Information card for entry 7038197

Structure parameters

• Formula: C45 H42 Cl3 F6 Ir2 O3 P5
• Calculated formula: C45 H40 Cl3 F6 Ir2 O3 P5
• 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: 15.512 ± 0.005 Å
• b: 16.476 ± 0.005 Å
• c: 19.316 ± 0.006 Å
• α: 90°
• β: 96.487 ± 0.004°
• γ: 90°
• Cell volume: 4905 ± 3 ų
• Cell temperature: 153.1 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for all reflections included in the refinement: 0.0808
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No