Information card for entry 2014641

Structure parameters

• Chemical name: catena-Poly[bis{[η^2^-3-(3-amino-1-pyridinio)propene]copper(I)}-di-μ-chloro- copper(I)-di-μ-chloro-copper(I)-di-μ-chloro]
• Formula: C16 H12 Cl6 Cu4 N4
• Calculated formula: C16 H22 Cl6 Cu4 N4
• SMILES: [Cu]12([CH](C[n+]3cc(N)ccc3)=[CH2]2)[Cl][Cu][Cl][Cu]2([CH](C[n+]3cc(N)ccc3)=[CH2]2)[Cl][Cu]2([Cl]1)[Cl][Cu]1([Cl]2)[Cl][Cu]2([CH](C[n+]3cc(N)ccc3)=[CH2]2)[Cl][Cu](Cl)(Cl)[Cl][Cu]2([Cl]1)[CH](C[n+]1cc(N)ccc1)=[CH2]2
• Title of publication: <i>catena</i>-Poly[bis[(η^2^-1-allyl-3-aminopyridinium)copper(I)]-di-μ-chloro-copper(I)-di-μ-chloro-copper(I)-di-μ-chloro]
• Authors of publication: Goreshnik, Evgeny; Schollmeyer, Dieter; Mys'kiv, Marian
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 3
• Pages of publication: m127 - m129
• a: 8.4148 ± 0.0012 Å
• b: 8.731 ± 0.0016 Å
• c: 9.8916 ± 0.0016 Å
• α: 102.177 ± 0.016°
• β: 104.587 ± 0.012°
• γ: 113.166 ± 0.013°
• Cell volume: 606.1 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0713
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.1633
• Weighted residual factors for all reflections included in the refinement: 0.1747
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes