Information card for entry 7007500

Structure parameters

• Formula: C47 H79 Cl3 Cu3 N4 O16
• Calculated formula: C47 H79 Cl3 Cu3 N4 O16
• 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(Oc4c(C=[N]3[C@@H]3O[C@H]6[C@@H](O[C@@H](OC6)C)[C@H](O5)[C@@H]23)cccc4C(C)(C)C)([OH]C)[NH2]CC)=Cc2c(O1)c(ccc2)C(C)(C)C)([OH]C)[NH2]CC.ClC(Cl)Cl.OC.OC
• Title of publication: Amine mediated proton transfer reaction and C-Cl bond activation of solvent chloroform by a trinuclear copper(II) complex of a glucopyranosylamine derived ligand.
• Authors of publication: Sah, Ajay K.; Tanase, Tomoaki
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 31
• Pages of publication: 3742 - 3751
• a: 8.0925 ± 0.0005 Å
• b: 12.2513 ± 0.0011 Å
• c: 14.9817 ± 0.0011 Å
• α: 91.958 ± 0.004°
• β: 98.528 ± 0.003°
• γ: 96.609 ± 0.004°
• Cell volume: 1457.17 ± 0.19 ų
• Cell temperature: 153.1 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for all reflections included in the refinement: 0.107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No