Information card for entry 1518325

Structure parameters

• Formula: C18 H21 Cu N3 O3 S
• Calculated formula: C18 H21 Cu N3 O3 S
• Title of publication: Versatile coordination behaviour of a multi-dentate Schiff base with manganese(II), copper(II) and zinc(II) ions and their corrosion inhibition study
• Authors of publication: Mishra, Monika; Tiwari, Karishma; Singh, Ashish Kumar; Singh, Vinod P.
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2015
• Journal volume: 425
• Pages of publication: 36 - 45
• a: 10.1639 ± 0.0004 Å
• b: 9.6526 ± 0.0003 Å
• c: 18.9701 ± 0.0006 Å
• α: 90°
• β: 91.74 ± 0.003°
• γ: 90°
• Cell volume: 1860.26 ± 0.11 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: 0.0473
• Weighted residual factors for significantly intense reflections: 0.0975
• Weighted residual factors for all reflections included in the refinement: 0.1097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No