Information card for entry 7713908

Structure parameters

• Formula: C45 H49 Cl6 Ir N2 P2 Si
• Calculated formula: C44.999 H48.998 Cl5.998 Ir N2 P2 Si
• Title of publication: Reactivity of Ir(I)-aminophosphane platforms towards oxidants
• Authors of publication: Passarelli, Vincenzo; Pérez-Torrente, Jesús J.; Palmese, Marco
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 9.7848 ± 0.0005 Å
• b: 24.176 ± 0.0013 Å
• c: 19.451 ± 0.001 Å
• α: 90°
• β: 91.103 ± 0.001°
• γ: 90°
• Cell volume: 4600.4 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0349
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0731
• Weighted residual factors for all reflections included in the refinement: 0.0762
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No