Crystallography Open Database

Information card for entry 7026336

Preview

Coordinates	7026336.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C75 H52 Cl3 Cu4 N15 O14
Calculated formula	C75 H52 Cl3 Cu4 N15 O14
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	12.761 ± 0.01 Å
b	13.021 ± 0.011 Å
c	13.671 ± 0.012 Å
α	96.256 ± 0.013°
β	99.056 ± 0.013°
γ	114.199 ± 0.009°
Cell volume	2008 ± 3 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1919
Residual factor for significantly intense reflections	0.0797
Weighted residual factors for significantly intense reflections	0.1689
Weighted residual factors for all reflections included in the refinement	0.1921
Goodness-of-fit parameter for all reflections included in the refinement	0.987
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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