Information card for entry 4065849

Structure parameters

• Formula: C26 H30 Mn O2
• Calculated formula: C26 H30 Mn O2
• SMILES: [Mn]12([O]3CCCC3)([O]3CCCC3)([CH]3=[CH]1C2c1ccccc31)C1C=Cc2ccccc12
• Title of publication: Indenyl Complexes of Manganese(II). Conformational Flexibility of the Manganese(II)−(RnC9H7−n) Bond
• Authors of publication: Crisp, Jeffrey A.; Meier, Ryan M.; Overby, Jason S.; Hanusa, Timothy P.; Rheingold, Arnold L.; Brennessel, William W.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 10
• Pages of publication: 2322
• a: 9.094 ± 0.002 Å
• b: 9.775 ± 0.003 Å
• c: 13.066 ± 0.003 Å
• α: 80.539 ± 0.004°
• β: 72.62 ± 0.004°
• γ: 71.148 ± 0.004°
• Cell volume: 1046 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.032
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.0819
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No