Information card for entry 4346999

Structure parameters

• Formula: C4 H12 Cl2 Cu O2 S2
• Calculated formula: C4 H12 Cl2 Cu O2 S2
• Title of publication: Copper Chloride Catalysis: Do μ4-Oxido Copper Clusters Play a Significant Role?
• Authors of publication: Becker, Sabine; Dürr, Maximilian; Miska, Andreas; Becker, Jonathan; Gawlig, Christopher; Behrens, Ulrich; Ivanović-Burmazović, Ivana; Schindler, Siegfried
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 8
• Pages of publication: 3759 - 3766
• a: 7.962 ± 0.0016 Å
• b: 11.483 ± 0.002 Å
• c: 11.325 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1035.4 ± 0.3 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0288
• Residual factor for significantly intense reflections: 0.0229
• Weighted residual factors for significantly intense reflections: 0.0566
• Weighted residual factors for all reflections included in the refinement: 0.0588
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No