Information card for entry 4065917

Structure parameters

• Formula: C30 H34 Mn N2
• Calculated formula: C30 H34 Mn N2
• SMILES: [Mn]1([n]2c(cccc2)c2[n]1cccc2)(CC(C)(C)c1ccccc1)CC(C)(C)c1ccccc1
• Title of publication: Synthesis and Reactions of Manganese(II) Dialkyl Complexes Containing Monodentate and Bidentate Nitrogen Ligands
• Authors of publication: Cámpora, Juan; Palma, Pilar; Pérez, Carmen M.; Rodríguez-Delgado, Antonio; Álvarez, Eleuterio; Gutiérrez-Puebla, Enrique
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 13
• Pages of publication: 2960
• a: 11.1277 ± 0.0009 Å
• b: 11.1305 ± 0.0009 Å
• c: 12.8196 ± 0.001 Å
• α: 82.488 ± 0.0013°
• β: 64.918 ± 0.0013°
• γ: 64.114 ± 0.0014°
• Cell volume: 1290.9 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0395
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0806
• Weighted residual factors for all reflections included in the refinement: 0.0839
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No