-08-18

23:14:58

#------------------------------------------------------------------------------ #$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/2/00/00/2000058.cif $ #-------------------------------------------------------------------...

2,000,059

8.923

0.005

14.383

0.009

8.362

0.005

90

null

90

null

90

null

1,073.18

null

5

P 21 21 21

P 2ac 2ab

19

- C6 H14 N3 O7 P -

- C24 H56 N12 O28 P4 -

4

1

Averbuch-Pouchot, M. T.; Durif, A.; Guitel, J. C.

Structure of L-histidinium dihydrogenmonophosphate monohydrate

Acta Crystallographica Section, C: Crystal Structure Communications

1,988

44

5

890

892

10.1107/S0108270188000927

null

0.036

null

0.036

null

has coordinates

Averbuch-Pouchot, M. T.; Durif, A.; Guitel, J. C. Structure of L-histidinium dihydrogenmonophosphate monohydrate Acta Crystallographica Section, C: Crystal Structure Communications 44(5) (1988) 890-892

301,791

2025-08-18

23:14:58

#------------------------------------------------------------------------------ #$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/2/00/00/2000059.cif $ #-------------------------------------------------------------------...

2,000,060

7.988

0.005

8.449

0.005

9.739

0.005

111.64

0.05

105.27

0.05

99.4

0.05

563.986

null

5

P -1

-P 1

2

- C8 H24 N4 O20 P4 -

1

0.5

Averbuch-Pouchot, M. T.; Durif, A.; Guitel, J. C.

Structure of glycine cyclo-tetraphosphate

Acta Crystallographica, Section C: Crystal Structure Communications

1,988

44

5

888

890

10.1107/s0108270188000496

null

0.025

null

0.025

null

has coordinates

Averbuch-Pouchot, M. T.; Durif, A.; Guitel, J. C. Structure of glycine cyclo-tetraphosphate Acta Crystallographica, Section C: Crystal Structure Communications 44(5) (1988) 888-890

301,791

2025-08-18

23:14:58

#------------------------------------------------------------------------------ #$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/2/00/00/2000060.cif $ #-------------------------------------------------------------------...

2,000,061

10.941

0.009

21.46

0.02

14.53

0.01

90

null

90

null

90

null

3,411.55

null

4

C 2 c b

C -2ac 2

41

- C38 H40 N4 O4 -

- C76 H56 N8 O8 -

- C304 H224 N32 O32 -

4

null

Baret, P.; Moneta, W.; Pierre, J. L.; Averbuch-Pouchot, M. T.; Durif, A.

Structure of a Schiff-base macrocycle containing convergent methoxy groups

Acta Crystallographica, Section C: Crystal Structure Communications

1,988

44

7

1254

1256

10.1107/s0108270188003592

null

0.055

null

0.055

null

has coordinates

Baret, P.; Moneta, W.; Pierre, J. L.; Averbuch-Pouchot, M. T.; Durif, A. Structure of a Schiff-base macrocycle containing convergent methoxy groups Acta Crystallographica, Section C: Crystal Structure Communications 44(7) (1988) 1254-1256

199,666

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-08-09 08:17:50 +0300 (Wed, 09 Aug 2017) $ #$Revision: 199666 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/00/2000061.cif $ #-------------------------------------------------------------------...

2,000,062

14.611

0.003

18.709

0.003

7.861

0.002

90

null

90

null

90

null

2,148.86

null

6

P n m a

-P 2ac 2n

62

- C2 H25 Ca N2 O19.5 P4 -

- C4 H36 Ca N4 O33 P8 -

- C16 H144 Ca4 N16 O132 P32 -

4

0.5

Averbuch-Pouchot, M. T.; Durif, A.; Guitel, J. C.

