Information card for entry 4303718

Structure parameters

• Formula: C112 H102 B2 Cl8 F48 Ir2 N4 O8 P2
• Calculated formula: C112 H102 B2 Cl8 F48 Ir2 N4 O8 P2
• 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: 12.4044 ± 0.0011 Å
• b: 14.6314 ± 0.001 Å
• c: 18.9398 ± 0.0017 Å
• α: 71.857 ± 0.004°
• β: 79.532 ± 0.003°
• γ: 87.282 ± 0.005°
• Cell volume: 3212 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1207
• Residual factor for significantly intense reflections: 0.0702
• Weighted residual factors for significantly intense reflections: 0.1516
• Weighted residual factors for all reflections included in the refinement: 0.1738
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No