Information card for entry 7700869

Structure parameters

• Formula: C62 H58 Ir N5 O4
• Calculated formula: C62 H58 Ir N5 O4
• Title of publication: Simple fluorene oxadiazole-based Ir(iii) complexes with AIPE properties: synthesis, explosive detection and electroluminescence studies.
• Authors of publication: Liu, Jia-Wei; Xu, Ya-Nan; Qin, Chun-Yan; Wang, Zi-Ning; Wu, Cong-Jin; Li, Yong-Hua; Wang, Shi; Zhang, Kenneth Yin; Huang, Wei
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 35
• Pages of publication: 13305 - 13314
• a: 15.139 ± 0.006 Å
• b: 15.844 ± 0.006 Å
• c: 16.702 ± 0.007 Å
• α: 64.615 ± 0.007°
• β: 76.626 ± 0.009°
• γ: 61.703 ± 0.008°
• Cell volume: 3185 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1151
• Residual factor for significantly intense reflections: 0.0822
• Weighted residual factors for significantly intense reflections: 0.1926
• Weighted residual factors for all reflections included in the refinement: 0.2094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No