Information card for entry 7106114

Structure parameters

• Formula: C33 H43 Cl F6 Ir N2 P Ru
• Calculated formula: C33 H43 Cl F6 Ir N2 P Ru
• Title of publication: Charge-induced facial-selectivity in the formation of new cationic planar chiral iridacycles derived from aniline
• Authors of publication: Jean-Pierre Djukic; Wissam Iali; Michel Pfeffer; Xavier-Frederic Le Goff
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 3631
• a: 8.671 ± 0.001 Å
• b: 13.989 ± 0.001 Å
• c: 28.862 ± 0.001 Å
• α: 90°
• β: 105.194 ± 0.002°
• γ: 90°
• Cell volume: 3378.5 ± 0.5 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.0444
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0704
• Weighted residual factors for all reflections included in the refinement: 0.0739
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No