Crystallography Open Database

Information card for entry 7058201

Preview

Coordinates	7058201.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H44 Cu4 N6 O21
Calculated formula	C32 H44 Cu4 N6 O21
Title of publication	Electrocatalytic water oxidation studies of a tetranuclear Cu(ii) complex with cubane-like core Cu4(μ3-O)4
Authors of publication	Gao, Wei-Song; Wang, Jin-Miao; Shi, Ning-Ning; Chen, Chang-Neng; Fan, Yu-Hua; Wang, Mei
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	11
Pages of publication	4640
a	13.785 ± 0.003 Å
b	17.746 ± 0.003 Å
c	16.689 ± 0.003 Å
α	90°
β	101.306 ± 0.004°
γ	90°
Cell volume	4003.4 ± 1.3 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	5
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	0.0361
Residual factor for significantly intense reflections	0.0282
Weighted residual factors for significantly intense reflections	0.0731
Weighted residual factors for all reflections included in the refinement	0.0764
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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
224984 (current)	2019-11-08	cif/ Updating files of 7058201 Original log message: Adding full bibliography for 7058201.cif.	7058201.cif
213782	2019-02-22	cif/ Adding structures of 7058201 via cif-deposit CGI script.	7058201.cif