Information card for entry 7714134

Structure parameters

• Formula: C79.5 H90 B3 Cu3 F18 N6
• Calculated formula: C79.5 H90 B3 Cu3 F18 N6
• Title of publication: Filling the gap with a bulky diaryl boron group: fluorinated and non-fluorinated copper pyrazolates fitted with a dimesityl boron moiety on the backbone
• Authors of publication: Vanga, Mukundam; Diroll, Benjamin T.; Muñoz-Castro, Alvaro; Dias, Rasika
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 16.9215 ± 0.0007 Å
• b: 16.9436 ± 0.0007 Å
• c: 17.6659 ± 0.0008 Å
• α: 72.604 ± 0.002°
• β: 69.82 ± 0.002°
• γ: 60.055 ± 0.002°
• Cell volume: 4069.1 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0617
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1014
• Weighted residual factors for all reflections included in the refinement: 0.1093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No