Crystallography Open Database

Information card for entry 7117810

Preview

Coordinates	7117810.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	17.4611 ± 0.0002 Å
b	17.4611 ± 0.0002 Å
c	17.4611 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	5323.72 ± 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	0.071
Residual factor for significantly intense reflections	0.0557
Weighted residual factors for significantly intense reflections	0.1594
Weighted residual factors for all reflections included in the refinement	0.1716
Goodness-of-fit parameter for all reflections included in the refinement	1.096
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	7117810.cif
158223	2015-09-22	cif/ Adding structures of 7117810, 7117811, 7117812 via cif-deposit CGI script.	7117810.cif