Crystallography Open Database

Information card for entry 4117371

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Coordinates	4117371.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C260 H216 In20 Mg16 N4 O224
Calculated formula	C252 In20.04 Mg15.96 O224
Title of publication	Mimicking Zeolite to Its Core: Porous Sodalite Cages as Hangers for Pendant Trimeric M3(OH) Clusters (M = Mg, Mn, Co, Ni, Cd)
Authors of publication	Shou-Tian Zheng; Tao Wu; Fan Zuo; Chengtsung Chou; Pingyun Feng; Xianhui Bu
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	1934 - 1937
a	50.6795 ± 0.0007 Å
b	50.6795 ± 0.0007 Å
c	50.6795 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	130166 ± 3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	227
Hermann-Mauguin space group symbol	F d -3 m :2
Hall space group symbol	-F 4vw 2vw 3
Residual factor for all reflections	0.1329
Residual factor for significantly intense reflections	0.0938
Weighted residual factors for significantly intense reflections	0.2608
Weighted residual factors for all reflections included in the refinement	0.2811
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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