Crystallography Open Database

Information card for entry 7215713

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Coordinates	7215713.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C124.5 H122.5 Co9 N23.5 O47.5
Calculated formula	C108 H72 Co9 N18 O42
Title of publication	A highly-connected metal‒organic framework based on [Co2(μ2-OH2)] units and mononuclear Co centers with high gas uptake capacity
Authors of publication	Kang, Yao; Wang, Fei
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	20
Pages of publication	4088
a	31.3858 ± 0.0014 Å
b	24.8618 ± 0.0013 Å
c	13.1852 ± 0.0007 Å
α	90°
β	112.774 ± 0.005°
γ	90°
Cell volume	9486.4 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0894
Residual factor for significantly intense reflections	0.0639
Weighted residual factors for significantly intense reflections	0.1787
Weighted residual factors for all reflections included in the refinement	0.1941
Goodness-of-fit parameter for all reflections included in the refinement	0.955
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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