Crystallography Open Database

Information card for entry 1556329

Preview

Coordinates	1556329.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Compound 2
Formula	C66 H64 Cl2 N4 O7.5 V2
Calculated formula	C66 H64 Cl2 N4 O7.5 V2
Title of publication	Vanadium(iii) phenoxyimine complexes for ethylene or ε-caprolactone polymerization: mononuclear versus binuclear pre-catalysts
Authors of publication	Clowes, Lucy; Walton, Mark; Redshaw, Carl; Chao, Yimin; Walton, Alex; Elo, Pertti; Sumerin, Victor; Hughes, David L.
Journal of publication	Catal. Sci. Technol.
Year of publication	2013
Journal volume	3
Journal issue	1
Pages of publication	152
a	17.8598 ± 0.0014 Å
b	10.775 ± 0.0008 Å
c	31.054 ± 0.002 Å
α	90°
β	101.73 ± 0.004°
γ	90°
Cell volume	5851.2 ± 0.7 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.1007
Residual factor for significantly intense reflections	0.0653
Weighted residual factors for significantly intense reflections	0.1159
Weighted residual factors for all reflections included in the refinement	0.1271
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
244216 (current)	2019-11-28	cif/ Adding structures of 1556329, 1556330, 1556331, 1556332 via cif-deposit CGI script.	1556329.cif