Structure of a calcium ethylenediammonium cyclotetraphosphate hydrate

Acta Crystallographica, Section C: Crystal Structure Communications

1,988

44

7

1189

1191

10.1107/s0108270188003622

null

0.031

null

0.031

null

has coordinates

Averbuch-Pouchot, M. T.; Durif, A.; Guitel, J. C. Structure of a calcium ethylenediammonium cyclotetraphosphate hydrate Acta Crystallographica, Section C: Crystal Structure Communications 44(7) (1988) 1189-1191

199,666

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-08-09 08:17:50 +0300 (Wed, 09 Aug 2017) $ #$Revision: 199666 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/00/2000062.cif $ #-------------------------------------------------------------------...

2,000,063

10.746

0.008

10.746

0.008

10.071

0.008

90

null

90

null

90

null

1,162.96

null

5

I -4

82

- C8 H32 N4 O16 P4 -

- C8 H32 N4 O52 P16 -

- C16 H64 N8 O104 P32 -

2

0.25

Averbuch-Pouchot, M. T.; Durif, A.; Guitel, J. C.

Structure of ethanolammonium cyclo-tetraphosphate

Acta Crystallographica, Section C: Crystal Structure Communications

1,988

44

8

1416

1418

10.1107/s0108270188003981

null

0.034

null

0.034

null

has coordinates

Averbuch-Pouchot, M. T.; Durif, A.; Guitel, J. C. Structure of ethanolammonium cyclo-tetraphosphate Acta Crystallographica, Section C: Crystal Structure Communications 44(8) (1988) 1416-1418

199,666

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-08-09 08:17:50 +0300 (Wed, 09 Aug 2017) $ #$Revision: 199666 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/00/2000063.cif $ #-------------------------------------------------------------------...

2,000,064

25.22

0.02

12.22

0.02

15.45

0.02

90

null

123.9

0.05

90

null

3,952.11

null

5

C 1 2 1

C 2y

5

- C9 H30 N3 O9 P3 -

- C72 H240 N24 O72 P24 -

8

2

Averbuch-Pouchot, M. T.; Durif, A.; Guitel, J. C.

Structure of isopropylammonium cyclo-triphosphate

Acta Crystallographica, Section C: Crystal Structure Communications

1,988

44

11

1907

1909

10.1107/S0108270188008510

null

0.039

null

0.039

null

has coordinates

Averbuch-Pouchot, M. T.; Durif, A.; Guitel, J. C. Structure of isopropylammonium cyclo-triphosphate Acta Crystallographica, Section C: Crystal Structure Communications 44(11) (1988) 1907-1909

301,791

2025-08-18

23:14:58

#------------------------------------------------------------------------------ #$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/2/00/00/2000064.cif $ #-------------------------------------------------------------------...

2,000,065

20.85

0.008

9.044

0.004

11.653

0.005

90

null

90

null

90

null

2,197.38

null

6

C c c a :2

-C 2a 2ac

68

- C2 H10 K N2 O9 P3 -

- C4 H20 K N4 O17 P5 -

- C32 H160 K8 N32 O136 P40 -

8

0.5

Averbuch-Pouchot, M. T.; Durif, A.

Structure of potassium ethylenediammonium cyclo-triphosphate

Acta Crystallographica, Section C: Crystal Structure Communications

1,988

44

11

1909

1911

10.1107/s0108270188008522

null

0.038

null

0.038

null

has coordinates

Averbuch-Pouchot, M. T.; Durif, A. Structure of potassium ethylenediammonium cyclo-triphosphate Acta Crystallographica, Section C: Crystal Structure Communications 44(11) (1988) 1909-1911

199,666

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-08-09 08:17:50 +0300 (Wed, 09 Aug 2017) $ #$Revision: 199666 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/00/2000065.cif $ #-------------------------------------------------------------------...

2,000,066

9.58

0.002

7.84

0.002

9.249

0.003

90

null

114.7

0.2

90

null

631.11

null

5

P 1 21/c 1

-P 2ybc

14

- C2 H8 N O6 P -

- C8 H32 N4 O24 P4 -

4

1

Averbuch-Pouchot, M. T.; Durif, A.; Guitel, J. C.

