Information card for entry 2311401

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>²,<i>N</i>⁶-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 ų
• 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 Fobs: No