Crystallography Open Database

Information card for entry 7112394

Preview

Coordinates	7112394.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18.5 H30 Cl F6 Mn N8 O0.5 P
Calculated formula	C18.5 H30 Cl F6 Mn N8 O0.5 P
Title of publication	Electrochemical formation of Mn(III)-peroxo complexes supported by pentadentate amino pyridine and imidazole ligands.
Authors of publication	El Ghachtouli, Sanae; Ching, H. Y. Vincent; Lassalle-Kaiser, Benedikt; Guillot, Régis; Leto, Domenick F.; Chattopadhyay, Swarup; Jackson, Timothy A.; Dorlet, Pierre; Anxolabéhère-Mallart, Elodie
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2013
Journal volume	49
Journal issue	50
Pages of publication	5696 - 5698
a	9.5092 ± 0.0012 Å
b	10.8499 ± 0.0013 Å
c	14.27 ± 0.003 Å
α	97.998 ± 0.003°
β	98.664 ± 0.003°
γ	115.391 ± 0.002°
Cell volume	1280.2 ± 0.4 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0602
Residual factor for significantly intense reflections	0.0486
Weighted residual factors for significantly intense reflections	0.1303
Weighted residual factors for all reflections included in the refinement	0.1414
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7112394.cif
110059	2014-04-18	cif/ Adding structures of 7112393, 7112394 via cif-deposit CGI script.	7112394.cif