Information card for entry 7716383

Structure parameters

• Formula: C26 H32 B2 F8 N4
• Calculated formula: C26 H32 B2 F8 N4
• Title of publication: “Catch and Release” of the CpN3 Ligand Using Cobalt: Dissociation, Protonation, and C-H Bond Thermochemistry
• Authors of publication: Luhach, Sanju; Lalancette, Roger A.; Prokopchuk, Demyan E.
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 10.38703 ± 0.00012 Å
• b: 14.8503 ± 0.0002 Å
• c: 19.123 ± 0.0002 Å
• α: 79.816 ± 0.0011°
• β: 84.9985 ± 0.0009°
• γ: 73.8252 ± 0.0012°
• Cell volume: 2786.09 ± 0.06 ų
• Cell temperature: 99.9 ± 0.4 K
• Ambient diffraction temperature: 99.9 ± 0.4 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: 0.0473
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.1188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No