Information card for entry 7717025

Structure parameters

• Formula: C86 H84 B F24 Fe N4
• Calculated formula: C86 H84 B F24 Fe N4
• 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: 16.648 ± 0.003 Å
• b: 28.616 ± 0.006 Å
• c: 17.924 ± 0.004 Å
• α: 90°
• β: 90.43 ± 0.03°
• γ: 90°
• Cell volume: 8539 ± 3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1053
• Residual factor for significantly intense reflections: 0.0718
• Weighted residual factors for significantly intense reflections: 0.1999
• Weighted residual factors for all reflections included in the refinement: 0.2276
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No