Information card for entry 7038202

Structure parameters

• Formula: C79.5 H85 Cl F12 Ir2 N4 O2 P6
• Calculated formula: C79.5 H85 Cl F12 Ir2 N4 O2 P6
• Title of publication: Oxidative addition of an aromatic ortho C-H bond of tetraphosphine to asymmetric diiridium(i) centres.
• Authors of publication: Nakajima, Takayuki; Noda, Sayo; Sakamoto, Miyuki; Matsui, Aya; Nakamae, Kanako; Kure, Bunsho; Ura, Yasuyuki; Tanase, Tomoaki
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 11
• Pages of publication: 4747 - 4761
• a: 13.7832 ± 0.0017 Å
• b: 14.612 ± 0.002 Å
• c: 21.817 ± 0.003 Å
• α: 81.004 ± 0.006°
• β: 74.071 ± 0.005°
• γ: 81.207 ± 0.006°
• Cell volume: 4145.2 ± 1 ų
• Cell temperature: 153 K
• Ambient diffraction temperature: 153 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: 0.0679
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1624
• Weighted residual factors for all reflections included in the refinement: 0.1774
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No