Information card for entry 4323847

Structure parameters

• Common name: [Cp*IrCl(dab)](PF6)
• Formula: C28 H35 Cl F6 Ir N2 P
• Calculated formula: C28 H40 Cl F6 Ir N2 P
• Title of publication: Cp*Ir(dab) (dab = 1,4-Bis(2,6-dimethylphenyl)-1,4-diazabutadiene): A Coordinatively Unsaturated Six-π-Electron Metallaheteroaromatic Compound?
• Authors of publication: Stefan Greulich; Wolfgang Kaim; Andreas F. Stange; Hermann Stoll; Jan Fiedler; Stanislav Záliš
• Journal of publication: Inorganic Chemistry
• Year of publication: 1996
• Journal volume: 35
• Pages of publication: 3998 - 4002
• a: 16.187 ± 0.002 Å
• b: 15.823 ± 0.002 Å
• c: 11.677 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2990.8 ± 0.6 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 7
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0843
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for all reflections: 0.1644
• Weighted residual factors for significantly intense reflections: 0.1454
• Goodness-of-fit parameter for all reflections: 1.041
• Goodness-of-fit parameter for significantly intense reflections: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No