Information card for entry 2233729

Structure parameters

• Chemical name: Aqua(benzamidato-κ<i>N</i>)bis[3,5-difluoro-2-(pyridin-2-yl)phenyl- κ<i>C</i>^1^]iridium(III) methanol monosolvate
• Formula: C30 H24 F4 Ir N3 O3
• Calculated formula: C30 H20 F4 Ir N3 O3
• Title of publication: Aqua(benzamidato-κ<i>N</i>)bis[3,5-difluoro-2-(pyridin-2-yl)phenyl-κ<i>C</i>^1^]iridium(III) methanol monosolvate
• Authors of publication: Zhang, Songlin; Wu, Feng; Ding, Yuqiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: m310
• a: 29.544 ± 0.004 Å
• b: 11.6258 ± 0.0012 Å
• c: 20.247 ± 0.003 Å
• α: 90°
• β: 129.391 ± 0.002°
• γ: 90°
• Cell volume: 5374.5 ± 1.2 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0567
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.1005
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes