Information card for entry 7128737

Structure parameters

• Formula: C50 H50 B N7 O4 P Sc
• Calculated formula: C50 H50 B N7 O4 P Sc
• Title of publication: A monoanionic pentadentate ligand platform for scandium-pnictogen multiple bonds.
• Authors of publication: Patrick, Evan A.; Yang, Yan; Piers, Warren E.; Maron, Laurent; Gelfand, Benjamin S.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 69
• Pages of publication: 8640 - 8643
• a: 8.7025 ± 0.0003 Å
• b: 12.7011 ± 0.0004 Å
• c: 21.2188 ± 0.001 Å
• α: 90.965 ± 0.003°
• β: 91.117 ± 0.003°
• γ: 101.418 ± 0.002°
• Cell volume: 2297.98 ± 0.15 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.0652
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1284
• Weighted residual factors for all reflections included in the refinement: 0.1355
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No