Information card for entry 7124395

Structure parameters

• Formula: C42 H52 Cu N3 S2
• Calculated formula: C42 H52 Cu N3 S2
• Title of publication: Cu(i)-SNS complexes for outer-sphere hydroboration and hydrosilylation of carbonyls.
• Authors of publication: Elsby, Matthew R.; Baker, R. Tom
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2019
• a: 12.471 ± 0.008 Å
• b: 13.794 ± 0.009 Å
• c: 13.094 ± 0.008 Å
• α: 90°
• β: 116.562 ± 0.016°
• γ: 90°
• Cell volume: 2015 ± 2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200.05 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0345
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0706
• Weighted residual factors for all reflections included in the refinement: 0.073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No