Crystallography Open Database

Information card for entry 4071421

Preview

Coordinates	4071421.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H51 O3 S2 Sc Si
Calculated formula	C32 H51 O3 S2 Sc Si
Title of publication	Rare-Earth Metal Alkyl and Hydrido Complexes Containing a Thioether-Functionalized Bis(phenolato) Ligand: Efficient Catalysts for Olefin Hydrosilylation
Authors of publication	Konkol, Marcin; Kondracka, Malgorzata; Voth, Peter; Spaniol, Thomas P.; Okuda, Jun
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	15
Pages of publication	3774
a	10.604 ± 0.017 Å
b	17.3 ± 0.02 Å
c	38.19 ± 0.05 Å
α	90°
β	90°
γ	90°
Cell volume	7006 ± 17 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1459
Residual factor for significantly intense reflections	0.0705
Weighted residual factors for significantly intense reflections	0.1091
Weighted residual factors for all reflections included in the refinement	0.126
Goodness-of-fit parameter for all reflections included in the refinement	1.007
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4071421.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4071421.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071421.cif
43831	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4071421, 4071422, 4071423 via cif-deposit CGI script.	4071421.cif