Crystallography Open Database

Information card for entry 7116862

Preview

Coordinates	7116862.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H11.33 Co O6.67
Calculated formula	C18 H11.32 Co O6.66667
Title of publication	Template-directed construction of conformational supramolecular isomers for bilayer porous metal-organic frameworks with distinct gas sorption behaviors
Authors of publication	Min Chen; Hui Zhao; Chun-Sen Liu; Xi Wang; Heng-Zhen Shi; Miao Du
Journal of publication	Chem.Commun.
Year of publication	2015
Journal volume	51
Pages of publication	6014
a	16.789 ± 0.002 Å
b	16.789 ± 0.002 Å
c	15.144 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	3696.8 ± 1 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	4
Space group number	163
Hermann-Mauguin space group symbol	P -3 1 c
Hall space group symbol	-P 3 2c
Residual factor for all reflections	0.0705
Residual factor for significantly intense reflections	0.0565
Weighted residual factors for significantly intense reflections	0.171
Weighted residual factors for all reflections included in the refinement	0.1841
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180282 (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 7/11/68.	7116862.cif
134326	2015-03-24	cif/ Adding structures of 7116862, 7116863, 7116864, 7116865, 7116866, 7116867 via cif-deposit CGI script.	7116862.cif