Information card for entry 7106112

Structure parameters

• Formula: C23 H28 Cl Ir N2
• Calculated formula: C23 H28 Cl Ir N2
• SMILES: [Ir]12345(Cl)([n]6c(c7c1cc(N(C)C)cc7)cccc6)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C
• 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: 16.5371 ± 0.0006 Å
• b: 7.5131 ± 0.0003 Å
• c: 20.9885 ± 0.0006 Å
• α: 90°
• β: 128.903 ± 0.002°
• γ: 90°
• Cell volume: 2029.35 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0278
• Residual factor for significantly intense reflections: 0.0231
• Weighted residual factors for significantly intense reflections: 0.0504
• Weighted residual factors for all reflections included in the refinement: 0.0523
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No