Information card for entry 4336461

Structure parameters

• Formula: C33 H56 Cl Ir O P2 Si
• Calculated formula: C33 H56 Cl Ir O P2 Si
• SMILES: [IrH]12(Cl)([Si](CC)(CC)CC)[P](c3c4[O]2c2c(C(c4ccc3)(C)C)cccc2[P]1(C(C)C)C(C)C)(C(C)C)C(C)C
• Title of publication: POP-Pincer Silyl Complexes of Group 9: Rhodium versus Iridium
• Authors of publication: Miguel A. Esteruelas; Montserrat Oliván; Andrea Vélez
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 12108 - 12119
• a: 38.867 ± 0.003 Å
• b: 9.4817 ± 0.0008 Å
• c: 18.9847 ± 0.0016 Å
• α: 90°
• β: 90.558 ± 0.001°
• γ: 90°
• Cell volume: 6996 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0553
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1078
• Weighted residual factors for all reflections included in the refinement: 0.114
• 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