Crystallography Open Database

Information card for entry 7116865

Preview

Coordinates	7116865.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	16.7335 ± 0.0004 Å
b	16.7335 ± 0.0004 Å
c	14.9637 ± 0.0012 Å
α	90°
β	90°
γ	120°
Cell volume	3628.6 ± 0.3 Å³
Cell temperature	195 ± 0.1 K
Ambient diffraction temperature	195 ± 0.1 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	0.0826
Residual factor for significantly intense reflections	0.0571
Weighted residual factors for significantly intense reflections	0.1731
Weighted residual factors for all reflections included in the refinement	0.1921
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	Yes
Has F_obs	No

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