Information card for entry 4327273

Structure parameters

• Formula: C56 H88 Cu3 N2 O18
• Calculated formula: C56 H86 Cu3 N2 O18
• 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([N]([C@@H]4O[C@H]6[C@@H](O[C@@H](OC6)C)[C@H](O5)[C@@H]14)=Cc1c(O2)c(ccc1)C(C)(C)C)(OC)[O]1CCCC1)cccc3C(C)(C)C)(OC)[O]1CCCC1.O1CCCC1.O1CCCC1
• 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: 8.1487 ± 0.0001 Å
• b: 12.2359 ± 0.0001 Å
• c: 16.9972 ± 0.0003 Å
• α: 72.113 ± 0.008°
• β: 78.973 ± 0.009°
• γ: 65.529 ± 0.006°
• Cell volume: 1463.92 ± 0.1 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: 0.047
• Weighted residual factors for all reflections included in the refinement: 0.056
• Goodness-of-fit parameter for all reflections included in the refinement: 0.788
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No