Information card for entry 2223361

Structure parameters

• Chemical name: Bis(acetylacetonato-κ^2^<i>O</i>,<i>O</i>')aqua(diacetylmethanido- κ<i>C</i>)iridium(III)
• Formula: C15 H23 Ir O7
• Calculated formula: C15 H23 Ir O7
• SMILES: [Ir]12([O]=C(C)C=C(O1)C)([O]=C(C=C(O2)C)C)([OH2])C(C(=O)C)C(=O)C
• Title of publication: Bis(acetylacetonato-κ^2^<i>O</i>,<i>O</i>')aqua(diacetylmethanido-κ<i>C</i>)iridium(III)
• Authors of publication: Chang, Qiao-Wen; Xie, Ming-Jin; Liu, Wei-Ping; Chen, Xi-Zhu; Ye, Qing-Song
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: m1264
• a: 7.7853 ± 0.0013 Å
• b: 7.9461 ± 0.0013 Å
• c: 16.362 ± 0.003 Å
• α: 77.295 ± 0.002°
• β: 77.927 ± 0.002°
• γ: 60.918 ± 0.001°
• Cell volume: 856.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0865
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1147
• Weighted residual factors for all reflections included in the refinement: 0.1267
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes