Crystallography Open Database

Information card for entry 7220718

7220717 << 7220718 >> 7220719

Preview

Coordinates	7220718.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70.67 H88 Cu4 N4 O14.33
Calculated formula	C70.6666 H87.9998 Cu4 N4 O14.3333
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	14.1438 ± 0.0009 Å
b	14.8853 ± 0.0005 Å
c	20.3062 ± 0.0005 Å
α	82.021 ± 0.002°
β	88.299 ± 0.003°
γ	64.613 ± 0.005°
Cell volume	3822.8 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1248
Residual factor for significantly intense reflections	0.0736
Weighted residual factors for significantly intense reflections	0.1908
Weighted residual factors for all reflections included in the refinement	0.2288
Goodness-of-fit parameter for all reflections included in the refinement	1.072
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.	7220718.cif