Crystallography Open Database

Information card for entry 1544267

Preview

Coordinates	1544267.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	C6
Formula	C17 H24 Cl2 Co N4
Calculated formula	C17 H24 Cl2 Co N4
Title of publication	The effects of chelating N4ligand coordination on Co(ii)-catalysed photochemical conversion of CO2to CO: reaction mechanism and DFT calculations
Authors of publication	Wang, Feng; Cao, Bei; To, Wai-Pong; Tse, Chun-Wai; Li, Kai; Chang, Xiao-Yong; Zang, Chao; Chan, Sharon Lai-Fung; Che, Chi-Ming
Journal of publication	Catal. Sci. Technol.
Year of publication	2016
Journal volume	6
Journal issue	20
Pages of publication	7408
a	14.2357 ± 0.0014 Å
b	8.2893 ± 0.0008 Å
c	15.2974 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	1805.2 ± 0.3 Å³
Cell temperature	115 ± 2 K
Ambient diffraction temperature	114.99 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0258
Residual factor for significantly intense reflections	0.0216
Weighted residual factors for significantly intense reflections	0.0517
Weighted residual factors for all reflections included in the refinement	0.054
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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
187242 (current)	2016-10-11	cif/ Adding structures of 1544266, 1544267, 1544268, 1544269, 1544270 via cif-deposit CGI script.	1544267.cif