Crystallography Open Database

Information card for entry 7220723

7220722 << 7220723 >> 7220724

Preview

Coordinates	7220723.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H88 Cl2 Cu4 N4 O11
Calculated formula	C72 H88 Cl2 Cu4 N4 O11
SMILES	[Cu]1234[O](c5c(C=[N]6c7c(C(C)C)cccc7C(C)C)cc(cc5C=[N]1c1c(cccc1C(C)C)C(C)C)Cl)[Cu]615[O]26[Cu]2([O](c7c(cc(Cl)cc7C=[N]7c8c(cccc8C(C)C)C(C)C)C=[N]2c2c(C(C)C)cccc2C(C)C)[Cu]76([O]=C(C)O1)OC(=[O]3)C)([O]=C(O4)C)OC(=[O]5)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	28.827 ± 0.002 Å
b	28.771 ± 0.003 Å
c	22.942 ± 0.002 Å
α	90°
β	120.445 ± 0.011°
γ	90°
Cell volume	16404 ± 3 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	0.1204
Residual factor for significantly intense reflections	0.0643
Weighted residual factors for significantly intense reflections	0.1577
Weighted residual factors for all reflections included in the refinement	0.1951
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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.	7220723.cif