Information card for entry 8103209

Structure parameters

• Formula: C49 H39 Ir N2 O4
• Calculated formula: C49 H39 Ir N2 O4
• Title of publication: Crystal structure of dibenzoylmethane-?2O,O'-bis[2-(2-naphthyl)-3-methoxy-6-methylpyridine-?2C2,N]iridium(III), Ir(C34H28N2O2)2(C15H11O2)
• Authors of publication: Chen Xu; Xin-Ming Dong; Xin-Qi Hao; Mao-Ping Song
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2011
• Journal volume: 226
• Journal issue: 4
• Pages of publication: 593
• a: 12.288 ± 0.0009 Å
• b: 25.0429 ± 0.0018 Å
• c: 13.1937 ± 0.0009 Å
• α: 90°
• β: 102.469 ± 0.001°
• γ: 90°
• Cell volume: 3964.3 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0246
• Residual factor for significantly intense reflections: 0.0222
• Weighted residual factors for significantly intense reflections: 0.056
• Weighted residual factors for all reflections included in the refinement: 0.0574
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No