Information card for entry 7103265

Structure parameters

• Formula: C21 H25 B F4 Ir N3 O
• Calculated formula: C21 H25 B F4 Ir N3 O
• Title of publication: Hydrogen bonding-assisted tautomerization of pyridine moieties in the coordination sphere of an Ir(I) complex.
• Authors of publication: Song, Guoyong; Li, Yongxin; Chen, Shanshan; Li, Xingwei
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 30
• Pages of publication: 3558 - 3560
• a: 7.7588 ± 0.0002 Å
• b: 16.9174 ± 0.0005 Å
• c: 15.9163 ± 0.0005 Å
• α: 90°
• β: 103.747 ± 0.001°
• γ: 90°
• Cell volume: 2029.31 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0246
• Residual factor for significantly intense reflections: 0.0179
• Weighted residual factors for significantly intense reflections: 0.0411
• Weighted residual factors for all reflections included in the refinement: 0.0451
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No