Structures of glycine monophosphate and glycine cyclo-triphosphate

Acta Crystallographica, Section C: Crystal Structure Communications

1,988

44

1

99

102

10.1107/s0108270187008539

null

0.024

null

0.024

null

has coordinates

Averbuch-Pouchot, M. T.; Durif, A.; Guitel, J. C. Structures of glycine monophosphate and glycine cyclo-triphosphate Acta Crystallographica, Section C: Crystal Structure Communications 44(1) (1988) 99-102

301,791

2025-08-18

23:14:58

#------------------------------------------------------------------------------ #$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/2/00/00/2000066.cif $ #-------------------------------------------------------------------...

2,000,067

9.003

0.001

8.772

0.001

8.151

0.001

107.82

0.03

93.16

0.03

94.14

0.03

609.212

null

5

P -1

-P 1

2

- C4 H18 N2 O9 P2 -

- C8 H36 N4 O18 P4 -

2

1

Averbuch-Pouchot, M. T.; Durif, A.

Crystal structure of bis(ethanolammonium)-dihydrogeno-diphosphate: (NH~3^-^~C~2~H~4^-^~OH)~2~H~2~P~2~O~7~

European Journal of Solid State and Inorganic Chemistry

1,992

29

3

411

418

null

0.035

null

0.035

null

has coordinates

Averbuch-Pouchot, M. T.; Durif, A. Crystal structure of bis(ethanolammonium)-dihydrogeno-diphosphate: (NH~3^-^~C~2~H~4^-^~OH)~2~H~2~P~2~O~7~ European Journal of Solid State and Inorganic Chemistry 29(3) (1992) 411-418

301,791

2025-08-18

23:14:58

#------------------------------------------------------------------------------ #$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/2/00/00/2000067.cif $ #-------------------------------------------------------------------...

2,000,068

25.475

0.005

10.767

0.002

19.046

0.004

90

null

112.54

0.02

90

null

4,825.06

null

5

C 1 2/c 1

-C 2yc

15

- C18 H68 N6 O32 V10 -

- C18 H68 N6 O60 V20 -

- C72 H272 N24 O240 V80 -

4

0.5

Averbuch-Pouchot, M. T.; Durif, A.

Preparation and crystal-structure of hexas (isopropylammonium) decavanadate tetrahydrate

European Journal of Solid State and Inorganic Chemistry

1,994

31

5

351

361

null

0.029

null

0.029

null

has coordinates

Averbuch-Pouchot, M. T.; Durif, A. Preparation and crystal-structure of hexas (isopropylammonium) decavanadate tetrahydrate European Journal of Solid State and Inorganic Chemistry 31(5) (1994) 351-361

182,180

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-04-17 07:01:57 +0300 (Sun, 17 Apr 2016) $ #$Revision: 182180 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/00/2000068.cif $ #-------------------------------------------------------------------...

2,000,069

10.816

0.002

14.329

0.004

7.473

0.001

100.85

0.02

91.39

0.02

90.02

0.02

1,137.13

null

5

P -1

-P 1

2

- C2 H8 N O3 V -

- C2 H8 N O3.25 V1.25 -

- C16 H64 N8 O26 V10 -

8

4

Averbuch-Pouchot, M.-T.; Durif, A.

Synthesis and crystal-structure of ethylammonium polyvanadate - C~2~H~5~NH~3~VO~3~

Comptes Rendus de l'Academie des Sciences, Serie IIb: Mecanique, Physique, Chimie, Astronomie

1,994

319

9

1013

1018

null

0.032

null

0.032

null

has coordinates

Averbuch-Pouchot, M.-T.; Durif, A. Synthesis and crystal-structure of ethylammonium polyvanadate - C~2~H~5~NH~3~VO~3~ Comptes Rendus de l'Academie des Sciences, Serie IIb: Mecanique, Physique, Chimie, Astronomie 319(9) (1994) 1013-1018

199,750

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-08-15 04:09:12 +0300 (Tue, 15 Aug 2017) $ #$Revision: 199750 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/00/2000069.cif $ #-------------------------------------------------------------------...

