Information card for entry 1558256

Structure parameters

• Formula: C61.88 H40.12 B2 F26 Ir N6 O2
• Calculated formula: C61.875 H40.125 B2 F26 Ir N6 O2
• Title of publication: Development of tethered dual catalysts: synergy between photo- and transition metal catalysts for enhanced catalysis.
• Authors of publication: Wang, Danfeng; Malmberg, Robert; Pernik, Indrek; Prasad, Shyamal K. K.; Roemer, Max; Venkatesan, Koushik; Schmidt, Timothy W.; Keaveney, Sinead T.; Messerle, Barbara A.
• Journal of publication: Chemical science
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 24
• Pages of publication: 6256 - 6267
• a: 18.4114 ± 0.0015 Å
• b: 18.6821 ± 0.0019 Å
• c: 22.004 ± 0.002 Å
• α: 93.733 ± 0.004°
• β: 105.248 ± 0.004°
• γ: 113.314 ± 0.003°
• Cell volume: 6582.5 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.69 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0766
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1278
• Weighted residual factors for all reflections included in the refinement: 0.1432
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No