Information card for entry 7128732

Structure parameters

• Formula: C123 H100 Cl2 F6 Ir2 N2 O18 P4 S2
• Calculated formula: C123 H100 Cl2 F6 Ir2 N2 O18 P4 S2
• Title of publication: Carbolong chemistry: nucleophilic aromatic substitution of a triflate functionalized iridapentalene.
• Authors of publication: Li, Jinhua; Lu, Zhengyu; Hua, Yuhui; Chen, Dafa; Xia, Haiping
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 68
• Pages of publication: 8464 - 8467
• a: 10.7506 ± 0.0002 Å
• b: 22.5712 ± 0.0005 Å
• c: 23.8255 ± 0.0005 Å
• α: 87.625 ± 0.001°
• β: 77.286 ± 0.001°
• γ: 81.93 ± 0.001°
• Cell volume: 5583.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0494
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1117
• Weighted residual factors for all reflections included in the refinement: 0.1124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.167
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No