2,000,070

14.149

0.005

12.76

0.003

16.754

0.007

90

null

107.68

0.03

90

null

2,881.92

null

4

P 1 21/n 1

-P 2yn

14

- C18 H16 O S -

- C144 H128 O8 S8 -

8

2

Minassian, F.; Pelloux-Léon, N.; Durif, A.; Vallée, Y.

12-Formyl-9,10-dimethyl-9,10-dihydro-11-thia-9,10-ethanoanthracene

Acta Crystallographica, Section C: Crystal Structure Communications

1,999

55

5

781

783

10.1107/s010827019801782x

null

0.041

null

0.041

null

has coordinates

Minassian, F.; Pelloux-Léon, N.; Durif, A.; Vallée, Y. 12-Formyl-9,10-dimethyl-9,10-dihydro-11-thia-9,10-ethanoanthracene Acta Crystallographica, Section C: Crystal Structure Communications 55(5) (1999) 781-783

199,666

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-08-09 08:17:50 +0300 (Wed, 09 Aug 2017) $ #$Revision: 199666 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/00/2000070.cif $ #-------------------------------------------------------------------...

7,015,077

10.8248

0.0005

8.8552

0.0004

25.3482

0.0013

90

null

90

null

90

null

2,429.8

0.2

294

2

294

2

null

4

P b c a

-P 2ac 2ab

61

- C12 H10 O6 Zn -

- C96 H80 O48 Zn8 -

8

1

Fang, Shao-Ming; Hu, Min; Zhang, Qiang; Du, Miao; Liu, Chun-Sen

Ag(I) and Zn(II) coordination polymers with a bulky naphthalene-based dicarboxyl tecton and different 4,4'-bipyridyl-like bridging co-ligands: structural regulation and properties.

Dalton transactions (Cambridge, England : 2003)

2,011

40

17

4527

4541

10.1039/c0dt00903b

0.71073

MoKα

0.0637

0.0279

null

0.0473

0.0498

null

1.051

null

has coordinates

Fang, Shao-Ming; Hu, Min; Zhang, Qiang; Du, Miao; Liu, Chun-Sen Ag(I) and Zn(II) coordination polymers with a bulky naphthalene-based dicarboxyl tecton and different 4,4'-bipyridyl-like bridging co-ligands: structural regulation and properties. Dalton transactions (Cambridge, England : 2003) 40(17) (2011) 4527-4541

179,854

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-25 13:37:44 +0200 (Fri, 25 Mar 2016) $ #$Revision: 179854 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/50/7015077.cif $ #-------------------------------------------------------------------...

2,000,071

13.162

0.008

13.301

0.008

12.308

0.008

90

null

106.69

0.01

90

null

2,063.96

null

6

P 1 21/n 1

-P 2yn

14

- C6 H58 Cu N6 O38 P8 -

- C8 H66 Cu N6 O44 P8 -

- C16 H132 Cu2 N12 O88 P16 -

2

0.5

Averbuch-Pouchot, M. T.; Durif, A.

