Information card for entry 4325876

Structure parameters

• Formula: C36 H34 Cl3 F4 Ir N6 O
• Calculated formula: C36 H34 Cl3 F4 Ir N6 O
• Title of publication: "Click" Synthesis of Heteroleptic Tris-Cyclometalated Iridium(III) Complexes: Cu(I) Triazolide Intermediates as Transmetalating Reagents
• Authors of publication: Shuang Liu; Peter Müller; Michael K. Takase; Timothy M. Swager
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 7598 - 7609
• a: 12.9937 ± 0.0007 Å
• b: 10.5037 ± 0.0006 Å
• c: 13.4237 ± 0.0007 Å
• α: 90°
• β: 91.495 ± 0.001°
• γ: 90°
• Cell volume: 1831.47 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0186
• Residual factor for significantly intense reflections: 0.0178
• Weighted residual factors for significantly intense reflections: 0.0441
• Weighted residual factors for all reflections included in the refinement: 0.0445
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No