Crystallography Open Database

Information card for entry 1518858

Preview

Coordinates	1518858.cif

Structure parameters

Formula	C48.5 H98.5 O12.5 P2 Ru2
Calculated formula	C48.5 H84.5 O12.5 P2 Ru2
Title of publication	Compromising the metal-metal bond in diruthenium(II,III) tetraacetate: Reaction of [Ru2(mu-O2CMe)4(MeOH)2]+ with phosphines to form 'Ru(mu-O2CMe)2(mu-OMe)2Ru' cores
Authors of publication	Elizabeth G. Corkum; Ruiyao Wang; Manuel A.S. Aquino
Journal of publication	Inorganica Chimica Acta
Year of publication	2015
Journal volume	424
Pages of publication	202 - 209
a	10.2918 ± 0.0008 Å
b	15.1858 ± 0.0012 Å
c	19.3795 ± 0.0015 Å
α	68.742 ± 0.001°
β	84.919 ± 0.001°
γ	88.638 ± 0.001°
Cell volume	2811.5 ± 0.4 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0741
Residual factor for significantly intense reflections	0.0464
Weighted residual factors for significantly intense reflections	0.1121
Weighted residual factors for all reflections included in the refinement	0.1266
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1518858.cif
133939	2015-03-15	cif/ Adding structures of 1518858 via cif-deposit CGI script.	1518858.cif