Crystallography Open Database

Information card for entry 7210227

Preview

Coordinates	7210227.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H76 Cl3 Cu7 Mo2 N24 O8 S8
Calculated formula	C72 H75.9996 Cl3 Cu7 Mo2 N24 O8 S8
Title of publication	Anion-selectivity of cationic cluster‒organic nanospheres based on a nest-shaped [MS4Cu3X3] clustermonomer with a ditopic ligand
Authors of publication	Qin, Ling; Pan, Zhaorui; Qian, Liwu; Li, Yizhi; Guo, Zijian; Zheng, Hegen
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	25
Pages of publication	5016
a	16.817 ± 0.002 Å
b	16.817 ± 0.002 Å
c	22.226 ± 0.006 Å
α	90°
β	90°
γ	120°
Cell volume	5443.6 ± 1.7 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	8
Space group number	176
Hermann-Mauguin space group symbol	P 63/m
Hall space group symbol	-P 6c
Residual factor for all reflections	0.0653
Residual factor for significantly intense reflections	0.0514
Weighted residual factors for significantly intense reflections	0.1257
Weighted residual factors for all reflections included in the refinement	0.132
Goodness-of-fit parameter for all reflections included in the refinement	1.094
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7210227.cif
87066	2013-07-13	cif/ Adding structures of 7210226, 7210227, 7210228 via cif-deposit CGI script.	7210227.cif