Crystallography Open Database

Information card for entry 4336195

Preview

Coordinates	4336195.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H51.5 Cl2 Co N2 O11.25 P3 S6 Tb
Calculated formula	C43 H51.5 Cl2 Co N2 O11.25 P3 S6 Tb
Title of publication	Seven-Coordinate Lanthanide Sandwich-Type Complexes with a Tetrathiafulvalene-Fused Schiff Base Ligand
Authors of publication	Feng Gao; Long Cui; Wei Liu; Liang Hu; Yu-Wu Zhong; Yi-Zhi Li; Jing-Lin Zuo
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	11164 - 11172
a	14.8268 ± 0.0017 Å
b	19.9048 ± 0.0016 Å
c	20.3778 ± 0.0017 Å
α	90°
β	105.3 ± 0.003°
γ	90°
Cell volume	5800.8 ± 0.9 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	9
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0591
Residual factor for significantly intense reflections	0.0487
Weighted residual factors for significantly intense reflections	0.1094
Weighted residual factors for all reflections included in the refinement	0.1112
Goodness-of-fit parameter for all reflections included in the refinement	1.072
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4336195.cif
102170	2014-02-19	cif/ Adding structures of 4336195 via cif-deposit CGI script.	4336195.cif