Information card for entry 7110381

Structure parameters

• Common name: Bis-tropp-iridium hexafluorophosphate
• Formula: C60 H54 F6 Ir O1.5 P3
• Calculated formula: C60 H54 F6 Ir O1.5 P3
• Title of publication: Synthesis of stable monomeric iridium(0) and iridium(−1) complexes
• Authors of publication: Boulmaâz, Souâd; Loss, Sandra; Schönberg, Hartmut; Deblon, Stephan; Wörle, Michael; Nesper, Reinhard; Grützmacher, Hansjörg; Mlakar, Marina
• Journal of publication: Chemical Communications
• Year of publication: 1998
• Journal issue: 23
• Pages of publication: 2623
• a: 13.382 ± 0.002 Å
• b: 30.666 ± 0.005 Å
• c: 15.611 ± 0.002 Å
• α: 90 ± 0.001°
• β: 108.913 ± 0.001°
• γ: 90 ± 0.001°
• Cell volume: 6060.5 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.1208
• Residual factor for significantly intense reflections: 0.0639
• Weighted residual factors for all reflections: 0.1791
• Weighted residual factors for significantly intense reflections: 0.1471
• Goodness-of-fit parameter for all reflections: 1.145
• Goodness-of-fit parameter for significantly intense reflections: 1.215
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No