Crystallography Open Database

Information card for entry 4116441

Preview

Coordinates	4116441.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H86 I2 P2 Ru S
Calculated formula	C42 H86 P2 Ru Si2
SMILES	[RuH2]1([P](C2CCCCC2)(C2CCCCC2)C2CCCCC2)([P](C2CCCCC2)(C2CCCCC2)C2CCCCC2)[H][Si](CC[Si]([H]1)(C)C)(C)C
Title of publication	Ruthenium Complexes Containing Two Ru-(η2-Si-H) Bonds: Synthesis, Spectroscopic Properties, Structural Data, Theoretical Calculations, and Reactivity Studies
Authors of publication	Fabien Delpech; Sylviane Sabo-Etienne; Jean-Claude Daran; Bruno Chaudret; Khansaa Hussein; Colin J. Marsden; Jean-Claude Barthelat
Journal of publication	Journal of the American Chemical Society
Year of publication	1999
Journal volume	121
Pages of publication	6668 - 6682
a	12.7187 ± 0.0016 Å
b	19.1092 ± 0.0016 Å
c	18.068 ± 0.002 Å
α	90°
β	90.594 ± 0.013°
γ	90°
Cell volume	4391.1 ± 0.8 Å³
Cell temperature	160 ± 2 K
Ambient diffraction temperature	160 ± 2 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for significantly intense reflections	0.022
Weighted residual factors for significantly intense reflections	0.0247
Goodness-of-fit parameter for significantly intense reflections	1.0293
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	4116441.cif
71760	2013-01-21	cif/ Adding structures of 4116441 via cif-deposit CGI script.	4116441.cif