Information card for entry 2019972

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(I) 0.18-hydrate
• Formula: C15 H17.355 Cl Cu N3 O0.18
• Calculated formula: C15 H17.3558 Cl Cu N3 O0.178
• 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: 29.2238 ± 0.0013 Å
• b: 8.2252 ± 0.0004 Å
• c: 12.8789 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3095.7 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0533
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0586
• Weighted residual factors for all reflections included in the refinement: 0.0644
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes