Information card for entry 4065911

Structure parameters

• Formula: C40 H52 Mn2
• Calculated formula: C40 H52 Mn2
• SMILES: c1cccc(C([CH2]2[Mn]3([CH2](C(C)(C)c4ccccc4)[Mn]23CC(C)(C)c2ccccc2)CC(C)(C)c2ccccc2)(C)C)c1
• 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: 8.5025 ± 0.0008 Å
• b: 19.748 ± 0.0018 Å
• c: 10.6044 ± 0.001 Å
• α: 90°
• β: 105.424 ± 0.001°
• γ: 90°
• Cell volume: 1716.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.0714
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.1008
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No