Information card for entry 1571917

Structure parameters

• Formula: C68 H60 Al2 F30 N4 P4 W
• Calculated formula: C68 H60 Al2 F30 N4 P4 W
• 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: 12.2122 ± 0.0002 Å
• b: 24.4664 ± 0.0003 Å
• c: 25.0551 ± 0.0003 Å
• α: 92.078 ± 0.001°
• β: 99.059 ± 0.002°
• γ: 92.541 ± 0.001°
• Cell volume: 7378.43 ± 0.18 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: 0.0634
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for all reflections: 0.1494
• Weighted residual factors for significantly intense reflections: 0.1472
• Weighted residual factors for all reflections included in the refinement: 0.1494
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9886
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No