Information card for entry 7703758

Structure parameters

• Formula: C30.05 H29.1 B Cl0.1 F4 N2 O4
• Calculated formula: C30.05 H29.1 B Cl0.1 F4 N2 O4
• Title of publication: Tunable carbocation-based redox active ambiphilic ligands: synthesis, coordination and characterization.
• Authors of publication: Mei, Liangyong; Veleta, José M; Bloch, Jan; Goodman, Hannah J.; Pierce-Navarro, Dominic; Villalobos, Alejandro; Gianetti, Thomas L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 45
• Pages of publication: 16095 - 16105
• a: 13.8254 ± 0.0005 Å
• b: 13.2164 ± 0.0004 Å
• c: 15.3735 ± 0.0005 Å
• α: 90°
• β: 98.088 ± 0.003°
• γ: 90°
• Cell volume: 2781.14 ± 0.16 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.085
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1024
• Weighted residual factors for all reflections included in the refinement: 0.1179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No