Information card for entry 7048129

Structure parameters

• Formula: C60 H59 Cu F6 Ir N8 P
• Calculated formula: C60 H59 Cu F6 Ir N8 P
• Title of publication: A Cu-NHC based phosphorescent binuclear iridium(iii)/copper(i) complex with an unpredictable near-linear two-coordination mode.
• Authors of publication: Shi, Chao; Huang, Manli; Li, Qiuxia; Xie, Guohua; Yang, Chuluo; Yuan, Aihua
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 48
• Pages of publication: 17299 - 17303
• a: 13.565 ± 0.002 Å
• b: 14.327 ± 0.002 Å
• c: 17.823 ± 0.002 Å
• α: 70.405 ± 0.003°
• β: 69.494 ± 0.002°
• γ: 62.654 ± 0.002°
• Cell volume: 2817.7 ± 0.7 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0838
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.0808
• Weighted residual factors for all reflections included in the refinement: 0.0864
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No