Crystallography Open Database

Information card for entry 4341813

Preview

Coordinates	4341813.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H52 Co N2 O4
Calculated formula	C44 H52 Co N2 O4
Title of publication	Valence Tautomeric Transitions of Three One-Dimensional Cobalt Complexes.
Authors of publication	Chen, Xiang-Yi; Wei, Rong-Jia; Zheng, Lan-Sun; Tao, Jun
Journal of publication	Inorganic chemistry
Year of publication	2014
Pages of publication	141125084744006
a	15.1825 ± 0.0012 Å
b	15.234 ± 0.0011 Å
c	16.6588 ± 0.0014 Å
α	101.638 ± 0.007°
β	96.941 ± 0.007°
γ	101.291 ± 0.006°
Cell volume	3648.8 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.1559
Residual factor for significantly intense reflections	0.0982
Weighted residual factors for significantly intense reflections	0.2482
Weighted residual factors for all reflections included in the refinement	0.2785
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179521 (current)	2016-03-24	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/18.	4341813.cif
128225	2014-12-06	cif/ Adding structures of 4341805, 4341806, 4341807, 4341808, 4341809, 4341810, 4341811, 4341812, 4341813, 4341814 via cif-deposit CGI script.	4341813.cif