Crystallography Open Database

Information card for entry 4305986

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Coordinates	4305986.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H84 Cu16 I17 N24
Calculated formula	C60 H84 Cu16 I17 N24
Title of publication	Mixed-Valence CuIICuI15I17 Cluster Builds up a 3D Metal-Organic Framework with Paramagnetic and Thermochromic Characteristics
Authors of publication	Jun He; Jing-Xiang Zhang; Chun-Kwan Tsang; Zhengtao Xu; Ye-Gao Yin; Dan Li; Ng, Seik Weng
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	7948 - 7950
a	17.324 ± 0.0008 Å
b	17.324 Å
c	17.324 Å
α	90°
β	90°
γ	90°
Cell volume	5199.3 ± 0.2 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	5
Space group number	218
Hermann-Mauguin space group symbol	P -4 3 n
Hall space group symbol	P -4n 2 3
Residual factor for all reflections	0.0579
Residual factor for significantly intense reflections	0.0536
Weighted residual factors for significantly intense reflections	0.1532
Weighted residual factors for all reflections included in the refinement	0.1604
Goodness-of-fit parameter for all reflections included in the refinement	1.174
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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