Information card for entry 7715576

Structure parameters

• Formula: C22.83 H23.65 B Cl1.65 N3
• Calculated formula: C22.824 H23.648 B Cl1.648 N3
• Title of publication: Towards Structurally Versatile Mesoionic N-Heterocyclic Olefin Ligands and their Coordination to Palladium, Gold, and Boron Hydride
• Authors of publication: Ževart, Tisa; Pinter, Balazs; Lozinšek, Matic; Urankar, Damijana; Jansen-van Vuuren, Ross D; Kosmrlj, Janez
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 9.8803 ± 0.0002 Å
• b: 23.0698 ± 0.0003 Å
• c: 10.6992 ± 0.0003 Å
• α: 90°
• β: 115.988 ± 0.003°
• γ: 90°
• Cell volume: 2192.15 ± 0.1 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0461
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1161
• Weighted residual factors for all reflections included in the refinement: 0.1192
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No