Crystallography Open Database

Information card for entry 7108645

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Coordinates	7108645.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H24 Cl Cu4 O16
Calculated formula	C56 H24 Cl Cu4 O16
Title of publication	Counter-cation modulation of hydrogen and methane storage in a sodalite-type porous metal-organic framework
Authors of publication	Yun-Nan Gong; Miao Meng; Di-Chang Zhong; Yong-Liang Huang; Long Jiang; Tong-Bu Lu
Journal of publication	Chem.Commun.
Year of publication	2012
Journal volume	48
Pages of publication	12002
a	41.4543 ± 0.0015 Å
b	41.4543 ± 0.0015 Å
c	41.4543 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	71238 ± 4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	226
Hermann-Mauguin space group symbol	F m -3 c
Hall space group symbol	-F 4a 2 3
Residual factor for all reflections	0.0481
Residual factor for significantly intense reflections	0.0353
Weighted residual factors for significantly intense reflections	0.0878
Weighted residual factors for all reflections included in the refinement	0.0923
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	No
Has F_obs	No

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