Crystallography Open Database

Information card for entry 4111378

Preview

Coordinates	4111378.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Cp*2ScSiH(SiMe3)2
Formula	C26 H49 Sc Si3
Calculated formula	C26 H42 Sc Si3.004
Title of publication	Synthesis and Characterization of Scandium Silyl Complexes of the Type Cp*2ScSiHRR'. σ-Bond Metathesis Reactions and Catalytic Dehydrogenative Silation of Hydrocarbons
Authors of publication	Aaron D. Sadow; T. Don Tilley
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
Journal volume	127
Pages of publication	643 - 656
a	9.1426 ± 0.0006 Å
b	10.4602 ± 0.0006 Å
c	17.096 ± 0.001 Å
α	94.074 ± 0.001°
β	105.507 ± 0.001°
γ	103.56 ± 0.001°
Cell volume	1515.83 ± 0.16 Å³
Cell temperature	132.2 K
Ambient diffraction temperature	132.2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0819
Residual factor for significantly intense reflections	0.065
Weighted residual factors for all reflections	0.0959
Weighted residual factors for significantly intense reflections	0.09
Weighted residual factors for all reflections included in the refinement	0.09
Goodness-of-fit parameter for all reflections included in the refinement	2.39
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
178884 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/13.	4111378.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111378.cif
62976	2012-07-13	cif/ Adding structures of 4111378 via cif-deposit CGI script.	4111378.cif