Crystallography Open Database

Information card for entry 4116440

Preview

Coordinates	4116440.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H92 I2 P2 Ru S
Calculated formula	C52 H92 P2 Ru Si2
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	20.8935 ± 0.0018 Å
b	19.52 ± 0.0018 Å
c	25.113 ± 0.002 Å
α	90°
β	90.331 ± 0.009°
γ	90°
Cell volume	10241.9 ± 1.5 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for significantly intense reflections	0.0257
Weighted residual factors for significantly intense reflections	0.0313
Goodness-of-fit parameter for significantly intense reflections	0.9675
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.	4116440.cif
71759	2013-01-21	cif/ Adding structures of 4116440 via cif-deposit CGI script.	4116440.cif