Crystallography Open Database

Information card for entry 4349443

Preview

Coordinates	4349443.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50.88 H39.75 Co F12 N6 O1.62 P2
Calculated formula	C50.875 H39.75 Co F12 N6 O1.625 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	26.3611 ± 0.0005 Å
b	26.3611 ± 0.0005 Å
c	29.3615 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	20403.5 ± 0.8 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	7
Space group number	87
Hermann-Mauguin space group symbol	I 4/m
Hall space group symbol	-I 4
Residual factor for all reflections	0.0973
Residual factor for significantly intense reflections	0.0879
Weighted residual factors for significantly intense reflections	0.1764
Weighted residual factors for all reflections included in the refinement	0.1814
Goodness-of-fit parameter for all reflections included in the refinement	1.192
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.	4349443.cif