Crystallography Open Database

Information card for entry 1518856

Preview

Coordinates	1518856.cif

Structure parameters

Formula	C47.53 H82 O11.52 P2 Ru2
Calculated formula	C47.526 H78 O11.526 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	11.1632 ± 0.0001 Å
b	14.5311 ± 0.0002 Å
c	15.83 ± 0.0002 Å
α	90°
β	90.206 ± 0.001°
γ	90°
Cell volume	2567.82 ± 0.05 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	5
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	0.029
Residual factor for significantly intense reflections	0.0246
Weighted residual factors for significantly intense reflections	0.0595
Weighted residual factors for all reflections included in the refinement	0.0618
Goodness-of-fit parameter for all reflections included in the refinement	1.066
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1518856.cif
133937	2015-03-15	cif/ Adding structures of 1518856 via cif-deposit CGI script.	1518856.cif