Information card for entry 4112805

Structure parameters

• Formula: C309 H354 Ir4 N12 O27
• Calculated formula: C309 H354 Ir4 N12 O27
• Title of publication: Diastereoselective Formation of Chiral Tris-Cyclometalated Iridium (III) Complexes: Characterization and Photophysical Properties
• Authors of publication: Christine Schaffner-Hamann; Alexander von Zelewsky; Andrea Barbieri; Francesco Barigelletti; Gilles Muller; James P. Riehl; Antonia Neels
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 9339 - 9348
• a: 38.6193 ± 0.001 Å
• b: 15.8553 ± 0.0004 Å
• c: 11.3176 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6930 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0482
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1202
• Weighted residual factors for all reflections included in the refinement: 0.1229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No