Crystallography Open Database

Information card for entry 1554195

Preview

Coordinates	1554195.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H16 Mg3 N0 O16 P2
Calculated formula	C28 H16 Mg3 O16 P2
Title of publication	Rational design of phosphonocarboxylate metal‒organic frameworks for light hydrocarbon separations
Authors of publication	Li, Lan; Yin, Qi; Li, Hong-Fang; Liu, Tian-Fu; Cao, Rong
Journal of publication	Materials Chemistry Frontiers
Year of publication	2018
Journal volume	2
Journal issue	8
Pages of publication	1436
a	11.302 ± 0.0002 Å
b	13.5426 ± 0.0002 Å
c	15.7763 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	2414.7 ± 0.06 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	58
Hermann-Mauguin space group symbol	P n n m
Hall space group symbol	-P 2 2n
Residual factor for all reflections	0.0827
Residual factor for significantly intense reflections	0.0765
Weighted residual factors for significantly intense reflections	0.2051
Weighted residual factors for all reflections included in the refinement	0.2102
Goodness-of-fit parameter for all reflections included in the refinement	1.097
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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