Information card for entry 4088773

Structure parameters

• Chemical name: trimethyl(N,N,N',N'-tetramethylethylenediamine)manganese
• Formula: C9 H25 Mn N2
• Calculated formula: C9 H25 Mn N2
• SMILES: [Mn]1([N](CC[N]1(C)C)(C)C)(C)(C)C
• Title of publication: A Neutrally Charged Trimethylmanganese(III) Complex: Synthesis, Characterization, and Disproportionation Chemistry
• Authors of publication: Stalzer, Madelyn M.; Telser, Joshua; Krzystek, Jurek; Motta, Alessandro; Delferro, Massimiliano; Marks, Tobin J.
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 16
• Pages of publication: 2683
• a: 8.5099 ± 0.0003 Å
• b: 13.0628 ± 0.0005 Å
• c: 14.0488 ± 0.0005 Å
• α: 90°
• β: 127.285 ± 0.001°
• γ: 90°
• Cell volume: 1242.55 ± 0.08 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• 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: 0.0212
• Residual factor for significantly intense reflections: 0.0201
• Weighted residual factors for significantly intense reflections: 0.0536
• Weighted residual factors for all reflections included in the refinement: 0.0544
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No