Information card for entry 4072525

Structure parameters

• Formula: C55.5 H63 Cl3 Ir3 N3 O6
• Calculated formula: C55.5 H63 Cl3 Ir3 N3 O6
• Title of publication: Chiral Supramolecular Triangular Hosts: Anion Metathesis, Solution Behavior, and High Stability of the Metal Configuration
• Authors of publication: Mimassi, L.; Cordier, C.; Guyard-Duhayon, C.; Mann, B. E.; Amouri, H.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 4
• Pages of publication: 860
• a: 13.951 ± 0.007 Å
• b: 15.198 ± 0.005 Å
• c: 26.005 ± 0.01 Å
• α: 90°
• β: 100.69 ± 0.04°
• γ: 90°
• Cell volume: 5418 ± 4 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 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: 0.1014
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for all reflections: 0.1058
• Weighted residual factors for significantly intense reflections: 0.0474
• Weighted residual factors for all reflections included in the refinement: 0.0474
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1139
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No