Information card for entry 8103128

Structure parameters

• Chemical name: bis(acetylacetonato-κ^2^O,O')(diacetylmethanido-κC) (3-pyridinemethanol)iridium(III), Ir(C~5~H~7~0~2~)~3~(C~6~H~7~NO)
• Formula: C21 H28 Ir N O7
• Calculated formula: C21 H28 Ir N O7
• SMILES: [Ir]12([n]3cccc(CO)c3)(OC(=CC(=[O]1)C)C)([O]=C(C)C=C(O2)C)C(C(=O)C)C(=O)C
• Title of publication: Crystal structure of bis(acetylacetonato-?2O,O')-(diacetylmethanido-?C)(3-pyridylmethanol)iridium(III), Ir(C5H7O2)3(C6H7NO)
• Authors of publication: Qiao-Wen Chang; Chang-Yi Hu; Jia-Lin Chen; Qing-Song Ye; Xi-Zhu Chen; Li-Qiao Chen; Yao Yu; Wei-Ping Liu
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2011
• Journal volume: 226
• Journal issue: 3
• Pages of publication: 355
• a: 16.9384 ± 0.0018 Å
• b: 8.0768 ± 0.0008 Å
• c: 16.2652 ± 0.0017 Å
• α: 90°
• β: 95.124 ± 0.001°
• γ: 90°
• Cell volume: 2216.3 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0355
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0498
• Weighted residual factors for all reflections included in the refinement: 0.0527
• Goodness-of-fit parameter for all reflections included in the refinement: 0.939
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No