Crystallography Open Database

Information card for entry 2311410

Preview

Coordinates	2311410.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Bis(3,5-dimethoxy-2-{[2-(pyridin-2-yl)ethylimino-κ<i>N</i>]methyl}phenolato-κ<i>O</i>)bis(dimethyl sulfoxide)manganese(III) perchlorate methanol 0.774-solvate
Formula	C36.77 H49.1 Cl Mn N4 O12.77 S2
Calculated formula	C36.774 H49.096 Cl Mn N4 O12.774 S2
Title of publication	Bis(3,5-dimeth-oxy-2-{[2-(pyridin-2-yl)ethyl-imino-κ<i>N</i>]-meth-yl}phenolato-κ<i>O</i>)bis-(dimethyl sulfoxide)-manganese(III) perchlorate methanol 0.774-solvate.
Authors of publication	Egekenze, Rita; Gultneh, Yilma; Butcher, Ray J.
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2017
Journal volume	73
Journal issue	Pt 10
Pages of publication	1479 - 1482
a	8.073 ± 0.0004 Å
b	11.0143 ± 0.0004 Å
c	23.0453 ± 0.0007 Å
α	87.54 ± 0.003°
β	89.175 ± 0.003°
γ	87.729 ± 0.003°
Cell volume	2045.49 ± 0.14 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 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	0.0782
Residual factor for significantly intense reflections	0.0603
Weighted residual factors for significantly intense reflections	0.1387
Weighted residual factors for all reflections included in the refinement	0.1487
Goodness-of-fit parameter for all reflections included in the refinement	1.103
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
245863 (current)	2019-12-25	cif/ Adding structures of 2311410 via cif-deposit CGI script.	2311410.cif