Information card for entry 7719581

Structure parameters

• Chemical name: Cu-SMe-ClO4
• Formula: C17 H22 Cl2 Cu N4 O8 S
• Calculated formula: C17 H22 Cl2 Cu N4 O8 S
• Title of publication: Role of heteroatom substitution on the stability and reactivity of mononuclear Cu(II)-alkylperoxo complexes.
• Authors of publication: Sahoo, Limashree; Zhang, Yi; Das, Amrit; de Visser, Sam P.; Sastri, Chivukula V.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 38
• Pages of publication: 14367 - 14375
• a: 19.498 ± 0.002 Å
• b: 10.6175 ± 0.0009 Å
• c: 22.9588 ± 0.0018 Å
• α: 90°
• β: 97.05 ± 0.004°
• γ: 90°
• Cell volume: 4717 ± 0.7 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1127
• Residual factor for significantly intense reflections: 0.0788
• Weighted residual factors for significantly intense reflections: 0.201
• Weighted residual factors for all reflections included in the refinement: 0.2332
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No