Crystallography Open Database

Information card for entry 1518895

Preview

Coordinates	1518895.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57.5 H67 Cl O P2 Ru Si
Calculated formula	C57.5 H52 Cl O P2 Ru Si
Title of publication	Synthesis of Ruthenium Complexes with a NonspectatorSi,O,P-Chelate Ligand: Interconversion between a Hydrido(η2-silane) Complex and a Silyl Complex Leading to Catalytic Alkene Hydrogenation
Authors of publication	Komuro, Takashi; Arai, Takafumi; Kikuchi, Kei; Tobita, Hiromi
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	7
Pages of publication	1211
a	10.6569 ± 0.0004 Å
b	18.1443 ± 0.0005 Å
c	26.9876 ± 0.0008 Å
α	90°
β	92.5022 ± 0.0009°
γ	90°
Cell volume	5213.4 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.1064
Residual factor for significantly intense reflections	0.0857
Weighted residual factors for significantly intense reflections	0.1915
Weighted residual factors for all reflections included in the refinement	0.2047
Goodness-of-fit parameter for all reflections included in the refinement	1.246
Diffraction radiation wavelength	0.71069 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.	1518895.cif
138297	2015-06-05	cif/ Updating files of 1518895, 1518896 Original log message: Adding full bibliography for 1518895--1518896.cif.	1518895.cif
134390	2015-03-26	cif/ Adding structures of 1518895, 1518896 via cif-deposit CGI script.	1518895.cif