Crystallography Open Database

Information card for entry 4083443

Preview

Coordinates	4083443.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58.5 H50 F12 N2 O2 Zr
Calculated formula	C58.5 H50 F12 N2 O2 Zr
Title of publication	Group 4 Metal Complexes of Fluorous (Di)Alkoxide-(Di)Imino Ligands: Synthesis, Structure, Olefin Polymerization Catalysis, and Decomposition Pathways
Authors of publication	Marquet, Nicolas; Kirillov, Evgueni; Roisnel, Thierry; Razavi, Abbas; Carpentier, Jean-François
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	2
Pages of publication	606
a	9.1239 ± 0.00008 Å
b	11.9751 ± 0.0001 Å
c	24.3525 ± 0.00016 Å
α	96.3176 ± 0.0004°
β	96.7064 ± 0.0005°
γ	100.242 ± 0.0005°
Cell volume	2577.04 ± 0.04 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1587
Residual factor for significantly intense reflections	0.0852
Weighted residual factors for significantly intense reflections	0.2043
Weighted residual factors for all reflections included in the refinement	0.2403
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
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.	4083443.cif
114889	2014-05-29	cif/ Adding structures of 4083443 via cif-deposit CGI script.	4083443.cif