Crystallography Open Database

Information card for entry 7220716

7220715 << 7220716 >> 7220717

Preview

Coordinates	7220716.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H94 Cu4 N5 O11
Calculated formula	C76 H94 Cu4 N5 O11
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	20.028 ± 0.011 Å
b	15.1113 ± 0.0005 Å
c	25.249 ± 0.004 Å
α	90°
β	98.68 ± 0.04°
γ	90°
Cell volume	7554 ± 4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0727
Residual factor for significantly intense reflections	0.0426
Weighted residual factors for significantly intense reflections	0.0935
Weighted residual factors for all reflections included in the refinement	0.1075
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
138986 (current)	2015-06-09	cif/ Adding structures of 7220715, 7220716, 7220717, 7220718, 7220719, 7220720, 7220721, 7220722, 7220723, 7220724 via cif-deposit CGI script.	7220716.cif