Crystallography Open Database

Information card for entry 7052280

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Coordinates	7052280.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C138 H176 Cu8 N4 O6 S12
Calculated formula	C138 H160 Cu8 N4 O6 S12
Title of publication	Octanuclear Cu(<small>I</small>) cubic complex decorated with six peripheral chelates
Authors of publication	Stéphane A. Baudron; Mir Wais Hosseini; Nathalie Kyritsakas
Journal of publication	New Journal of Chemistry
Year of publication	2006
Journal volume	30
Journal issue	7
Pages of publication	1083
a	16.0263 ± 0.0005 Å
b	22.3943 ± 0.0007 Å
c	19.782 ± 0.0008 Å
α	90°
β	112.759 ± 0.001°
γ	90°
Cell volume	6546.9 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.137
Residual factor for significantly intense reflections	0.0674
Weighted residual factors for significantly intense reflections	0.1757
Weighted residual factors for all reflections included in the refinement	0.2115
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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