Information card for entry 4080444

Structure parameters

• Formula: C23 H30 F6 Fe Mn O3 P
• Calculated formula: C23 H30 F6 Fe Mn O3 P
• SMILES: C(#[O])[Mn]1234(C#[O])([c]56([c]73([Fe]389%10%11%126([c]15([c]23(C)[c]47%10C)C)[c]1([c]8([c]9(C)[c]%12([c]%111C)C)C)C)C)C)C#[O].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Synthesis and Structures of Triple-Decker Complexes with a Bridging Tetramethylcyclopentadienyl Ligand
• Authors of publication: Ghag, Sonam K.; Tarlton, Michael L.; Henle, Ernst A.; Ochoa, Elizabeth M.; Watson, Alex W.; Zakharov, Lev N.; Watson, Eric J.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 6
• Pages of publication: 1851
• a: 8.8702 ± 0.0016 Å
• b: 9.0088 ± 0.0016 Å
• c: 15.678 ± 0.003 Å
• α: 90°
• β: 95.007 ± 0.003°
• γ: 90°
• Cell volume: 1248 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0578
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1248
• Weighted residual factors for all reflections included in the refinement: 0.1396
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No