Crystallography Open Database

Information card for entry 1556331

Preview

Coordinates	1556331.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Compound 5
Formula	C60 H86 Cl4 N2 O6 V2
Calculated formula	C60 H86 Cl4 N2 O6 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	15.4851 ± 0.0003 Å
b	12.3449 ± 0.0002 Å
c	33.0323 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	6314.5 ± 0.2 Å³
Cell temperature	140 ± 1 K
Ambient diffraction temperature	140 ± 1 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	0.0867
Residual factor for significantly intense reflections	0.0612
Weighted residual factors for significantly intense reflections	0.1045
Weighted residual factors for all reflections included in the refinement	0.1129
Goodness-of-fit parameter for all reflections included in the refinement	1.199
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	Mo-Kα
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.	1556331.cif