Information card for entry 7039692

Structure parameters

• Formula: C42 H36 Ir N3 O4
• Calculated formula: C42 H36 Ir N3 O4
• Title of publication: The use of organolithium reagents for the synthesis of 4-aryl-2-phenylpyridines and their corresponding iridium(iii) complexes.
• Authors of publication: Davidson, Ross; Hsu, Yu-Ting; Batchelor, Thomas; Yufit, Dmitry; Beeby, Andrew
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 28
• Pages of publication: 11496 - 11507
• a: 11.2366 ± 0.0004 Å
• b: 12.7646 ± 0.0006 Å
• c: 13.7741 ± 0.0006 Å
• α: 102.782 ± 0.004°
• β: 108.667 ± 0.004°
• γ: 107.287 ± 0.004°
• Cell volume: 1674.3 ± 0.16 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.0746
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1031
• Weighted residual factors for all reflections included in the refinement: 0.1132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No