Crystallography Open Database

Information card for entry 2225741

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Structure parameters

Chemical name	Poly[di-μ~2~-chlorido-dichlorido(μ~3~-dimethyl sulfoxide-κ^3^<i>O</i>:<i>O</i>:<i>S</i>)(μ~2~-dimethyl sulfoxide-κ^2^<i>O</i>:<i>S</i>)ruthenium(III)sodium]
Formula	C4 H12 Cl4 Na O2 Ru S2
Calculated formula	C4 H12 Cl4 Na O2 Ru S2
SMILES	[Ru]([S](=O)(C)C)([S](=O)(C)C)(Cl)(Cl)(Cl)Cl.[Na+]
Title of publication	Poly[di-μ~2~-chlorido-dichlorido(μ~3~-dimethyl sulfoxide-κ^3^<i>O</i>:<i>O</i>:<i>S</i>)(μ~2~-dimethyl sulfoxide-κ^2^<i>O</i>:<i>S</i>)ruthenium(III)sodium]
Authors of publication	Trávníček, Zdeněk; Matiková-Maľarová, Miroslava
Journal of publication	Acta Crystallographica Section E
Year of publication	2010
Journal volume	66
Journal issue	4
Pages of publication	m348 - m349
a	11.9042 ± 0.0003 Å
b	8.0692 ± 0.0002 Å
c	13.7873 ± 0.0003 Å
α	90°
β	98.47 ± 0.002°
γ	90°
Cell volume	1309.93 ± 0.05 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.022
Residual factor for significantly intense reflections	0.0183
Weighted residual factors for significantly intense reflections	0.0473
Weighted residual factors for all reflections included in the refinement	0.0501
Goodness-of-fit parameter for all reflections included in the refinement	1.146
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181178 (current)	2016-04-03	hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/57.	2225741.cif 2225741.hkl
176789	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22.	2225741.cif 2225741.hkl
120072	2014-07-11	Adding DOIs to range 2 structures.	2225741.cif 2225741.hkl
88064	2013-08-29	Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet.	2225741.cif 2225741.hkl
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2225741.cif 2225741.hkl
1157	2010-05-06	hkl/ Adding Fobs data for the recent IUCr deposition.	2225741.cif 2225741.hkl
1144	2010-05-03	cif/2/ Adding CIFs from Acta-Cryst-E-2010_04/ deposition.	2225741.cif