Information card for entry 4321349

Structure parameters

• Formula: C21 H31 Cl Cu N3 O4 S
• Calculated formula: C21 H31 Cl Cu N3 O4 S
• Title of publication: Synthesis, Structure, and H2O2-Dependent Catalytic Functions of Disulfide-Bridged Dicopper(I) and Related Thioether-Copper(I) and Thioether-Copper(II) Complexes
• Authors of publication: Takehiro Ohta; Takashi Tachiyama; Kazunari Yoshizawa; Tokio Yamabe; Takeshi Uchida; Teizo Kitagawa
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 4358 - 4369
• a: 17.78 ± 0.02 Å
• b: 17.7 ± 0.01 Å
• c: 15.75 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4957 ± 7 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0587
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.0611
• Weighted residual factors for all reflections included in the refinement: 0.0611
• Goodness-of-fit parameter for all reflections included in the refinement: 1.486
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No