Information card for entry 2019975

Structure parameters

• Chemical name: Chlorido{(prop-2-en-1-yl)bis[pyridin-2-yl)methylidene]amine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}copper(II) perchlorate
• Formula: C15 H17 Cl2 Cu N3 O4
• Calculated formula: C15 H17 Cl2 Cu N3 O4
• SMILES: [Cu]12(Cl)[n]3ccccc3C[N]1(Cc1[n]2cccc1)CC=C.Cl(=O)(=O)(=O)[O-]
• Title of publication: Structural studies of (prop-2-en-1-yl)bis[(pyridin-2-yl)methylidene]amine hetero-scorpionate copper complexes
• Authors of publication: Bussey, Katherine A.; Cavalier, Annie R.; Connell, Jennifer R.; Mraz, Margaret E.; Oshin, Kayode D.; Pintauer, Tomislav; Oliver, Allen G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 7
• a: 8.426 ± 0.0012 Å
• b: 14.832 ± 0.002 Å
• c: 14.007 ± 0.002 Å
• α: 90°
• β: 101.677 ± 0.002°
• γ: 90°
• Cell volume: 1714.3 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0495
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.0981
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes