Information card for entry 4119130

Structure parameters

• Formula: C24 H45 B Cl Ir N2 P2
• Calculated formula: C24 H45 B Cl Ir N2 P2
• Title of publication: Syntheses of PBP Pincer Iridium Complexes: A Supporting Boryl Ligand
• Authors of publication: Segawa, Yasutomo; Yamashita, Makoto; Nozaki, Kyoko
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Journal issue: 26
• Pages of publication: 9201 - 9203
• a: 12.2218 ± 0.0008 Å
• b: 14.4999 ± 0.0013 Å
• c: 31.323 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5550.9 ± 0.7 ų
• Cell temperature: 103.15 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.041
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0714
• Weighted residual factors for all reflections included in the refinement: 0.0733
• Goodness-of-fit parameter for all reflections included in the refinement: 1.179
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No