Information card for entry 7047067

Structure parameters

• Formula: C23 H26 B Ir N4
• Calculated formula: C23 H26 B Ir N4
• Title of publication: Preparation and Reactivity of Rhodium and Iridium Complexes Containing a Methylborohydride Based Unit Supported by Two 7-Azaindolyl Heterocycles
• Authors of publication: Da Costa, Rosenildo Correa; Rawe, Benjamin W.; Tsoureas, Nikolaos; Haddow, Mairi F.; Sparkes, Hazel Anne; Tizzard, Graham J.; Coles, Simon; Owen, Gareth Richard
• Journal of publication: Dalton Transactions
• Year of publication: 2018
• a: 26.968 ± 0.0016 Å
• b: 26.968 ± 0.0016 Å
• c: 14.961 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 9423 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1018
• Residual factor for significantly intense reflections: 0.0661
• Weighted residual factors for significantly intense reflections: 0.1165
• Weighted residual factors for all reflections included in the refinement: 0.1283
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No