Information card for entry 4076813

Structure parameters

• Formula: C63 H65 B Cl F24 Ir P2
• Calculated formula: C63 H65 B Cl F24 Ir P2
• Title of publication: Carbene Iridium(I) and Iridium(III) Complexes Containing the Metal Center in Different Stereochemical Environments†
• Authors of publication: Ortmann, Dagmara A.; Weberndörfer, Birgit; Ilg, Kerstin; Laubender, Matthias; Werner, Helmut
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 12
• Pages of publication: 2369
• a: 12.6422 ± 0.001 Å
• b: 15.2941 ± 0.001 Å
• c: 35.961 ± 0.003 Å
• α: 90°
• β: 92.732 ± 0.01°
• γ: 90°
• Cell volume: 6945.2 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0701
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1152
• Weighted residual factors for all reflections included in the refinement: 0.1259
• Goodness-of-fit parameter for all reflections included in the refinement: 0.925
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No