Information card for entry 4327271

Structure parameters

• Formula: C46 H68 Cu3 N2 O14
• Calculated formula: C46 H68 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]CCCC)=Cc2c(O1)c(ccc2)C(C)(C)C)[OH]CCCC
• 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: 8.3126 ± 0.0011 Å
• b: 11.754 ± 0.0016 Å
• c: 13.3421 ± 0.0019 Å
• α: 107.902 ± 0.004°
• β: 101.114 ± 0.005°
• γ: 93.751 ± 0.004°
• Cell volume: 1206.3 ± 0.3 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: 0.0567
• Weighted residual factors for all reflections included in the refinement: 0.0657
• Goodness-of-fit parameter for all reflections included in the refinement: 0.91
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No