Information card for entry 7124396

Structure parameters

• Chemical name: C41H48CuN3S2
• Formula: C41 H48 Cu N3 S2
• Calculated formula: C41 H48 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: 12.955 ± 0.003 Å
• b: 15.654 ± 0.003 Å
• c: 19.26 ± 0.004 Å
• α: 90°
• β: 95.175 ± 0.013°
• γ: 90°
• Cell volume: 3890 ± 1.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298.15 K
• Number of distinct elements: 5
• 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: 0.0757
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1005
• Weighted residual factors for all reflections included in the refinement: 0.1161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No