Crystallography Open Database

Information card for entry 7700721

Preview

Coordinates	7700721.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H38 F6 Mn N8 O4 P
Calculated formula	C22 H38 F6 Mn N8 O4 P
Title of publication	Mononuclear manganese(iii) complexes with reduced imino nitroxide radicals by single-electron transfer and intermolecular hydrogen bonds as an intramolecular structural driving force.
Authors of publication	Lecourt, Constance; Madanamoothoo, Warren; Ferreol, Vivian; Bélanger-Desmarais, Nicolas; Khrouz, Lhoussain; Tommasino, Jean-Bernard; Reber, Christian; Desroches, Cédric; Luneau, Dominique
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	35
Pages of publication	13378 - 13387
a	7.3061 ± 0.0004 Å
b	8.0232 ± 0.0005 Å
c	13.652 ± 0.0011 Å
α	74.747 ± 0.006°
β	78.582 ± 0.005°
γ	80.791 ± 0.005°
Cell volume	751.84 ± 0.09 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0543
Residual factor for significantly intense reflections	0.0425
Weighted residual factors for all reflections included in the refinement	0.1113
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
224500 (current)	2019-11-08	cif/ Updating files of 7700721, 7700722 Original log message: Adding full bibliography for 7700721--7700722.cif.	7700721.cif
217381	2019-08-04	cif/ Adding structures of 7700721, 7700722 via cif-deposit CGI script.	7700721.cif