Information card for entry 4336463

Structure parameters

• Formula: C40.25 H55 Cl Ir O P2 Si
• Calculated formula: C40.25 H54.5 Cl Ir O P2 Si
• 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: 23.228 ± 0.003 Å
• b: 23.11 ± 0.003 Å
• c: 17.543 ± 0.002 Å
• α: 90°
• β: 122.11 ± 0.002°
• γ: 90°
• Cell volume: 7976.5 ± 1.7 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: 0.0547
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0753
• Weighted residual factors for all reflections included in the refinement: 0.0804
• Goodness-of-fit parameter for all reflections included in the refinement: 0.941
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No