Structure of copper tris(ethylenediammonium) bis(cyclo-tetraphosphate) tetradecahydrate

Acta Crystallographica, Section C: Crystal Structure Communications

1,989

45

1

46

49

10.1107/s0108270188010431

null

0.037

null

0.037

null

has coordinates

Averbuch-Pouchot, M. T.; Durif, A. Structure of copper tris(ethylenediammonium) bis(cyclo-tetraphosphate) tetradecahydrate Acta Crystallographica, Section C: Crystal Structure Communications 45(1) (1989) 46-49

199,666

2020-10-21

18:00:00

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2,000,072

10.32

0.008

12.39

0.004

11.219

0.002

90

null

105.8

0.04

90

null

1,380.32

null

4

P 1 21/a 1

-P 2yab

14

- C12 H10 Cl4 O2 -

- C48 H40 Cl16 O8 -

4

1

Coquerel, Yoann; Blanc, Aurélien; Deprés, Jean-Pierre; Greene, Andrew E.; Averbuch-Pouchot, Marie-Thérèse; Philouze, Christian; Durif, André

(1R,2s,3S,6R,9S)-5,5,10,10-Tetrachloro-2-methyltricyclo[7.2.0.03,6]undec-7-ene-4,11-dione

Acta Crystallographica, Section C: Crystal Structure Communications

2,000

56

12

1480

1481

10.1107/s0108270100012361

null

0.05

null

0.05

null

has coordinates

Coquerel, Yoann; Blanc, Aurélien; Deprés, Jean-Pierre; Greene, Andrew E.; Averbuch-Pouchot, Marie-Thérèse; Philouze, Christian; Durif, André (1R,2s,3S,6R,9S)-5,5,10,10-Tetrachloro-2-methyltricyclo[7.2.0.03,6]undec-7-ene-4,11-dione Acta Crystallographica, Section C: Crystal Structure Communications 56(12) (2000) 1480-14...

199,666

2020-10-21

18:00:00

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2,000,073

9.136

0.004

11.029

0.005

12.238

0.005

100.37

0.02

111.79

0.02

111.04

0.02

996.406

null

4

P -1

-P 1

2

- C26 H19 N O4 -

- C52 H38 N2 O8 -

2

1

Einhorn, Cathy; Durif, André; Averbuch, Marie-Thérèse; Einhorn, Jacques

Solid-State Isomerization of Atropodiastereomers: Effective Diastereoselection through Polymorphic Transformations

Angewandte Chemie, International Edition in English

2,001

40

10

1926

1929

10.1002/1521-3773(20010518)40:10<1926::AID-ANIE1926>3.0.CO;2-3

null

0.0432

null

0.0432

null

has coordinates

Einhorn, Cathy; Durif, André; Averbuch, Marie-Thérèse; Einhorn, Jacques Solid-State Isomerization of Atropodiastereomers: Effective Diastereoselection through Polymorphic Transformations Angewandte Chemie, International Edition in English 40(10) (2001) 1926-1929

301,791

2025-08-18

23:14:58

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2,000,074

10.948

0.002

8.269

0.003

11.165

0.003

90

null

90.98

0.02

90

null

1,010.61

null

4

P 1 21/n 1

-P 2yn

14

- C26 H19 N O4 -

- C56 H32 N4 O12 -

- C112 H64 N8 O24 -

2

0.5

Einhorn, Cathy; Durif, André; Averbuch, Marie-Thérèse; Einhorn, Jacques

Solid-State Isomerization of Atropodiastereomers: Effective Diastereoselection through Polymorphic Transformations

Angewandte Chemie, International Edition in English

2,001

40

10

1926

1929

10.1002/1521-3773(20010518)40:10<1926::AID-ANIE1926>3.0.CO;2-3

null

0.065

null

0.065

null

has coordinates

Einhorn, Cathy; Durif, André; Averbuch, Marie-Thérèse; Einhorn, Jacques Solid-State Isomerization of Atropodiastereomers: Effective Diastereoselection through Polymorphic Transformations Angewandte Chemie, International Edition in English 40(10) (2001) 1926-1929

199,666

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-08-09 08:17:50 +0300 (Wed, 09 Aug 2017) $ #$Revision: 199666 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/00/2000074.cif $ #-------------------------------------------------------------------...

2,000,075

8.709

null

9.729

null

9.145

null

99.11

null

110.7

null

67.19

null

667.944

null

5

P -1

-P 1

2

- C8 H36 N6 O20 P6 -

- C8 H36 N6 O38 P12 -

1

0.5

Gharbi, A.; Jouini, A.; Durif, A.

