Information card for entry 7702286

Structure parameters

• Formula: C40 H30 F4 Ir N7
• Calculated formula: C40 H30 F4 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: 9.724 ± 0.004 Å
• b: 12.386 ± 0.005 Å
• c: 15.409 ± 0.006 Å
• α: 83.506 ± 0.004°
• β: 86.618 ± 0.004°
• γ: 67.247 ± 0.003°
• Cell volume: 1700.2 ± 1.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0468
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0825
• Weighted residual factors for all reflections included in the refinement: 0.0886
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No