Crystallography Open Database

Information card for entry 7223529

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Coordinates	7223529.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C92 H168 Cu12 Mo N5 O130 Si W11
Calculated formula	C80 H48.0048 Cu12 Mo0.9996 N2 O106 Si W11.0004
Title of publication	The first heteropoly blue-embedded metal‒organic framework: crystal structure, magnetic property and proton conductivity
Authors of publication	Li, Chong; Sun, Minghui; Xu, Lin; Wang, Yuchao; Huang, Jiawei
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	4
Pages of publication	596
a	26.232 ± 0.007 Å
b	26.232 ± 0.007 Å
c	26.232 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	18051 ± 8 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	8
Space group number	225
Hermann-Mauguin space group symbol	F m -3 m
Hall space group symbol	-F 4 2 3
Residual factor for all reflections	0.0801
Residual factor for significantly intense reflections	0.0635
Weighted residual factors for significantly intense reflections	0.2109
Weighted residual factors for all reflections included in the refinement	0.233
Goodness-of-fit parameter for all reflections included in the refinement	1.09
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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