Information card for entry 7011067

Structure parameters

• Formula: C36 H37 Cu N5 O4 S2
• Calculated formula: C36 H37 Cu N5 O4 S2
• Title of publication: Metal complexes with a chiral N4 symmetrical Schiff base. Crystal structures of the ligand and its Cu(II) and Ni(II) “mono-helicates”
• Authors of publication: Miguel Vázquez; Manuel R. Bermejo; Jesús Sanmartín; Ana M. García-Deibe; Carlos Lodeiro; José Mahía
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 6
• Pages of publication: 870 - 877
• a: 12.6852 ± 0.0002 Å
• b: 28.7169 ± 0.0003 Å
• c: 10.2814 ± 0.0002 Å
• α: 90°
• β: 106.667 ± 0.001°
• γ: 90°
• Cell volume: 3587.96 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0771
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1316
• Weighted residual factors for all reflections included in the refinement: 0.1456
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No