Information card for entry 2217708

Structure parameters

• Chemical name: [2-(Phenyldiazenyl)pyrrolato]bis(2-pyridylphenyl)iridium(III)
• Formula: C32 H24 Ir N5
• Calculated formula: C32 H24 Ir N5
• SMILES: [Ir]123([N](=Nc4n1ccc4)c1ccccc1)([n]1ccccc1c1ccccc21)[n]1c(c2c3cccc2)cccc1
• Title of publication: [2-(Phenyldiazenyl)pyrrolato]bis(2-pyridylphenyl)iridium(III)
• Authors of publication: Li, Wen-Ying; Mao, Li-Sheng; Lu, Long; He, Hong-Wu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 3
• Pages of publication: m490
• a: 17.5606 ± 0.0014 Å
• b: 11.0213 ± 0.0009 Å
• c: 26.673 ± 0.002 Å
• α: 90°
• β: 93.282 ± 0.001°
• γ: 90°
• Cell volume: 5153.8 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0597
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1033
• Weighted residual factors for all reflections included in the refinement: 0.1071
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes