Information card for entry 4340299

Structure parameters

• Formula: C24 H15 Cl Cu2 N4 O2 S2
• Calculated formula: C24 H15 Cl Cu2 N4 O2 S2
• Title of publication: Copper(II)-Catalyzed Disulfide Scission-Stepwise Aerobic Oxidative Cleavage to Sulfinate and Sulfonate and Reductive Anaerobic Cleavage to Thiols.
• Authors of publication: Lumb, Isha; Hundal, Maninder Singh; Hundal, Geeta
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 14
• Pages of publication: 7770 - 7779
• a: 8.797 ± 0.002 Å
• b: 10.982 ± 0.002 Å
• c: 12.68 ± 0.003 Å
• α: 88.846 ± 0.007°
• β: 78.982 ± 0.008°
• γ: 69.453 ± 0.005°
• Cell volume: 1124.5 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0619
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.1029
• Weighted residual factors for all reflections included in the refinement: 0.1146
• Goodness-of-fit parameter for all reflections included in the refinement: 0.834
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No