Crystallography Open Database

Information card for entry 7117812

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Coordinates	7117812.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H14 Co6 N12 O13
Calculated formula	C24 H13.98 Co6 N12 O13
Title of publication	Spontaneous symmetry breaking of Co(II) metal-organic frameworks from achiral precursors via asymmetrical crystallization
Authors of publication	Ya-Dong Yu; Chan Luo; Bao-Yu Liu; Xiao-Chun Huang; Dan Li
Journal of publication	Chem.Commun.
Year of publication	2015
Journal volume	51
Pages of publication	14489
a	17.5279 ± 0.0008 Å
b	17.5279 ± 0.0008 Å
c	17.5279 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	5385 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	198
Hermann-Mauguin space group symbol	P 21 3
Hall space group symbol	P 2ac 2ab 3
Residual factor for all reflections	0.0401
Residual factor for significantly intense reflections	0.0372
Weighted residual factors for significantly intense reflections	0.0977
Weighted residual factors for all reflections included in the refinement	0.0991
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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