Information card for entry 4068573

Structure parameters

• Formula: C22 H15 Fe Mn O3
• Calculated formula: C22 H15 Fe Mn O3
• SMILES: [Mn]1234([c]5([c]67[cH]8[Fe]9%10%11%12%13%146([cH]7[cH]9[cH]8%10)[cH]6[cH]%11[cH]%12[cH]%13[cH]%146)[cH]1[c]12[c]3(cccc1)[cH]45)(C#[O])(C#[O])C#[O]
• Title of publication: Mixed Valence Properties in Ferrocenyl-Based Bimetallic FeCp−Indenyl−MLnComplexes: Effect of the MLnGroup
• Authors of publication: Santi, Saverio; Durante, Christian; Donoli, Alessandro; Bisello, Annalisa; Orian, Laura; Ceccon, Alberto; Crociani, Laura; Benetollo, Franco
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 12
• Pages of publication: 3319
• a: 10.192 ± 0.003 Å
• b: 8.945 ± 0.002 Å
• c: 20.796 ± 0.003 Å
• α: 90°
• β: 100.87 ± 0.03°
• γ: 90°
• Cell volume: 1861.9 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0445
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.0933
• Goodness-of-fit parameter for all reflections included in the refinement: 1.27
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No