Crystallography Open Database

Information card for entry 4507826

Preview

Coordinates	4507826.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H25 Co N5 O4
Calculated formula	C37 H25 Co N5 O4
Title of publication	Ancillary Ligands Dependent Structural Diversity of A Series of Metal‒Organic Frameworks Based on 3,5-Bis(3-carboxyphenyl)pyridine
Authors of publication	Fan, Liming; Zhang, Xiutang; Sun, Zhong; Zhang, Wei; Ding, Yuanshuai; Fan, Weiliu; Sun, Liming; Zhao, Xian; Lei, Han
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	6
Pages of publication	2462
a	9.5305 ± 0.0014 Å
b	9.8936 ± 0.0014 Å
c	16.379 ± 0.002 Å
α	90°
β	98.188 ± 0.002°
γ	90°
Cell volume	1528.6 ± 0.4 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	5
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0581
Residual factor for significantly intense reflections	0.0432
Weighted residual factors for significantly intense reflections	0.1093
Weighted residual factors for all reflections included in the refinement	0.1208
Goodness-of-fit parameter for all reflections included in the refinement	1.003
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179614 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/78.	4507826.cif
87103	2013-07-14	cif/ Adding structures of 4507826 via cif-deposit CGI script.	4507826.cif