Information card for entry 1571916

Structure parameters

• Formula: C30 H32 Al Cr F15 N4 P4
• Calculated formula: C30 H32 Al Cr F15 N4 P4
• SMILES: [Cr]12([P](CC[P]2(C)C)(C)C)([P](C)(C)CC[P]1(C)C)([N]#N)[N]#[N][Al](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: Coordination of Al(C₆F₅)₃ <i>vs.</i> B(C₆F₅)₃ on group 6 end-on dinitrogen complexes: chemical and structural divergences.
• Authors of publication: Escomel, Léon; Martins, Frederico F.; Vendier, Laure; Coffinet, Anaïs; Queyriaux, Nicolas; Krewald, Vera; Simonneau, Antoine
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 29
• Pages of publication: 11321 - 11336
• a: 10.01668 ± 0.00016 Å
• b: 12.25253 ± 0.00019 Å
• c: 17.2703 ± 0.0003 Å
• α: 79.313 ± 0.0013°
• β: 88.9694 ± 0.0013°
• γ: 70.6686 ± 0.0014°
• Cell volume: 1963.23 ± 0.06 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for all reflections: 0.1141
• Weighted residual factors for significantly intense reflections: 0.1118
• Weighted residual factors for all reflections included in the refinement: 0.1141
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No