Information card for entry 1565657

Structure parameters

• Formula: C12 H20 Cl6 Cu N4 O2
• Calculated formula: C12 H20 Cl6 Cu N4 O2
• SMILES: c1(c(cc(c[nH+]1)C)N)Cl.[Cu](Cl)(Cl)([Cl-])[Cl-].O.c1(c(cc(c[nH+]1)C)N)Cl.O
• Title of publication: Syntheses, structures and properties of copper(II) and cobalt(II) complexes with 5(3)-amino-2-chloro-3(5)-methylpyridine isomer cations
• Authors of publication: Shakirova, Olga; Protsenko, Alexandra; Protsenko, Alexander; Kuratieva, Natalia; Fowles, Samantha; Turnbull, Mark M.
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 500
• Pages of publication: 119246
• a: 7.0774 ± 0.0015 Å
• b: 7.9387 ± 0.0018 Å
• c: 9.1489 ± 0.0019 Å
• α: 85.183 ± 0.007°
• β: 89.169 ± 0.006°
• γ: 89.977 ± 0.007°
• Cell volume: 512.16 ± 0.19 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0233
• Residual factor for significantly intense reflections: 0.0218
• Weighted residual factors for significantly intense reflections: 0.0604
• Weighted residual factors for all reflections included in the refinement: 0.0613
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No