Crystallography Open Database

Information card for entry 4083440

Preview

Coordinates	4083440.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H50 F12 Hf N2 O2
Calculated formula	C52 H50 F12 Hf N2 O2
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	27.555 ± 0.002 Å
b	12.0391 ± 0.001 Å
c	17.9936 ± 0.0014 Å
α	90°
β	127.787 ± 0.002°
γ	90°
Cell volume	4717.4 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0159
Residual factor for significantly intense reflections	0.0154
Weighted residual factors for significantly intense reflections	0.0386
Weighted residual factors for all reflections included in the refinement	0.0389
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178723 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/34.	4083440.cif
114886	2014-05-29	cif/ Adding structures of 4083440 via cif-deposit CGI script.	4083440.cif