Crystallography Open Database

Information card for entry 7112461

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Coordinates	7112461.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C270 H368 Mg16 N26 O143
Calculated formula	C192 H112 Mg16 O104
Title of publication	A unique magnesium-based 3D MOF with nanoscale cages and temperature dependent selective gas sorption properties.
Authors of publication	Huang, Yong-Liang; Gong, Yun-Nan; Jiang, Long; Lu, Tong-Bu
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2013
Journal volume	49
Journal issue	17
Pages of publication	1753 - 1755
a	35.1938 ± 0.0001 Å
b	35.1938 ± 0.0001 Å
c	35.1938 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	43591.2 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	229
Hermann-Mauguin space group symbol	I m -3 m
Hall space group symbol	-I 4 2 3
Residual factor for all reflections	0.1712
Residual factor for significantly intense reflections	0.1487
Weighted residual factors for significantly intense reflections	0.2497
Weighted residual factors for all reflections included in the refinement	0.2602
Goodness-of-fit parameter for all reflections included in the refinement	1.008
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Duplicate of	7108876
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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