Information card for entry 7039079

Structure parameters

• Formula: C36 H41 Fe P Si
• Calculated formula: C36 H41 Fe P Si
• SMILES: [Fe]12345678(C9(P([Si](C)(C)C)[C]4(=[CH]3[C]2(=[CH]19)c1ccccc1)c1ccccc1)c1ccccc1)[c]1([c]5([c]6([c]7([c]81C)C)C)C)C
• Title of publication: Reaction of a 2,4,6-triphenylphosphinine ferrate anion with electrophiles: a new route to phosphacyclohexadienyl complexes.
• Authors of publication: Hoidn, Christian M.; Wolf, Robert
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 21
• Pages of publication: 8875 - 8884
• a: 10.6876 ± 0.0002 Å
• b: 16.433 ± 0.0003 Å
• c: 17.8191 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3129.56 ± 0.1 ų
• Cell temperature: 122.8 ± 0.6 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0983
• Weighted residual factors for all reflections included in the refinement: 0.1001
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No