Information card for entry 1573071

Structure parameters

• Formula: C58 H82 B2 N4 O6 Zn2
• Calculated formula: C58 H82 B2 N4 O6 Zn2
• Title of publication: Zinc borylation and reduction by a diborane(4) species <i>via</i> B-O bond formation.
• Authors of publication: Griffin, Liam P.; Aldridge, Simon
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 46
• Pages of publication: 19577 - 19582
• a: 14.94854 ± 0.00006 Å
• b: 11.8092 ± 0.00005 Å
• c: 16.28848 ± 0.00006 Å
• α: 90°
• β: 91.313 ± 0.0004°
• γ: 90°
• Cell volume: 2874.66 ± 0.02 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0323
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0858
• Weighted residual factors for all reflections included in the refinement: 0.0864
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No