Crystallography Open Database

Information card for entry 1547549

Preview

Coordinates	1547549.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H55 Si2 Y
Calculated formula	C38 H55 Si2 Y
Title of publication	Substitution Effects in Highly Syndioselective Styrene Polymerization Catalysts Based on Single-Component Allyl ansa-Lanthanidocenes: An Experimental and Theoretical Study
Authors of publication	Laur, Eva; Louyriac, Elisa; Dorcet, Vincent; Welle, Alexandre; Vantomme, Aurélien; Miserque, Olivier; Brusson, Jean-Michel; Maron, Laurent; Carpentier, Jean-François; Kirillov, Evgueni
Journal of publication	Macromolecules
Year of publication	2017
Journal volume	50
Journal issue	17
Pages of publication	6539
a	9.5747 ± 0.0003 Å
b	17.4837 ± 0.0005 Å
c	21.917 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	3668.9 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	57
Hermann-Mauguin space group symbol	P b c m
Hall space group symbol	-P 2c 2b
Residual factor for all reflections	0.0617
Residual factor for significantly intense reflections	0.0401
Weighted residual factors for significantly intense reflections	0.0933
Weighted residual factors for all reflections included in the refinement	0.102
Goodness-of-fit parameter for all reflections included in the refinement	1.02
Diffraction radiation probe	x-ray
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
201699 (current)	2017-10-05	cif/ Adding structures of 1547543, 1547544, 1547545, 1547546, 1547547, 1547548, 1547549 via cif-deposit CGI script.	1547549.cif