Information card for entry 7101161

Structure parameters

• Formula: C40 H56 Cu3 N2 O14
• Calculated formula: C40 H56 Cu3 N2 O14
• SMILES: [Cu@]12(Oc3c(C=[N]2[C@@H]2O[C@H]4[C@@H](O[C@@H](OC4)C)[C@@H]4O[Cu]5([O]1[C@@H]24)[O]1[Cu@@]2(Oc4c(C=[N]2[C@@H]2O[C@H]6[C@@H](O[C@@H](OC6)C)[C@H](O5)[C@@H]12)cccc4C(C)(C)C)[OH]C)cccc3C(C)(C)C)[OH]C
• Title of publication: Trinuclear coordinatively labile Cu(II) complex of 4,6-O-ethylidene-beta-D-glucopyranosylamine derived Schiff base ligand and its reactivity towards primary alcohols and amines
• Authors of publication: Tomoaki Tanase; Merii Kato; Ajay Sah
• Journal of publication: Chemical Communications
• Year of publication: 2005
• Journal issue: 5
• a: 6.4406 ± 0.0002 Å
• b: 14.9072 ± 0.0005 Å
• c: 42.412 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4072 ± 0.2 ų
• Cell temperature: 153.1 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for all reflections included in the refinement: 0.05
• Goodness-of-fit parameter for all reflections included in the refinement: 0.409
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No