Information card for entry 4068539

Structure parameters

• Formula: C18 H26 Mn
• Calculated formula: C18 H26 Mn
• SMILES: C(C)([c]12[cH]3[Mn]4567891([c]1([cH]4[cH]5[cH]7[cH]91)C(C)(C)C)[cH]3[cH]6[cH]28)(C)C
• Title of publication: Spin Equilibria in Monomeric Manganocenes: Solid-State Magnetic and EXAFS Studies
• Authors of publication: Walter, Marc D.; Sofield, Chadwick D.; Booth, Corwin H.; Andersen, Richard A.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 7
• Pages of publication: 2005
• a: 6.1011 ± 0.0009 Å
• b: 11.1405 ± 0.0016 Å
• c: 11.5594 ± 0.0016 Å
• α: 90°
• β: 94.922 ± 0.002°
• γ: 90°
• Cell volume: 782.79 ± 0.19 ų
• Cell temperature: 151 ± 2 K
• Ambient diffraction temperature: 151 ± 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: 0.0467
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0959
• Weighted residual factors for all reflections included in the refinement: 0.1026
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No