Information card for entry 4327274

Structure parameters

• Formula: C82 H110 Cl6 Cu4 N6 O25
• Calculated formula: C82 H99 Cl6 Cu4 N6 O25
• SMILES: [Cu]123[N]([C@@H]4O[C@H]5[C@@H](O[C@@H](OC5)C)[C@H](O)[C@H]4[O]2[Cu]24Oc5c(C=[N]4[C@@H]4O[C@H]6[C@@H](O[C@@H](OC6)C)[C@H](O)[C@H]4[O]2[Cu]24[N]([C@@H]6O[C@H]7[C@@H](O[C@@H](OC7)C)[C@H](O)[C@H]6[O]4[Cu]46Oc7c(C=[N]6[C@@H]6O[C@H]8[C@@H](O[C@@H](OC8)C)[C@H](O)[C@H]6[O]34)cccc7C(C)(C)C)=Cc3c(O2)c(ccc3)C(C)(C)C)cccc5C(C)(C)C)=Cc2c(O1)c(ccc2)C(C)(C)C.ClC(Cl)Cl.ClC(Cl)Cl.O.N#CC.N#CC
• 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: 12.7676 ± 0.0013 Å
• b: 16.6577 ± 0.0014 Å
• c: 22.081 ± 0.002 Å
• α: 90°
• β: 100.419 ± 0.0016°
• γ: 90°
• Cell volume: 4618.7 ± 0.7 ų
• Cell temperature: 153.1 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for all reflections included in the refinement: 0.0734
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No