Information card for entry 4065914

Structure parameters

• Formula: C36 H44 Mn2 O2
• Calculated formula: C36 H44 Mn2 O2
• SMILES: [CH2]1(c2ccccc2)[Mn]2(Cc3ccccc3)([O]3CCCC3)[CH2](c3ccccc3)[Mn]12(Cc1ccccc1)[O]1CCCC1
• 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: 11.8497 ± 0.0005 Å
• b: 10.0286 ± 0.0004 Å
• c: 14.0932 ± 0.0005 Å
• α: 90°
• β: 110.304 ± 0.001°
• γ: 90°
• Cell volume: 1570.72 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0305
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0777
• Weighted residual factors for all reflections included in the refinement: 0.0795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No