Information card for entry 8106788

Structure parameters

• Formula: C33 H27 Ir N2 O6
• Calculated formula: C33 H27 Ir N2 O6
• Title of publication: Crystal structure of (acetylacetonato-κ2 O:O′)bis-((1-(2-hydroxyphenyl)-3-(pyridin-2-yl)prop-2-en-1-one)-κ2 C,N)iridium(III), C33H27IrN2O6
• Authors of publication: Ren, Yun-Lai; Wang, Wen-Hui; Wang, Bin-Yu; Wang, Zhi-Qiang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 1
• Pages of publication: 71 - 73
• a: 7.484 ± 0.0011 Å
• b: 11.7312 ± 0.0017 Å
• c: 17.438 ± 0.002 Å
• α: 76.259 ± 0.002°
• β: 89.549 ± 0.002°
• γ: 74.023 ± 0.002°
• Cell volume: 1427 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0319
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0677
• Weighted residual factors for all reflections included in the refinement: 0.0697
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No