Information card for entry 4348485

Structure parameters

• Formula: C20 H30 B3 Ir N2 O8
• Calculated formula: C20 H30 B3 Ir N2 O8
• SMILES: [Ir]123456([O]7[B@](OB(O[B@]7(O)c7[n]2cccc7)O)(O)c2[n]1cccc2)[c]1([c]3([c]4([c]5([c]61C)C)C)C)C.O.O
• Title of publication: Organometallic Iridium Complex Containing a Dianionic, Tridentate, Mixed Organic-Inorganic Ligand.
• Authors of publication: Bloomfield, Aaron J.; Matula, Adam J.; Mercado, Brandon Q.; Batista, Victor S.; Crabtree, Robert H.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 16
• Pages of publication: 8121 - 8129
• a: 9.3069 ± 0.0002 Å
• b: 16.4356 ± 0.0003 Å
• c: 15.5445 ± 0.0003 Å
• α: 90°
• β: 100.959 ± 0.002°
• γ: 90°
• Cell volume: 2334.39 ± 0.08 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 6
• 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: 0.0452
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.1066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No