Information card for entry 2007179

Structure parameters

• Chemical name: N,N'-dibutylthiourea-(N-salicylideneglycinato)copper(II)
• Formula: C18 H27 Cu N3 O3 S
• Calculated formula: C18 H27 Cu N3 O3 S
• SMILES: [Cu@]12([S]=C(NCCCC)NCCCC)Oc3ccccc3C=[N]1CC(=O)O2
• Title of publication: An Exact Quasi-Ferrodistortive Ordering in (<i>N</i>,<i>N</i>'-Di-<i>n</i>-butylthiourea-<i>S</i>)(<i>N</i>-salicylideneglycinato-<i>O</i>,<i>N</i>,<i>O</i>')copper(II)
• Authors of publication: Warda, Salam A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 4
• Pages of publication: 460 - 462
• a: 12.1747 ± 0.0016 Å
• b: 12.1747 ± 0.0016 Å
• c: 13.791 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2044.1 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 78
• Hermann-Mauguin space group symbol: P 43
• Hall space group symbol: P 4cw
• Residual factor for all reflections: 0.0545
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for all reflections included in the refinement: 0.0803
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No