Information card for entry 7122755

Structure parameters

• Formula: C36.5 H58 Cl Ir N4 Si
• Calculated formula: C36.5 H58 Cl Ir N4 Si
• Title of publication: Silyl‒pyridine‒amine pincer-ligated iridium complexes for catalytic silane deuteration via room temperature C‒D bond activation of benzene-d6
• Authors of publication: Komuro, Takashi; Osawa, Tomohiro; Suzuki, Ryuju; Mochizuki, Daiki; Higashi, Hironori; Tobita, Hiromi
• Journal of publication: Chemical Communications
• Year of publication: 2018
• a: 14.4572 ± 0.0004 Å
• b: 10.2996 ± 0.0003 Å
• c: 25.5865 ± 0.0009 Å
• α: 90°
• β: 98.7314 ± 0.0011°
• γ: 90°
• Cell volume: 3765.8 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0465
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0858
• Weighted residual factors for all reflections included in the refinement: 0.0877
• Goodness-of-fit parameter for all reflections included in the refinement: 1.246
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No