Crystallography Open Database

Information card for entry 7112002

7112001 << 7112002 >> 7112003

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Coordinates	7112002.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H36 N12 O32 Zr6
Calculated formula	C72 H36 N12 O32 Zr6
Title of publication	High gas storage capacities and stepwise adsorption in a UiO type metal-organic framework incorporating Lewis basic bipyridyl sites
Authors of publication	Liangjun Li; Sifu Tang; Chao Wang; Xiaoxia Lv; Min Jiang; Huaizhi Wu; Xuebo Zhao
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	2304
a	26.546 ± 0.0019 Å
b	26.546 ± 0.0019 Å
c	26.546 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	18707 ± 2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	202
Hermann-Mauguin space group symbol	F m -3
Hall space group symbol	-F 2 2 3
Residual factor for all reflections	0.0794
Residual factor for significantly intense reflections	0.0567
Weighted residual factors for significantly intense reflections	0.1585
Weighted residual factors for all reflections included in the refinement	0.1662
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180234 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/20.	7112002.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7112002.cif
103334	2014-02-28	cif/ Adding structures of 7112002 via cif-deposit CGI script.	7112002.cif