Information card for entry 7713909

Structure parameters

• Formula: C87 H94 Cl2 F6 I3 Ir2 N4 P5 Si2
• Calculated formula: C87 H94 Cl2 I3 Ir2 N4 P4 Si2
• SMILES: C1[Ir]234([P](c5ccccc5)(c5ccccc5)N(c5ccc(cc5)C)[Si]1(C)N(c1ccc(cc1)C)[P]2(c1ccccc1)c1ccccc1)[I][Ir]12(C[Si](C)(N(c5ccc(cc5)C)[P]1(c1ccccc1)c1ccccc1)N(c1ccc(cc1)C)[P]2(c1ccccc1)c1ccccc1)([I]3)[I]4.C(Cl)Cl.CCCCCC
• 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: 21.602 ± 0.009 Å
• b: 18.519 ± 0.008 Å
• c: 22.985 ± 0.01 Å
• α: 90°
• β: 104.342 ± 0.008°
• γ: 90°
• Cell volume: 8909 ± 7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• 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: 0.0433
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.07
• Weighted residual factors for all reflections included in the refinement: 0.0754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No