Information card for entry 4081902

Structure parameters

• Formula: C58 H88 Cl2 F12 Ir2 N6 O2 P2
• Calculated formula: C58 H88 Cl2 F12 Ir2 N6 O2 P2
• Title of publication: Effects of Hindrance in N-Pyridyl Imidazolylidenes Coordinated to Iridium on Structure and Catalysis
• Authors of publication: Specht, Zephen G.; Grotjahn, Douglas B.; Moore, Curtis E.; Rheingold, Arnold L.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 21
• Pages of publication: 6400
• a: 12.036 ± 0.0007 Å
• b: 12.5925 ± 0.0008 Å
• c: 13.088 ± 0.0008 Å
• α: 80.127 ± 0.002°
• β: 63.055 ± 0.002°
• γ: 68.254 ± 0.002°
• Cell volume: 1642.46 ± 0.18 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0248
• Residual factor for significantly intense reflections: 0.0222
• Weighted residual factors for significantly intense reflections: 0.0538
• Weighted residual factors for all reflections included in the refinement: 0.0553
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No