Information card for entry 7018160

Structure parameters

• Formula: C12 H32 Cu3 N6 O10
• Calculated formula: C12 H32 Cu3 N6 O10
• SMILES: C1CC[NH2][Cu]23[O]1[Cu]1([O]4[Cu]5([NH2]CCC4)[NH2]CCC[O]15)([O]3CCC[NH2]2)ON(=O)=O.N(=O)(=O)[O-]
• Title of publication: Synthesis, crystal structures and magnetic properties of bis(μ-dialkoxo)-bridged linear trinuclear copper(ii) complexes with aminoalcohol ligands: a theoretical/experimental magneto-structural study.
• Authors of publication: Seppälä, Petri; Colacio, Enrique; Mota, Antonio J.; Sillanpää, Reijo
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 9
• Pages of publication: 2648 - 2658
• a: 20.6448 ± 0.0003 Å
• b: 12.9186 ± 0.0002 Å
• c: 19.274 ± 0.0003 Å
• α: 90°
• β: 119.834 ± 0.001°
• γ: 90°
• Cell volume: 4459.16 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0462
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.071
• Weighted residual factors for all reflections included in the refinement: 0.0746
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No