Crystallography Open Database

Information card for entry 4104842

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Coordinates	4104842.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H85 Cu8 F6 O12 P7 Se12
Calculated formula	C36 H83 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	24.254 ± 0.003 Å
b	13.0874 ± 0.0014 Å
c	24.861 ± 0.004 Å
α	90°
β	91.879 ± 0.005°
γ	90°
Cell volume	7887.2 ± 1.8 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	7
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	0.0917
Residual factor for significantly intense reflections	0.0518
Weighted residual factors for significantly intense reflections	0.1309
Weighted residual factors for all reflections included in the refinement	0.1441
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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