Information card for entry 2243382

Structure parameters

• Chemical name: Di-μ-chlorido-bis{chlorido[methyl(pyridin-2-ylmethylidene)amine-κ^2^<i>N</i>,<i>N</i>']copper(II)}
• Formula: C14 H16 Cl4 Cu2 N4
• Calculated formula: C14 H16 Cl4 Cu2 N4
• SMILES: [n]12[Cu]3([Cl][Cu]4([n]5c(cccc5)C=[N]4C)([Cl]3)Cl)(Cl)[N](=Cc1cccc2)C
• Title of publication: Crystal structure and characterization of a new copper(II) chloride dimer with methyl(pyridin-2-ylmethylidene)amine
• Authors of publication: Vassilyeva, Olga Yu.; Buvaylo, Elena A.; Kokozay, Vladimir N.; Melnyk, Andrii K.; Skelton, Brian W.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 6
• Pages of publication: 790 - 793
• a: 7.7054 ± 0.0005 Å
• b: 7.724 ± 0.0005 Å
• c: 8.5606 ± 0.0005 Å
• α: 103.659 ± 0.005°
• β: 98.803 ± 0.005°
• γ: 110.273 ± 0.005°
• Cell volume: 448.74 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0241
• Residual factor for significantly intense reflections: 0.0207
• Weighted residual factors for significantly intense reflections: 0.0526
• Weighted residual factors for all reflections included in the refinement: 0.054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes