Information card for entry 2240456

Structure parameters

• Chemical name: {(But-3-en-1-yl)bis[(pyridin-2-yl)methyl]amine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''} dichloridocopper(II) diethyl ether hemisolvate
• Formula: C18 H24 Cl2 Cu N3 O0.5
• Calculated formula: C18 H24 Cl2 Cu N3 O0.5
• SMILES: C1[N]2(Cc3cccc[n]3[Cu]2([n]2c1cccc2)(Cl)Cl)CCC=C.O(CC)CC
• Title of publication: Crystal structure of {(but-3-en-1-yl)bis[(pyridin-2-yl)methyl]amine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}dichloridocopper(II) diethyl ether hemisolvate
• Authors of publication: Bussey, Katherine A.; Connell, Jennifer R.; McGlone, Annie R.; Mraz, Margaret E.; Oshin, Kayode D.; Pintauer, Tomislav; Oliver, Allen G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 3
• Pages of publication: 309 - 311
• a: 22.1614 ± 0.0013 Å
• b: 11.5738 ± 0.0005 Å
• c: 16.453 ± 0.0007 Å
• α: 90°
• β: 108.771 ± 0.001°
• γ: 90°
• Cell volume: 3995.6 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0392
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0667
• Weighted residual factors for all reflections included in the refinement: 0.0721
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes