Crystallography Open Database

Information card for entry 4349872

Preview

Coordinates	4349872.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H22 Cl6 Ho2 N3 O20 P3
Calculated formula	C42 H22 Cl6 Ho2 N3 O20 P3
Title of publication	Structural diversities and gas adsorption properties of a family of rod-packing lanthanide‒organic frameworks based on cyclotriphosphazene-functionalized hexacarboxylate derivatives
Authors of publication	Bai, Dongjie; Wang, Yao; He, Minghui; Gao, Xiaoxia; He, Yabing
Journal of publication	Inorganic Chemistry Frontiers
Year of publication	2018
Journal volume	5
Journal issue	9
Pages of publication	2227
a	30.427 ± 0.006 Å
b	18.048 ± 0.004 Å
c	23.107 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	12689 ± 4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.1004
Residual factor for significantly intense reflections	0.0775
Weighted residual factors for significantly intense reflections	0.2602
Weighted residual factors for all reflections included in the refinement	0.2794
Goodness-of-fit parameter for all reflections included in the refinement	1.15
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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