Crystallography Open Database

Information card for entry 4336523

Preview

Coordinates	4336523.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	michael027
Chemical name	michael027
Formula	C11 H28 F6 Mn N4 O2 P S
Calculated formula	C11 H28 F6 Mn N4 O2 P S
Title of publication	Synthesis and Structural Characterization of a Series of MnIIIOR Complexes, Including a Water-Soluble MnIIIOH That Promotes Aerobic Hydrogen-Atom Transfer
Authors of publication	Michael K. Coggins; Lisa M. Brines; Julie A. Kovacs
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	12383 - 12393
a	8.5318 ± 0.0006 Å
b	16.6962 ± 0.0013 Å
c	13.7039 ± 0.001 Å
α	90°
β	94.552 ± 0.003°
γ	90°
Cell volume	1945.9 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0225
Residual factor for significantly intense reflections	0.0211
Weighted residual factors for significantly intense reflections	0.0546
Weighted residual factors for all reflections included in the refinement	0.0559
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
179468 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/65.	4336523.cif
102527	2014-02-21	cif/ Adding structures of 4336523 via cif-deposit CGI script.	4336523.cif