Information card for entry 4080077

Structure parameters

• Formula: C18 H15 F4 Ir N O
• Calculated formula: C18 H15 F4 Ir N O
• Title of publication: Photochemical Reaction of Cp*Ir(CO)2with C6F5X (X = CN, F): Formation of Diiridium(II) Complexes
• Authors of publication: Mak, Kar Hang Garvin; Chan, Pek Ke; Fan, Wai Yip; Ganguly, Rakesh; Leong, Weng Kee
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 4
• Pages of publication: 1053
• a: 8.445 ± 0.0004 Å
• b: 9.4692 ± 0.0005 Å
• c: 11.7555 ± 0.0006 Å
• α: 71.959 ± 0.003°
• β: 76.304 ± 0.003°
• γ: 65.008 ± 0.003°
• Cell volume: 804 ± 0.07 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 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: 0.0547
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0797
• Weighted residual factors for all reflections included in the refinement: 0.0847
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No