Crystallography Open Database

Information card for entry 4349442

Preview

Coordinates	4349442.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H22 Co F12 N6 P2
Calculated formula	C30 H22 Co F12 N6 P2
Title of publication	Synthesis, Characterization, and DFT Analysis of Bis-Terpyridyl-Based Molecular Cobalt Complexes.
Authors of publication	Aroua, Safwan; Todorova, Tanya K.; Hommes, Paul; Chamoreau, Lise-Marie; Reissig, Hans-Ulrich; Mougel, Victor; Fontecave, Marc
Journal of publication	Inorganic chemistry
Year of publication	2017
Journal volume	56
Journal issue	10
Pages of publication	5930 - 5940
a	8.7844 ± 0.0004 Å
b	8.7844 ± 0.0004 Å
c	20.285 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	1565.31 ± 0.13 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 21 1 1
Hall space group symbol	P 2xa
Residual factor for all reflections	0.0341
Residual factor for significantly intense reflections	0.0337
Weighted residual factors for significantly intense reflections	0.0876
Weighted residual factors for all reflections included in the refinement	0.0879
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation probe	x-ray
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
233992 (current)	2019-11-23	cif/ Adding structures of 4349442, 4349443, 4349444, 4349445, 4349446, 4349447, 4349448 via cif-deposit CGI script.	4349442.cif