Information card for entry 7129773

Structure parameters

• Formula: C29 H28 N2 S4 Zn
• Calculated formula: C29 H28 N2 S4 Zn
• Title of publication: SNS ligand-assisted catalyst activation in Zn-catalysed carbonyl hydroboration
• Authors of publication: Ataie, Saeed; Hogeterp, Seth; Ovens, Jeffrey S.; Baker, R. Tom
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 10.7382 ± 0.0009 Å
• b: 11.2465 ± 0.0011 Å
• c: 12.8901 ± 0.0012 Å
• α: 68.17 ± 0.003°
• β: 68.707 ± 0.003°
• γ: 87.56 ± 0.003°
• Cell volume: 1338.7 ± 0.2 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0785
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0748
• Weighted residual factors for all reflections included in the refinement: 0.0871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No