Information card for entry 7047066

Structure parameters

• Formula: C19 H20 B Li N6
• Calculated formula: C19 H20 B Li N6
• 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: 8.3408 ± 0.0004 Å
• b: 15.0529 ± 0.0006 Å
• c: 15.1212 ± 0.0006 Å
• α: 90°
• β: 94.024 ± 0.002°
• γ: 90°
• Cell volume: 1893.84 ± 0.14 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: 0.0455
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.0984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No