Information card for entry 7710796

Structure parameters

• Formula: C30 H38 Cl Ir N P Si
• Calculated formula: C30 H38 Cl Ir N P Si
• SMILES: [CH]1(=[CH]2CC[CH]3=[CH]4CC1)[Ir]234(Cl)[P](c1ccccc1)(c1ccccc1)N(c1ccc(cc1)C)[Si](C)(C)C
• Title of publication: Cyclometalated iridium complexes based on monodentate aminophosphanes
• Authors of publication: Palmese, Marco; Pérez-Torrente, Jesús J.; Passarelli, Vincenzo
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 9.416 ± 0.001 Å
• b: 10.5553 ± 0.0011 Å
• c: 14.9182 ± 0.0016 Å
• α: 86.096 ± 0.001°
• β: 74.77 ± 0.001°
• γ: 76.941 ± 0.001°
• Cell volume: 1393.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0122
• Residual factor for significantly intense reflections: 0.0115
• Weighted residual factors for significantly intense reflections: 0.0259
• Weighted residual factors for all reflections included in the refinement: 0.0261
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No