Information card for entry 7709773

Structure parameters

• Formula: C22 H33 B2 Li N2 O3
• Calculated formula: C22 H33 B2 Li N2 O3
• 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: 10.3563 ± 0.0008 Å
• b: 21.8893 ± 0.0014 Å
• c: 10.3852 ± 0.0008 Å
• α: 90°
• β: 101.339 ± 0.007°
• γ: 90°
• Cell volume: 2308.3 ± 0.3 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1644
• Residual factor for significantly intense reflections: 0.1169
• Weighted residual factors for significantly intense reflections: 0.3008
• Weighted residual factors for all reflections included in the refinement: 0.3323
• 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: No
• Has Fobs: No