Information card for entry 7109406

Structure parameters

• Formula: C66 H134 Cu6 N12 O37
• Calculated formula: C66 H119.91 Cu6 N12 O37
• Title of publication: Enantioselective self-assembly of antiferromagnetic hexacopper(II) wheels with chiral amino acid oxamates
• Authors of publication: Thais Grancha; Jesus Ferrando-Soria; Joan Cano; Francesc Lloret; Miguel Julve; Giovanni De Munno; Donatella Armentano; Emilio Pardo
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 5942
• a: 16.8745 ± 0.0007 Å
• b: 16.8745 ± 0.0007 Å
• c: 21.0124 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5181.7 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 173
• Hermann-Mauguin space group symbol: P 63
• Hall space group symbol: P 6c
• Residual factor for all reflections: 0.0731
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1629
• Weighted residual factors for all reflections included in the refinement: 0.1842
• Goodness-of-fit parameter for all reflections included in the refinement: 1.156
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No