Information card for entry 4327272

Structure parameters

• Formula: C54 H84 Cu3 N2 O14
• Calculated formula: C54 H84 Cu3 N2 O14
• SMILES: [Cu]12([N]([C@@H]3O[C@H]4[C@@H](O[C@@H](OC4)C)[C@@H]4O[Cu]5([O]2[C@@H]34)[O]2[Cu@]3([N]([C@@H]4O[C@H]6[C@@H](O[C@@H](OC6)C)[C@H](O5)[C@@H]24)=Cc2c(O3)c(ccc2)C(C)(C)C)[OH]CCCCCCCC)=Cc2c(O1)c(ccc2)C(C)(C)C)[OH]CCCCCCCC
• Title of publication: Tri- and Tetranuclear Copper(II) Complexes Consisting of Mononuclear Cu(II) Chiral Building Blocks with a Sugar-Derived Schiff's Base Ligand
• Authors of publication: Ajay K. Sah; Tomoaki Tanase; Masahiro Mikuriya
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Pages of publication: 2083 - 2092
• a: 12.782 ± 0.008 Å
• b: 14.869 ± 0.009 Å
• c: 17.617 ± 0.01 Å
• α: 110.769 ± 0.004°
• β: 98.5016 ± 0.0017°
• γ: 109.585 ± 0.007°
• Cell volume: 2811 ± 3 ų
• Cell temperature: 153.1 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for all reflections included in the refinement: 0.0745
• Goodness-of-fit parameter for all reflections included in the refinement: 1.221
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No