Information card for entry 2238642

Structure parameters

• Chemical name: Azido(η^5^-pentamethylcyclopentadienyl)[2-(pyridin-2-yl)phenyl]iridium(III)
• Formula: C21 H23 Ir N4
• Calculated formula: C21 H23 Ir N4
• SMILES: [Ir]12345([n]6c(c7c5cccc7)cccc6)(N=N#N)[c]5([c]4([c]3([c]2([c]15C)C)C)C)C
• Title of publication: Azido(η^5^-pentamethylcyclopentadienyl)[2-(pyridin-2-yl)phenyl]iridium(III)
• Authors of publication: Ariyoshi, Keita; Suzuki, Takayoshi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 10
• Pages of publication: m566
• a: 15.4821 ± 0.0018 Å
• b: 7.3938 ± 0.0009 Å
• c: 15.7137 ± 0.0018 Å
• α: 90°
• β: 91.477 ± 0.004°
• γ: 90°
• Cell volume: 1798.2 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0177
• Residual factor for significantly intense reflections: 0.0172
• Weighted residual factors for significantly intense reflections: 0.0421
• Weighted residual factors for all reflections included in the refinement: 0.0424
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No