Crystallography Open Database

Information card for entry 4329132

Preview

Coordinates	4329132.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H50 Cl2 N P2 Ru S
Calculated formula	C48.862 H49.862 Cl2 N P2 Ru S
Title of publication	Ruthenium(II) Thiol and H2S Complexes: Synthesis, Characterization, and Thermodynamic Properties
Authors of publication	Erin S. F. Ma; Steven J. Rettig; Brian O. Patrick; Brian R. James
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	5427 - 5434
a	16.6933 ± 0.0008 Å
b	12.4262 ± 0.0012 Å
c	21.8288 ± 0.0006 Å
α	90°
β	106.331 ± 0.001°
γ	90°
Cell volume	4345.3 ± 0.5 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0535
Residual factor for significantly intense reflections	0.0331
Weighted residual factors for significantly intense reflections	0.081
Weighted residual factors for all reflections included in the refinement	0.089
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179394 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/91.	4329132.cif
78172	2013-04-01	cif/ Adding structures of 4329132 via cif-deposit CGI script.	4329132.cif