Information card for entry 1570356

Structure parameters

• Formula: C38 H50 B F15 N2 P4 W
• Calculated formula: C38 H50 B F15 N2 P4 W
• Title of publication: An orbitally adapted push-pull template for N₂ activation and reduction to diazene-diide.
• Authors of publication: Specklin, David; Boegli, Marie-Christine; Coffinet, Anaïs; Escomel, Léon; Vendier, Laure; Grellier, Mary; Simonneau, Antoine
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 48
• Pages of publication: 14262 - 14270
• a: 10.9692 ± 0.00003 Å
• b: 20.0639 ± 0.00004 Å
• c: 20.4791 ± 0.00004 Å
• α: 90°
• β: 101.51 ± 0.003°
• γ: 90°
• Cell volume: 4416.5 ± 0.05 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 7
• 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: 0.0254
• Residual factor for significantly intense reflections: 0.0201
• Weighted residual factors for all reflections: 0.0737
• Weighted residual factors for significantly intense reflections: 0.051
• Weighted residual factors for all reflections included in the refinement: 0.0473
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9933
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No