Crystallography Open Database

Information card for entry 4071405

Preview

Coordinates	4071405.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H46 P2 Rh Si2
Calculated formula	C46 H46 P2 Rh Si2
SMILES	[Rh]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[Si](c2c([Si]1(C)C)cccc2)(C)C
Title of publication	“Synergistic Effects of Two Si−H Groups and a Metal Center” in Transition Metal-Catalyzed Hydrosilylation of Unsaturated Molecules: A Mechanistic Study of the RhCl(PPh3)3-Catalyzed Hydrosilylation of Ketones with 1,2-Bis(dimethylsilyl)benzene
Authors of publication	Sunada, Yusuke; Fujimura, Yoshiki; Nagashima, Hideo
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	14
Pages of publication	3502
a	10.7863 ± 0.0011 Å
b	17.5377 ± 0.0018 Å
c	21.737 ± 0.002 Å
α	90°
β	101.979 ± 0.0014°
γ	90°
Cell volume	4022.4 ± 0.7 Å³
Cell temperature	123.1 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 significantly intense reflections	0.0685
Weighted residual factors for all reflections included in the refinement	0.1573
Goodness-of-fit parameter for all reflections included in the refinement	1.105
Diffraction radiation wavelength	0.7107 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.	4071405.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4071405.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071405.cif
43817	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4071405 via cif-deposit CGI script.	4071405.cif