Information card for entry 7011065

Structure parameters

• Formula: C34 H36 N4 O4 S2
• Calculated formula: C34 H36 N4 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: 11.2798 ± 0.0003 Å
• b: 15.2754 ± 0.0004 Å
• c: 18.9152 ± 0.0003 Å
• α: 90°
• β: 92.921 ± 0.001°
• γ: 90°
• Cell volume: 3254.92 ± 0.13 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.1532
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.1127
• Weighted residual factors for all reflections included in the refinement: 0.1456
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No