Crystallography Open Database

Information card for entry 7220721

7220720 << 7220721 >> 7220722

Preview

Coordinates	7220721.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C178 H183 Cl6 Cu12 N17 O33
Calculated formula	C178 H183 Cl6 Cu12 N17 O33
Title of publication	Mono-and Tetra-nuclear copper complexes bearing bis(imino)phenoxide derived ligands: catalytic evaluation for benzene oxidation and ROP of epsilon-caprolactone
Authors of publication	Wang, Xue; Zhao, Keqing; Elsegood, Mark Robert James; Prior, Timothy J.; Liu, Xiaoming; Li, Wu; Sanz, Sergio; Brechin, Euan K.; Redshaw, Carl
Journal of publication	RSC Adv.
Year of publication	2015
a	65.736 ± 0.003 Å
b	13.0482 ± 0.0004 Å
c	22.1089 ± 0.0005 Å
α	90°
β	98.395 ± 0.002°
γ	90°
Cell volume	18760.4 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0734
Residual factor for significantly intense reflections	0.0497
Weighted residual factors for significantly intense reflections	0.1175
Weighted residual factors for all reflections included in the refinement	0.1317
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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
138986 (current)	2015-06-09	cif/ Adding structures of 7220715, 7220716, 7220717, 7220718, 7220719, 7220720, 7220721, 7220722, 7220723, 7220724 via cif-deposit CGI script.	7220721.cif