Crystallography Open Database

Information card for entry 4340650

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Coordinates	4340650.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H20 O19 Zr3
Calculated formula	C45 H18 O19 Zr3
Title of publication	Tuning CO2 Selective Adsorption over N2 and CH4 in UiO-67 Analogues through Ligand Functionalization.
Authors of publication	Wang, Bin; Huang, Hongliang; Lv, Xiu-Liang; Xie, Yabo; Li, Ming; Li, Jian-Rong
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	17
Pages of publication	9254 - 9259
a	26.0512 ± 0.001 Å
b	26.0512 ± 0.001 Å
c	26.0512 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	17680 ± 1.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	205
Hermann-Mauguin space group symbol	P a -3
Hall space group symbol	-P 2ac 2ab 3
Residual factor for all reflections	0.1041
Residual factor for significantly intense reflections	0.0865
Weighted residual factors for significantly intense reflections	0.2048
Weighted residual factors for all reflections included in the refinement	0.2159
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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