Information card for entry 2020935

Structure parameters

• Chemical name: {2-[Bis(diisopropylphosphanyl)methyl]-6-methylpyridine-\ κ^2^<i>P</i>,<i>P</i>'}bromidotricarbonylmanganese(I)
• Formula: C22 H35 Br Mn N O3 P2
• Calculated formula: C22 H35 Br Mn N O3 P2
• SMILES: Br[Mn]1(C#[O])(C#[O])(C#[O])[P](C(c2cccc(C)n2)[P]1(C(C)C)C(C)C)(C(C)C)C(C)C
• Title of publication: Synthesis and coordination chemistry of the PPN ligand 2-[bis(diisopropylphosphanyl)methyl]-6-methylpyridine
• Authors of publication: Han, Delong; Andres, Benjamin; Spannenberg, Anke; Beweries, Torsten
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 11
• Pages of publication: 917 - 922
• a: 10.6732 ± 0.0005 Å
• b: 15.6935 ± 0.0008 Å
• c: 15.1651 ± 0.0007 Å
• α: 90°
• β: 96.0732 ± 0.0008°
• γ: 90°
• Cell volume: 2525.9 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0277
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0643
• Weighted residual factors for all reflections included in the refinement: 0.0661
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes