Information card for entry 7709776

Structure parameters

• Formula: C32 H52 B2 Cl Ir N2 O P2
• Calculated formula: C32 H52 B2 Cl Ir N2 O P2
• Title of publication: Synthesis and reactivity of PC(sp3)P-pincer iridium complexes bearing a diborylmethyl anion
• Authors of publication: Kishino, Masamichi; Takaoka, Satoko; Shibutani, Yuki; Kusumoto, Shuhei; Nozaki, Kyoko
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 12.0281 ± 0.0003 Å
• b: 19.0554 ± 0.0004 Å
• c: 16.3403 ± 0.0004 Å
• α: 90°
• β: 111.042 ± 0.003°
• γ: 90°
• Cell volume: 3495.46 ± 0.16 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.039
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.0903
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No