Crystallography Open Database

Information card for entry 7130756

Preview

Coordinates	7130756.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H54 B Co F3 Fe N14 O4.5 S
Calculated formula	C46 H54 B Co F3 Fe N14 O4.5 S
Title of publication	Metal-to-metal electron transfer in a cyanido-bridged {Fe<sub>2</sub>Co<sub>2</sub>} square complex followed by X-ray diffraction and absorption techniques.
Authors of publication	Mathonière, Corine; Mitcov, Dmitri; Koumousi, Evangelia; Amorin-Rosario, Daniel; Dechambenoit, Pierre; Fatima Jafri, Sadaf; Sainctavit, Philippe; Cartier Dit Moulin, Christophe; Toupet, Loic; Trzop, Elzbieta; Collet, Eric; Arrio, Marie-Anne; Rogalev, Andrei; Wilhelm, Fabrice; Clérac, Rodolphe
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2022
Journal volume	58
Journal issue	86
Pages of publication	12098 - 12101
a	13.5817 ± 0.0009 Å
b	14.0463 ± 0.0008 Å
c	14.9259 ± 0.001 Å
α	69.516 ± 0.006°
β	89.648 ± 0.006°
γ	73.04 ± 0.006°
Cell volume	2536.7 ± 0.3 Å³
Cell temperature	240 K
Ambient diffraction temperature	240 K
Number of distinct elements	9
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2168
Residual factor for significantly intense reflections	0.0802
Weighted residual factors for significantly intense reflections	0.1056
Weighted residual factors for all reflections included in the refinement	0.1605
Goodness-of-fit parameter for all reflections included in the refinement	1.001
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
278962 (current)	2022-11-07	cif/ Updating files of 7130756, 7130757, 7130758 Original log message: Adding full bibliography for 7130756--7130758.cif.	7130756.cif
278129	2022-09-24	cif/ Adding structures of 7130756, 7130757, 7130758 via cif-deposit CGI script.	7130756.cif