Crystallography Open Database

Information card for entry 1562103

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Coordinates	1562103.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H26 N0 O16 Zr3
Calculated formula	C48 H24 O16 Zr3
Title of publication	A high surface area Zr(IV)-based metal‒organic framework showing stepwise gas adsorption and selective dye uptake
Authors of publication	Lv, Xiu-Liang; Tong, Minman; Huang, Hongliang; Wang, Bin; Gan, Lei; Yang, Qingyuan; Zhong, Chongli; Li, Jian-Rong
Journal of publication	Journal of Solid State Chemistry
Year of publication	2015
Journal volume	223
Pages of publication	104 - 108
a	30.2029 ± 0.0013 Å
b	30.2029 ± 0.0013 Å
c	30.2029 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	27552 ± 2 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	5
Space group number	225
Hermann-Mauguin space group symbol	F m -3 m
Hall space group symbol	-F 4 2 3
Residual factor for all reflections	0.0718
Residual factor for significantly intense reflections	0.0565
Weighted residual factors for significantly intense reflections	0.1744
Weighted residual factors for all reflections included in the refinement	0.1827
Goodness-of-fit parameter for all reflections included in the refinement	1.119
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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