Crystallography Open Database

Information card for entry 7026337

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Coordinates	7026337.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H40 B3 Cu3 F12 N12
Calculated formula	C52 H40 B3 Cu3 F12.01 N12
Title of publication	Novel cyano-bridged mixed-valent copper complexes formed by completely in situ synthetic method via the cleavage of C-C bond in acetonitrile.
Authors of publication	Xu, Feng; Huang, Wei; You, Xiao-Zeng
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	44
Pages of publication	10652 - 10658
a	23.108 ± 0.005 Å
b	21.442 ± 0.005 Å
c	23.436 ± 0.006 Å
α	90°
β	110.934 ± 0.003°
γ	90°
Cell volume	10846 ± 4 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 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	0.0815
Residual factor for significantly intense reflections	0.0464
Weighted residual factors for significantly intense reflections	0.1098
Weighted residual factors for all reflections included in the refinement	0.1227
Goodness-of-fit parameter for all reflections included in the refinement	0.892
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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