Information card for entry 7039077

Structure parameters

• Formula: C45 H48 B Fe O5 P
• Calculated formula: C45 H48 B Fe O5 P
• 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: 11.4433 ± 0.0003 Å
• b: 12.5938 ± 0.0003 Å
• c: 15.2161 ± 0.0005 Å
• α: 99.662 ± 0.003°
• β: 105.624 ± 0.003°
• γ: 108.818 ± 0.003°
• Cell volume: 1919.34 ± 0.12 ų
• Cell temperature: 123.01 ± 0.1 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0347
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.0913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No