Information card for entry 7007502

Structure parameters

• Formula: C21 H32 Cu N2 O6
• Calculated formula: C21 H32 Cu N2 O6
• SMILES: [Cu]12([N]([C@@H]3O[C@H]4[C@@H](O[C@@H](OC4)C)[C@H](O)[C@H]3O2)=Cc2c(O1)c(ccc2)C(C)(C)C)[NH2]CC
• 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: 6.612 ± 0.004 Å
• b: 12.23 ± 0.006 Å
• c: 14.089 ± 0.007 Å
• α: 77.465 ± 0.01°
• β: 82.337 ± 0.014°
• γ: 88.386 ± 0.016°
• Cell volume: 1102.2 ± 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: 0.0728
• Weighted residual factors for all reflections included in the refinement: 0.1926
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No