Information card for entry 7045208

Structure parameters

• Formula: C49 H67 Cl2 Ir N2 P2
• Calculated formula: C49 H67 Cl2 Ir N2 P2
• Title of publication: Iridium complexes of perimidine-based N-heterocyclic carbene pincer ligands via aminal C-H activation.
• Authors of publication: Hill, Anthony F.; Ma, Chenxi; McQueen, Caitlin M. A.; Ward, Jas S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 5
• Pages of publication: 1577 - 1587
• a: 12.3421 ± 0.0004 Å
• b: 13.5109 ± 0.0004 Å
• c: 14.2016 ± 0.0003 Å
• α: 98.466 ± 0.0019°
• β: 94.79 ± 0.002°
• γ: 100.272 ± 0.0013°
• Cell volume: 2290.11 ± 0.11 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0792
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for all reflections: 0.1112
• Weighted residual factors for significantly intense reflections: 0.1026
• Weighted residual factors for all reflections included in the refinement: 0.1112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No