Information card for entry 7706525

Structure parameters

• Formula: C73 H73 B F24 Ir N P2
• Calculated formula: C73 H73 B F24 Ir N P2
• Title of publication: Synthesis and reactivity of iridium complexes of a macrocyclic PNP pincer ligand.
• Authors of publication: Hood, Thomas M.; Chaplin, Adrian B.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 7
• Pages of publication: 2472 - 2482
• a: 13.6582 ± 0.0002 Å
• b: 13.3891 ± 0.0002 Å
• c: 39.2775 ± 0.001 Å
• α: 90°
• β: 95.272 ± 0.002°
• γ: 90°
• Cell volume: 7152.3 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0756
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1087
• Weighted residual factors for all reflections included in the refinement: 0.1165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No