Crystallography Open Database

Information card for entry 7218756

Preview

Coordinates	7218756.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C88 H118 Cl4 Cu6 N12 O29
Calculated formula	C88 H118 Cl4 Cu6 N12 O29
Title of publication	Synthesis of two copper clusters and their catalysis towards the oxidation of benzene into phenol
Authors of publication	You, Xiuli; Wei, Zhenhong; Wang, Hailong; li, dongping; Liu, Jian; Xu, Beibei; Liu, Xiaoming
Journal of publication	RSC Adv.
Year of publication	2014
a	12.193 ± 0.008 Å
b	13.32 ± 0.009 Å
c	19.035 ± 0.017 Å
α	107.282 ± 0.012°
β	96.731 ± 0.011°
γ	107.393 ± 0.008°
Cell volume	2744 ± 4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.103
Residual factor for significantly intense reflections	0.0591
Weighted residual factors for significantly intense reflections	0.1549
Weighted residual factors for all reflections included in the refinement	0.1818
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
180518 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/87.	7218756.cif
127280	2014-11-12	cif/ Adding structures of 7218756 via cif-deposit CGI script.	7218756.cif