Information card for entry 2205288

Structure parameters

• Chemical name: Azido(2,2'-bipyridine)(η^5^-pentamethylcyclopentadienyl)iridium(III) hexafluorophosphate
• Formula: C20 H23 F6 Ir N5 P
• Calculated formula: C20 H23 F6 Ir N5 P
• SMILES: [Ir]12345(N=N#N)([n]6ccccc6c6[n]1cccc6)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Azido(2,2'-bipyridine)(η^5^-pentamethylcyclopentadienyl)iridium(III) hexafluorophosphate
• Authors of publication: Suzuki, Takayoshi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 3
• Pages of publication: m488 - m490
• a: 8.1208 ± 0.0017 Å
• b: 11.307 ± 0.004 Å
• c: 13.022 ± 0.003 Å
• α: 83.58 ± 0.02°
• β: 82.954 ± 0.019°
• γ: 79.53 ± 0.02°
• Cell volume: 1162 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0674
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1263
• Weighted residual factors for all reflections included in the refinement: 0.1381
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes