Information card for entry 4327421

Structure parameters

• Formula: C30 H39 Cu N3 O4 S
• Calculated formula: C30 H39 Cu N3 O4 S
• SMILES: [Cu]123([S](CC[N]2(Cc2[n]3cccc2)Cc2cc(ccc2)C)c2c(O1)c(cc(c2)C(C)(C)C)C(C)(C)C)ON(=O)=O
• Title of publication: C-S Bond Formation Reaction between a Phenolate and Disulfide-Bridged Dicopper(I) Complexes
• Authors of publication: Takao Osako; Yoshiki Ueno; Yoshimitsu Tachi; Shinobu Itoh
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 6516 - 6518
• a: 11.227 ± 0.002 Å
• b: 13.716 ± 0.002 Å
• c: 19.488 ± 0.002 Å
• α: 90°
• β: 101.568 ± 0.009°
• γ: 90°
• Cell volume: 2940 ± 0.7 ų
• Cell temperature: 159.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for all reflections included in the refinement: 0.037
• Goodness-of-fit parameter for all reflections included in the refinement: 0.945
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No