Crystallography Open Database

Information card for entry 4336524

Preview

Coordinates	4336524.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	michael032b
Chemical name	michael032b
Formula	C12 H28 F6 Mn N4 O P S
Calculated formula	C12 H28 F6 Mn N4 O 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	13.571 ± 0.0019 Å
b	8.8115 ± 0.0012 Å
c	16.452 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	1967.3 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0659
Residual factor for significantly intense reflections	0.0494
Weighted residual factors for significantly intense reflections	0.1216
Weighted residual factors for all reflections included in the refinement	0.1339
Goodness-of-fit parameter for all reflections included in the refinement	1.077
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.	4336524.cif
102528	2014-02-21	cif/ Adding structures of 4336524 via cif-deposit CGI script.	4336524.cif