Structural, DSC, and IR Studies on a New Organic-Cation Cyclohexaphosphate: [NH3-(CH2)2-NH2-(CH2)2-NH3]2P6O18 · 2H2O

Journal of Solid State Chemistry

1,995

114

1

42

51

10.1006/jssc.1995.1006

null

0.035

null

0.035

null

has coordinates

Gharbi, A.; Jouini, A.; Durif, A. Structural, DSC, and IR Studies on a New Organic-Cation Cyclohexaphosphate: [NH3-(CH2)2-NH2-(CH2)2-NH3]2P6O18 · 2H2O Journal of Solid State Chemistry 114(1) (1995) 42-51

199,750

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-08-15 04:09:12 +0300 (Tue, 15 Aug 2017) $ #$Revision: 199750 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/00/2000075.cif $ #-------------------------------------------------------------------...

2,000,076

11.812

0.006

10.67

0.005

9.986

0.004

110.04

0.05

111.49

0.05

67.88

0.05

1,053.84

null

5

P -1

-P 1

2

- C12 H52 N6 O36 V10 -

- C12 H52 N6 O64 V20 -

1

0.5

Averbuch-Pouchot, M. T.; Durif, A.

Crystal structure of hexakis(ethanolammonium) decavanadate dihydrate, (C~2~H~8~NO)~6~(V~10~O~28~)(H~2~O)~2~

Zeitschrift für Kristallographie - Crystalline Materials

1,995

210

2

156

157

10.1524/zkri.1995.210.2.156

null

0.034

null

0.034

null

has coordinates

Averbuch-Pouchot, M. T.; Durif, A. Crystal structure of hexakis(ethanolammonium) decavanadate dihydrate, (C~2~H~8~NO)~6~(V~10~O~28~)(H~2~O)~2~ Zeitschrift für Kristallographie - Crystalline Materials 210(2) (1995) 156-157

174,849

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-01-23 21:05:10 +0200 (Sat, 23 Jan 2016) $ #$Revision: 174849 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/00/2000076.cif $ #-------------------------------------------------------------------...

2,000,077

11.898

0.002

18.641

0.002

8.468

0.003

90

null

90

null

90

null

1,878.12

null

5

P n a 21

P 2c -2n

33

- C H6 N O3 V -

- C H6 N O3.25 V1.25 -

- C16 H96 N16 O52 V20 -

16

4

Averbuch-Pouchot, M.-T.; Durif, A.

Synthesis and crystal-structure of methyl ammonium polyvanadate CH~3~NH~3~VO~3~

Comptes Rendus de l'Academie des Sciences, Serie IIb: Mecanique, Physique, Chimie, Astronomie

1,994

318

1

1067

1072

null

0.028

null

0.028

null

has coordinates

Averbuch-Pouchot, M.-T.; Durif, A. Synthesis and crystal-structure of methyl ammonium polyvanadate CH~3~NH~3~VO~3~ Comptes Rendus de l'Academie des Sciences, Serie IIb: Mecanique, Physique, Chimie, Astronomie 318(1) (1994) 1067-1072

199,750

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-08-15 04:09:12 +0300 (Tue, 15 Aug 2017) $ #$Revision: 199750 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/00/2000077.cif $ #-------------------------------------------------------------------...

2,000,078

13.034

0.01

7.923

0.007

13.225

0.01

90

null

107.43

0.05

90

null

1,303.02

null

5

C 1 2/c 1

-C 2yc

15

- C2 H17 N2 O12 P3 -

- C4 H30 N4 O16 P3 -

- C16 H120 N16 O64 P12 -

4

0.5

Bagieu-Beucher, M.; Durif, A.; Guitel, J. C.

