Information card for entry 7111759

Structure parameters

• Common name: pentakis(trimethylphosphine)iridium(i) bis(3,5- trifluoromethyl) pyrazolate
• Chemical name: pentakis(trimethylphosphine)iridium(I) bis(3,5-trifluoromethyl) pyrazolate
• Formula: C20 H46 F6 Ir N2 P5
• Calculated formula: C20 H46 F6 Ir N2 P5
• Title of publication: Synthesis and structures of the homoleptic cations [M(PMe3)5]+ (M = Rh, Ir)
• Authors of publication: Rivers, Joseph H.; Jones, Richard A.
• Journal of publication: Chemical Communications
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 24
• Pages of publication: 4300 - 4302
• a: 9.4552 ± 0.0008 Å
• b: 12.086 ± 0.001 Å
• c: 14.515 ± 0.0013 Å
• α: 88.571 ± 0.003°
• β: 75.866 ± 0.002°
• γ: 77.06 ± 0.002°
• Cell volume: 1566.9 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0839
• Residual factor for significantly intense reflections: 0.0759
• Weighted residual factors for significantly intense reflections: 0.1897
• Weighted residual factors for all reflections included in the refinement: 0.1996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.17
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No