Crystallography Open Database

Information card for entry 7220724

7220723 << 7220724 >> 7220725

Preview

Coordinates	7220724.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H82 Cu N4 O2
Calculated formula	C66 H82 Cu N4 O2
SMILES	N(=C\c1cc(cc2C=[N]([Cu]3(Oc12)[N](=Cc1cc(cc(c1O3)/C=N/c1c(cccc1C(C)C)C(C)C)C)c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)C)/c1c(cccc1C(C)C)C(C)C
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	9.8597 ± 0.0006 Å
b	12.1852 ± 0.0008 Å
c	24.1112 ± 0.0016 Å
α	90°
β	97.5566 ± 0.0013°
γ	90°
Cell volume	2871.6 ± 0.3 Å³
Cell temperature	160 ± 2 K
Ambient diffraction temperature	160 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1074
Residual factor for significantly intense reflections	0.0528
Weighted residual factors for significantly intense reflections	0.1035
Weighted residual factors for all reflections included in the refinement	0.1247
Goodness-of-fit parameter for all reflections included in the refinement	1
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.	7220724.cif