Crystallography Open Database

Information card for entry 7226319

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Coordinates	7226319.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51.9 H16 Mg4 N3.98 O20
Calculated formula	C51.9 H16 Mg4 N3.98 O20
Title of publication	A Novel 3D Microporous Magnesium-Based Metal-Organic Framework with Open Metal Sites
Authors of publication	Biswas, Apurba; Kim, Min-Bum; Kim, Seo-Yul; Yoon, Tae-Ung; Kim, Seung-Ik; Bae, Youn-Sang
Journal of publication	RSC Adv.
Year of publication	2016
a	9.1535 ± 0.0016 Å
b	18.8 ± 0.004 Å
c	17.924 ± 0.004 Å
α	90°
β	90.145 ± 0.006°
γ	90°
Cell volume	3084.5 ± 1.1 Å³
Cell temperature	305 ± 2 K
Ambient diffraction temperature	305 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1091
Residual factor for significantly intense reflections	0.0805
Weighted residual factors for significantly intense reflections	0.216
Weighted residual factors for all reflections included in the refinement	0.2401
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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