Crystallography Open Database

Information card for entry 4104843

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Coordinates	4104843.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H61 Cu8 F6 O12 P7 Se12
Calculated formula	C24 H61 Cu8 F6 O12 P7 Se12
Title of publication	Octanuclear Copper(I) Clusters Inscribed in a Se12 Icosahedron: Anion-Induced Modulation of the Core Size and Symmetry
Authors of publication	C. W. Liu; Bijay Sarkar; Yao-Jheng Huang; Ping-Kuei Liao; Ju-Chun Wang; Jean-Yves Saillard; Samia Kahlal
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	11222 - 11233
a	17.6955 ± 0.0003 Å
b	17.6955 ± 0.0003 Å
c	71.878 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	19491.8 ± 0.9 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	7
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.0685
Residual factor for significantly intense reflections	0.0518
Weighted residual factors for significantly intense reflections	0.1505
Weighted residual factors for all reflections included in the refinement	0.162
Goodness-of-fit parameter for all reflections included in the refinement	1.091
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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