Crystallography Open Database

Information card for entry 4131027

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Coordinates	4131027.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C144 H72 Co3 N12 Ni6 O35
Calculated formula	C144 H72 Co3 N12 Ni6 O35
Title of publication	Deciphering the Spatial Arrangement of Metals and Correlation to Reactivity in Multivariate Metal-Organic Frameworks.
Authors of publication	Liu, Qi; Cong, Hengjiang; Deng, Hexiang
Journal of publication	Journal of the American Chemical Society
Year of publication	2016
Journal volume	138
Journal issue	42
Pages of publication	13822 - 13825
a	31.7402 ± 0.0014 Å
b	31.7402 ± 0.0014 Å
c	16.7689 ± 0.0009 Å
α	90°
β	90°
γ	120°
Cell volume	14630.3 ± 1.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	191
Hermann-Mauguin space group symbol	P 6/m m m
Hall space group symbol	-P 6 2
Residual factor for all reflections	0.0902
Residual factor for significantly intense reflections	0.072
Weighted residual factors for significantly intense reflections	0.2042
Weighted residual factors for all reflections included in the refinement	0.2255
Goodness-of-fit parameter for all reflections included in the refinement	1.075
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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