Information card for entry 4303717

Structure parameters

• Formula: C65 H60 B F24 Ir N2 O4 P
• Calculated formula: C65 H60 B F24 Ir N2 O4 P
• Title of publication: Structure and Reactivity of New Iridium Complexes with Bis(Oxazoline)-Phosphonito Ligands
• Authors of publication: Riccardo Peloso; Roberto Pattacini; Catherine S. J. Cazin; Pierre Braunstein
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 11415 - 11424
• a: 13.753 ± 0.0003 Å
• b: 23.674 ± 0.0007 Å
• c: 24.5963 ± 0.0006 Å
• α: 90°
• β: 122.268 ± 0.002°
• γ: 90°
• Cell volume: 6771.5 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• 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: 0.1095
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1114
• Weighted residual factors for all reflections included in the refinement: 0.1258
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No