Information card for entry 4131538

Structure parameters

• Formula: C19 H24 B2 Cl4 N4 S2 Zn
• Calculated formula: C19 H24 B2 Cl4 N4 S2 Zn
• Title of publication: Monomeric 16-Electron π-Diborene Complexes of Zn(II) and Cd(II).
• Authors of publication: Wang, Sunewang R.; Arrowsmith, Merle; Braunschweig, Holger; Dewhurst, Rian D.; Dömling, Michael; Mattock, James D.; Pranckevicius, Conor; Vargas, Alfredo
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 31
• Pages of publication: 10661 - 10664
• a: 9.5859 ± 0.0009 Å
• b: 12.2845 ± 0.001 Å
• c: 24.092 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2837 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0593
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.1112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No