Information card for entry 7716382

Structure parameters

• Formula: C25 H32 Cl2 F6 N3 P
• Calculated formula: C25 H32 Cl2 F6 N3 P
• 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: 14.455 ± 0.0001 Å
• b: 11.0307 ± 0.0001 Å
• c: 17.1937 ± 0.0002 Å
• α: 90°
• β: 93.714 ± 0.001°
• γ: 90°
• Cell volume: 2735.76 ± 0.04 ų
• Cell temperature: 100.2 ± 0.8 K
• Ambient diffraction temperature: 100.2 ± 0.8 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0486
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.1033
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No