Structure of ethylenediammonium dihydrogentetraoxophosphate(V) pentahydrogenbis[tetraoxophosphate(V)]

Acta Crystallographica, Section C: Crystal Structure Communications

1,989

45

3

421

423

10.1107/s0108270188011977

null

0.024

null

0.024

null

has coordinates

Bagieu-Beucher, M.; Durif, A.; Guitel, J. C. Structure of ethylenediammonium dihydrogentetraoxophosphate(V) pentahydrogenbis[tetraoxophosphate(V)] Acta Crystallographica, Section C: Crystal Structure Communications 45(3) (1989) 421-423

199,750

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-08-15 04:09:12 +0300 (Tue, 15 Aug 2017) $ #$Revision: 199750 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/00/2000078.cif $ #-------------------------------------------------------------------...

2,000,079

16.115

0.02

5.829

0.002

8.019

0.005

90

null

93.3

0.06

90

null

752.01

null

5

P 1 21/n 1

-P 2yn

14

- C3 H10 N O6 P -

- C12 H40 N4 O24 P4 -

4

1

Averbuch-Pouchot, M. T.; Durif, A.; Guitel, J. C.

Structures of β-alanine, DL-alanine and sarcosine monophosphates

Acta Crystallographica, Section C: Crystal Structure Communications

1,988

44

11

1968

1972

10.1107/s0108270188000502

null

0.038

null

0.038

null

has coordinates

Averbuch-Pouchot, M. T.; Durif, A.; Guitel, J. C. Structures of β-alanine, DL-alanine and sarcosine monophosphates Acta Crystallographica, Section C: Crystal Structure Communications 44(11) (1988) 1968-1972

301,791

2025-08-18

23:14:58

#------------------------------------------------------------------------------ #$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/2/00/00/2000079.cif $ #-------------------------------------------------------------------...

2,000,080

14.442

0.007

10.352

0.006

9.062

0.004

90

null

119.08

0.04

90

null

1,184.02

null

5

C 1 2/c 1

-C 2yc

15

- C6 H17 N2 O8 P -

- C6 H20 N2 O12 P -

- C24 H80 N8 O48 P4 -

4

0.5

Averbuch-Pouchot, M. T.; Durif, A.; Guitel, J. C.

Structures of β-alanine, DL-alanine and sarcosine monophosphates

Acta Crystallographica, Section C: Crystal Structure Communications

1,988

44

11

1968

1972

10.1107/s0108270188000502

null

0.032

null

0.032

null

has coordinates

Averbuch-Pouchot, M. T.; Durif, A.; Guitel, J. C. Structures of β-alanine, DL-alanine and sarcosine monophosphates Acta Crystallographica, Section C: Crystal Structure Communications 44(11) (1988) 1968-1972

199,750

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-08-15 04:09:12 +0300 (Tue, 15 Aug 2017) $ #$Revision: 199750 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/00/2000080.cif $ #-------------------------------------------------------------------...

2,000,081

13.18

0.008

9.275

0.003

6.245

0.002

90

null

90

null

90

null

763.417

null

5

P 21 21 21

P 2ac 2ab

19

- C3 H10 N O6 P -

- C12 H40 N4 O24 P4 -

4

1

Averbuch-Pouchot, M. T.; Durif, A.; Guitel, J. C.

Structures of β-alanine, DL-alanine and sarcosine monophosphates

Acta Crystallographica, Section C: Crystal Structure Communications

1,988

44

11

1968

1972

10.1107/s0108270188000502

null

0.023

null

0.023

null

has coordinates

Averbuch-Pouchot, M. T.; Durif, A.; Guitel, J. C. Structures of β-alanine, DL-alanine and sarcosine monophosphates Acta Crystallographica, Section C: Crystal Structure Communications 44(11) (1988) 1968-1972

301,791

2025-08-18

23:14:58

#------------------------------------------------------------------------------ #$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/2/00/00/2000081.cif $ #-------------------------------------------------------------------...