Information card for entry 8103134

Structure parameters

• Chemical name: bis(acetylacetonato-κ^2^O,O')(diacetylmethanido-κC) (3-hydroxypyridine)iridium(III), Ir(C~5~H~7~0~2~)~3~(C~5~H~6~NO)
• Formula: C20 H30 Ir N O9
• Calculated formula: C20 H30 Ir N O9
• SMILES: [Ir]12([n]3cccc(O)c3)([O]=C(C)C=C(O1)C)([O]=C(C)C=C(O2)C)C(C(=O)C)C(=O)C.O.O
• Title of publication: Crystal structure of bis(acetylacetonato-?2O,O')-(diacetylmethanido-?C)(3-hydroxypyridine)iridium(III) dihydrate, Ir(C5H7O2)3(C5H5NO) · 2H2O
• Authors of publication: Qiao-Wen Chang; Chang-Yi Hu; Jia-Lin Chen; Qing-Song Ye; Xi-Zhu Chen; Yao Yu; Li-Qiao Chen; 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: 359
• a: 10.5743 ± 0.0011 Å
• b: 18.662 ± 0.0019 Å
• c: 11.888 ± 0.0012 Å
• α: 90°
• β: 94.178 ± 0.001°
• γ: 90°
• Cell volume: 2339.7 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0681
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.0909
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No