Crystallography Open Database

Information card for entry 7220193

7220192 << 7220193 >> 7220194

Preview

Coordinates	7220193.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H52 N4 O16 Zn4
Calculated formula	C44 H52 N4 O16 Zn4
Title of publication	Cubane-type {M4O4} (M = CoII, ZnII, CuII) clusters: synthesis, crystal structures, and luminescent and magnetic properties
Authors of publication	Gao, Qian; Qin, Yaru; Chen, Yanmei; Liu, Wei; Li, Hai-Yan; Wu, Bing; Li, Yahong; Li, Wu
Journal of publication	RSC Adv.
Year of publication	2015
a	26.369 ± 0.005 Å
b	8.4456 ± 0.0013 Å
c	22.718 ± 0.004 Å
α	90°
β	114.642 ± 0.006°
γ	90°
Cell volume	4598.6 ± 1.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0777
Residual factor for significantly intense reflections	0.044
Weighted residual factors for significantly intense reflections	0.1052
Weighted residual factors for all reflections included in the refinement	0.1194
Goodness-of-fit parameter for all reflections included in the refinement	0.971
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	7220193.cif
135755	2015-05-08	cif/ Adding structures of 7220191, 7220192, 7220193 via cif-deposit CGI script.	7220193.cif