Crystallography Open Database

Information card for entry 7040577

Preview

Coordinates	7040577.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55.47 H61.93 Cl0.93 F6 Mn N2 O4 Sb
Calculated formula	C55.43 H61.86 Cl0.86 F6 Mn N2 O4 Sb
Title of publication	The structure of a one-electron oxidized Mn(iii)-bis(phenolate)dipyrrin radical complex and oxidation catalysis control via ligand-centered redox activity.
Authors of publication	Lecarme, Laureline; Chiang, Linus; Moutet, Jules; Leconte, Nicolas; Philouze, Christian; Jarjayes, Olivier; Storr, Tim; Thomas, Fabrice
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	41
Pages of publication	16325 - 16334
a	11.451 ± 0.002 Å
b	11.555 ± 0.002 Å
c	20.572 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	2722 ± 0.9 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	8
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0901
Residual factor for significantly intense reflections	0.0853
Weighted residual factors for significantly intense reflections	0.212
Weighted residual factors for all reflections included in the refinement	0.2148
Goodness-of-fit parameter for all reflections included in the refinement	1.221
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
188167 (current)	2016-11-08	cif/ Updating files of 7040576, 7040577 Original log message: Adding full bibliography for 7040576--7040577.cif.	7040577.cif
186204	2016-09-06	cif/ Adding structures of 7040576, 7040577 via cif-deposit CGI script.	7040577.cif