Information card for entry 7063910

Structure parameters

• Chemical name: chloro-[(1,2,5,6-η)-cycloocta-1,5-diene]-[{9-[2-(diphenylphosphanyl)ethyl]-9λ5-borabicyclo[3.3.1]nonan-9-yl}(ethylidyne)-λ5-azane]-iridium
• Formula: C32 H43 B Cl Ir N P
• Calculated formula: C32 H43 B Cl Ir N P
• Title of publication: Primary and secondary coordination sphere Lewis acid interactions in β-phosphinoethylborane-ligated rhodium and iridium complexes
• Authors of publication: Nichols, Brian R.; Petersen, Jeffrey L.; Dolinar, Brian S.; Popp, Brian V.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2025
• Journal volume: 49
• Journal issue: 32
• Pages of publication: 14073 - 14081
• a: 9.8906 ± 0.0009 Å
• b: 12.8325 ± 0.0013 Å
• c: 13.14 ± 0.0013 Å
• α: 114.412 ± 0.002°
• β: 93.805 ± 0.002°
• γ: 92.019 ± 0.002°
• Cell volume: 1511.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0492
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.1012
• Weighted residual factors for all reflections included in the refinement: 0.1074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No