Information card for entry 4086955

Structure parameters

• Formula: C56 H104 Ir2 N4 P4
• Calculated formula: C56 H104 Ir2 N4 P4
• Title of publication: Formation of Dinuclear Iridium Complexes by NHC-Supported C‒H Bond Activation
• Authors of publication: Esteruelas, Miguel A.; López, Ana M.; Oñate, Enrique; San-Torcuato, Ainhoa; Tsai, Jui-Yi; Xia, Chuanjun
• Journal of publication: Organometallics
• Year of publication: 2017
• Journal volume: 36
• Journal issue: 3
• Pages of publication: 699
• a: 10.226 ± 0.004 Å
• b: 15.478 ± 0.005 Å
• c: 19.63 ± 0.007 Å
• α: 90°
• β: 98.77 ± 0.005°
• γ: 90°
• Cell volume: 3070.7 ± 1.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0422
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.062
• Weighted residual factors for all reflections included in the refinement: 0.067
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No