Crystallography Open Database

Information card for entry 4330535

Preview

Coordinates	4330535.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H22 Cl4 O3 Ru S4
Calculated formula	C16 H22 Cl4 O3 Ru S4
Title of publication	Ruthenium(II) Thiacrown Complexes Incorporating Noninnocent Redox Active Ligands: Synthesis, Electrochemical Properties, and Theoretical Studies
Authors of publication	James D. Ingram; Paulo J. Costa; Harry Adams; Michael D. Ward; Vítor Félix; Jim A. Thomas
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	10483 - 10494
a	9.2289 ± 0.0001 Å
b	11.243 ± 0.0001 Å
c	12.3239 ± 0.0001 Å
α	78.69 ± 0.001°
β	70.363 ± 0.001°
γ	67.037 ± 0.001°
Cell volume	1105.81 ± 0.02 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.023
Residual factor for significantly intense reflections	0.02
Weighted residual factors for significantly intense reflections	0.0439
Weighted residual factors for all reflections included in the refinement	0.0451
Goodness-of-fit parameter for all reflections included in the refinement	1.096
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179408 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/05.	4330535.cif
79988	2013-04-06	cif/ Adding structures of 4330535 via cif-deposit CGI script.	4330535.cif