Crystallography Open Database

Information card for entry 4111628

Preview

Coordinates	4111628.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	tetrakis-[bis-(p-anisyl)-fromamidinato]-chloro-diruthenium(II,III) 0.5 dichloromethane solvate
Formula	C60.5 H61 Cl2 N8 O8 Ru2
Calculated formula	C60.5 H60 Cl2 N8 O8 Ru2
Title of publication	Structural and Magnetic Evidence Concerning Spin Crossover in Formamidinate Compounds with Ru25+ Cores
Authors of publication	Panagiotis Angaridis; F. Albert Cotton; Carlos A. Murillo; Dino Villagrán; Xiaoping Wang
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
Journal volume	127
Pages of publication	5008 - 5009
a	13.0725 ± 0.0006 Å
b	13.0725 ± 0.0006 Å
c	16.5571 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	2829.4 ± 0.3 Å³
Cell temperature	27 ± 2 K
Ambient diffraction temperature	27 ± 2 K
Number of distinct elements	6
Space group number	85
Hermann-Mauguin space group symbol	P 4/n :2
Hall space group symbol	-P 4a
Residual factor for all reflections	0.045
Residual factor for significantly intense reflections	0.0419
Weighted residual factors for significantly intense reflections	0.1079
Weighted residual factors for all reflections included in the refinement	0.1108
Goodness-of-fit parameter for all reflections included in the refinement	1.072
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4111628.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111628.cif
63229	2012-07-19	cif/ Adding structures of 4111628 via cif-deposit CGI script.	4111628.cif