Information card for entry 7717028

Structure parameters

• Formula: C66 H56 B Co F24 N2
• Calculated formula: C66 H56 B Co F24 N2
• Title of publication: Analogous carbene-stabilised [MI-(η6-tol)]+ cations (M = Fe, Co, Ni): synthetic access and [carbene·MI]+ transfer
• Authors of publication: Schulz, Annika; Hadlington, Terrance John
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 12.97 ± 0.003 Å
• b: 19.245 ± 0.004 Å
• c: 25.726 ± 0.005 Å
• α: 90°
• β: 101.04 ± 0.03°
• γ: 90°
• Cell volume: 6303 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.1124
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.136
• Weighted residual factors for all reflections included in the refinement: 0.1587
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No