Information card for entry 7012377

Structure parameters

• Common name: [Fe(OCPh3)(MesNPPh2CHPPh2NMes)]
• Formula: C62 H58 Fe N2 O P2
• Calculated formula: C62 H58 Fe N2 O P2
• Title of publication: Tuning low-coordinate metal environments: high spin d5‒d7 complexes supported by bis(phosphinimino)methyl ligation
• Authors of publication: Evans, David J.; Hill, Michael S.; Hitchcock, Peter B.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 4
• Pages of publication: 570
• a: 10.4976 ± 0.0002 Å
• b: 12.7168 ± 0.0002 Å
• c: 19.7847 ± 0.0004 Å
• α: 92.801 ± 0.001°
• β: 92.638 ± 0.001°
• γ: 107.006 ± 0.001°
• Cell volume: 2517.64 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0897
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1054
• Weighted residual factors for all reflections included in the refinement: 0.1189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No