Crystallography Open Database

Information card for entry 7117214

Preview

Coordinates	7117214.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H40 Cd5 O34
Calculated formula	C96 H40 Cd5 O34
Title of publication	A highly robust metal-organic framework based on an aromatic 12-carboxyl ligand with highly selective adsorption of CO2 over CH4
Authors of publication	Hongming He; Yang Song; Chuanqi Zhang; Fuxing Sun; Rongrong Yuan; Zheng Bian; Lianxun Gao; Guangshan Zhu
Journal of publication	Chem.Commun.
Year of publication	2015
Journal volume	51
Pages of publication	9463
a	29.1653 ± 0.0009 Å
b	29.1653 ± 0.0009 Å
c	83.513 ± 0.006 Å
α	90°
β	90°
γ	120°
Cell volume	61520 ± 5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.1194
Residual factor for significantly intense reflections	0.0853
Weighted residual factors for significantly intense reflections	0.2596
Weighted residual factors for all reflections included in the refinement	0.3105
Goodness-of-fit parameter for all reflections included in the refinement	1.086
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
176428 (current)	2016-02-13	cif/ (antanas@kurmis) Replacing _cod_cif_authors_sg_Hall tag with _cod_original_sg_symbol_Hall tag and _cod_cif_authors_sg_H-M tag with _cod_original_sg_symbol_H-M tag in multiple entries sine the replaced tags are deprecated according to the COD CIF dictionary.	7117214.cif
137479	2015-05-28	cif/ Adding structures of 7117214 via cif-deposit CGI script.	7117214.cif