Crystallography Open Database

Information card for entry 7245749

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Coordinates	7245749.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H28 O33 Zn6
Calculated formula	C60 H27.9997 O32.9999 Zn6
Title of publication	A novel trigonal bipyramidal cage-based Zn(ii)-MOF featuring two types of trinuclear clusters with high gas sorption properties
Authors of publication	Duan, Hai-Yu; Li, Xiu-Yuan; Zhang, Chen-Xu; He, Chaozheng
Journal of publication	CrystEngComm
Year of publication	2022
a	16.5095 ± 0.0007 Å
b	16.5095 ± 0.0007 Å
c	24.5306 ± 0.0018 Å
α	90°
β	90°
γ	120°
Cell volume	5790.4 ± 0.5 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	4
Space group number	159
Hermann-Mauguin space group symbol	P 3 1 c
Hall space group symbol	P 3 -2c
Residual factor for all reflections	0.1441
Residual factor for significantly intense reflections	0.0983
Weighted residual factors for significantly intense reflections	0.2551
Weighted residual factors for all reflections included in the refinement	0.2831
Goodness-of-fit parameter for all reflections included in the refinement	0.901
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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