Crystallography Open Database

Information card for entry 7117811

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Coordinates	7117811.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H15 Co6 N13 O12
Calculated formula	C24 H14.97 Co6 N13 O12
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	17.4882 ± 0.0002 Å
b	17.4882 ± 0.0002 Å
c	17.4882 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	5348.54 ± 0.11 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	0.0393
Residual factor for significantly intense reflections	0.0378
Weighted residual factors for significantly intense reflections	0.1065
Weighted residual factors for all reflections included in the refinement	0.1075
Goodness-of-fit parameter for all reflections included in the refinement	1.09
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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