Crystallography Open Database

Information card for entry 4111379

Preview

Coordinates	4111379.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H37 Sc Si2
Calculated formula	C38 H2 Sc Si2
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	9.9125 ± 0.0008 Å
b	20.937 ± 0.002 Å
c	16.232 ± 0.001 Å
α	90 ± 0.001°
β	95.289 ± 0.001°
γ	90 ± 0.001°
Cell volume	3354.4 ± 0.5 Å³
Cell temperature	135.2 K
Ambient diffraction temperature	135.2 K
Number of distinct elements	4
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	0.0778
Residual factor for significantly intense reflections	0.0442
Weighted residual factors for all reflections	0.0612
Weighted residual factors for significantly intense reflections	0.0534
Weighted residual factors for all reflections included in the refinement	0.0534
Goodness-of-fit parameter for all reflections included in the refinement	1.455
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.	4111379.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111379.cif
62977	2012-07-13	cif/ Adding structures of 4111379 via cif-deposit CGI script.	4111379.cif