Information card for entry 2013618

Structure parameters

• Chemical name: 1-allyl-2-aminopyridinium di-μ-(chloro/bromo)-bis[(chloro/bromo)copper(II)]
• Formula: C16 H22 Br2.2 Cl1.8 Cu2 N4
• Calculated formula: C16 H22 Br2.202 Cl1.798 Cu2 N4
• Title of publication: Influence of Cl/Br substitution on the stereochemical peculiarities of copper(I) π-complexes with the 1-allyl-2-aminopyridinium cation
• Authors of publication: Goreshnik, Evgeny; Schollmeier, Dieter; Mys'kiv, Marian
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 11
• Pages of publication: m478 - m481
• a: 6.8847 ± 0.0005 Å
• b: 8.6835 ± 0.0012 Å
• c: 9.6042 ± 0.0014 Å
• α: 78.096 ± 0.012°
• β: 74.172 ± 0.009°
• γ: 73.642 ± 0.009°
• Cell volume: 524.8 ± 0.12 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0362
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0971
• Weighted residual factors for all reflections included in the refinement: 0.0973
• Goodness-of-fit parameter for all reflections included in the refinement: 1.178
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes