Crystallography Open Database

Information card for entry 2311401

Preview

Coordinates	2311401.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	[<i>N</i>^2^,<i>N</i>^6^-Bis(di-<i>tert</i>-butylphosphanyl)pyridine-2,6-diamine]dibromidomanganese(II)‒[bis(di-<i>tert</i>-butylphosphanyl)({6-[(di-<i>tert</i>-butylphosphanyl)amino]pyridin-2-yl}amino)phosphine oxide]dibromidomanganese(II)‒tetrahydrofuran (0.94/0.06/2)
Formula	C29 H57 Br2 Mn N3 O2.057 P2
Calculated formula	C29 H57.0016 Br2 Mn N3 O2.0569 P2
Title of publication	Crystal structure of the tetra-hydro-furan disolvate of a 94:6 solid solution of [<i>N</i><sup>2</sup>,<i>N</i><sup>6</sup>-bis-(di-<i>tert</i>-butyl-phosphan-yl)pyridine-2,6-di-amine]-dibromido-manganese(II) and its monophosphine oxide analogue.
Authors of publication	Rotter, Markus; Mastalir, Matthias; Glatz, Mathias; Stöger, Berthold; Kirchner, Karl
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2017
Journal volume	73
Journal issue	Pt 9
Pages of publication	1308 - 1311
a	11.6496 ± 0.0007 Å
b	18.5016 ± 0.0011 Å
c	17.1626 ± 0.0009 Å
α	90°
β	105.176 ± 0.0016°
γ	90°
Cell volume	3570.2 ± 0.4 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	7
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	0.064
Residual factor for significantly intense reflections	0.0394
Weighted residual factors for significantly intense reflections	0.0438
Weighted residual factors for all reflections included in the refinement	0.0453
Goodness-of-fit parameter for all reflections included in the refinement	1.92
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
245856 (current)	2019-12-25	cif/ Adding structures of 2311401 via cif-deposit CGI script.	2311401.cif