Crystallography Open Database

Information card for entry 4507827

Preview

Coordinates	4507827.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H30 Co N5 O6
Calculated formula	C37 H30 Co N5 O6
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	9.37 ± 0.004 Å
b	12.462 ± 0.006 Å
c	16.242 ± 0.007 Å
α	102.593 ± 0.009°
β	95.875 ± 0.008°
γ	105.085 ± 0.008°
Cell volume	1761.5 ± 1.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1017
Residual factor for significantly intense reflections	0.0874
Weighted residual factors for significantly intense reflections	0.1376
Weighted residual factors for all reflections included in the refinement	0.1577
Goodness-of-fit parameter for all reflections included in the refinement	1.004
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.	4507827.cif
87104	2013-07-14	cif/ Adding structures of 4507827 via cif-deposit CGI script.	4507827.cif