Information card for entry 7702284

Structure parameters

• Formula: C42 H36 Cl6 Ir N7
• Calculated formula: C42 H36 Cl6 Ir N7
• Title of publication: Azo-triazolide bis-cyclometalated Ir(iii) complexes via cyclization of 3-cyanodiarylformazanate ligands.
• Authors of publication: Mu, Ge; Wen, Zhili; Wu, Judy I-Chia; Teets, Thomas S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 12
• Pages of publication: 3775 - 3785
• a: 16.837 ± 0.003 Å
• b: 17.611 ± 0.003 Å
• c: 14.61 ± 0.003 Å
• α: 90°
• β: 108.39 ± 0.002°
• γ: 90°
• Cell volume: 4110.9 ± 1.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0338
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.0879
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No