Information card for entry 8102811

Structure parameters

• Chemical name: bis(acetylacetonato-2-O,O')dimethylsulfoxide (diacetylmethanido-κC)iridium(III) ,Ir(C~5~H~7~0~2~)~3~(C~2~H~6~SO)
• Formula: C34 H54 Ir2 O14 S2
• Calculated formula: C34 H54 Ir2 O14 S2
• Title of publication: Crystal structure of bis(acetylacetonato-k2O,O')-(diacetylmethanido-kC)-(dimethylsulfoxide-S)iridium(III), Ir(C5H7O2)3(C2H6SO)
• Authors of publication: Jing Jiang; Ming-Jin Xie; Qiao-Wen Chang; Jia-Lin Chen; Xiao-Tian Xie; Qing-Song Ye; Xi-Zhu Chen; Yao Yu; Wei-Ping Liu
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 3
• Pages of publication: 575
• a: 7.9964 ± 0.0007 Å
• b: 9.0166 ± 0.0007 Å
• c: 15.9395 ± 0.0013 Å
• α: 94.203 ± 0.001°
• β: 101.801 ± 0.001°
• γ: 111.274 ± 0.001°
• Cell volume: 1034.5 ± 0.15 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: 0.0258
• Residual factor for significantly intense reflections: 0.0229
• Weighted residual factors for significantly intense reflections: 0.0636
• Weighted residual factors for all reflections included in the refinement: 0.0782
• Goodness-of-fit parameter for all reflections included in the refinement: 1.167
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No