Crystallography Open Database

Information card for entry 7225811

Preview

Coordinates	7225811.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C168 H241 Ho4 N27 O59 P6
Calculated formula	C86 H48 Ho4 N6 O39 P6
Title of publication	A porous lanthanide metal‒organic framework based on a flexible cyclotriphosphazene-functionalized hexacarboxylate exhibiting selective gas adsorption
Authors of publication	Ling, Yajing; Jiao, Jingjing; Zhang, Mingxing; Liu, Huimin; Bai, Dongjie; Feng, Yunlong; He, Yabing
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	33
Pages of publication	6254
a	15.8769 ± 0.0005 Å
b	23.5103 ± 0.0008 Å
c	23.1577 ± 0.0008 Å
α	90°
β	101.226 ± 0.002°
γ	90°
Cell volume	8478.7 ± 0.5 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0614
Residual factor for significantly intense reflections	0.0561
Weighted residual factors for significantly intense reflections	0.1462
Weighted residual factors for all reflections included in the refinement	0.1525
Goodness-of-fit parameter for all reflections included in the refinement	1.006
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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