Crystallography Open Database

Information card for entry 7052281

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Coordinates	7052281.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C116 H152 Cu8 N16 O6 S18
Calculated formula	C116 H128 Cu8 N16 O6 S18
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	39.0401 ± 0.0013 Å
b	17.3267 ± 0.0006 Å
c	24.2754 ± 0.0008 Å
α	90°
β	124.138 ± 0.002°
γ	90°
Cell volume	13591.3 ± 0.9 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
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	0.1233
Residual factor for significantly intense reflections	0.0666
Weighted residual factors for significantly intense reflections	0.2064
Weighted residual factors for all reflections included in the refinement	0.2466
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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