Information card for entry 7705499

Structure parameters

• Formula: C16 H22 Cl2 Cu N4 O12
• Calculated formula: C16 H22 Cl2 Cu N4 O12
• Title of publication: Pyrazine-bridged Cu(ii) chains: diaquabis(n-methyl-2-pyridone)copper(ii) perchlorate complexes.
• Authors of publication: Kirkman-Davis, Emma; Witkos, Faith E.; Selmani, Veli; Monroe, Jeffrey C.; Landee, Christopher P.; Turnbull, Mark M.; Dawe, Louise N.; Polson, Matthew I. J.; Wikaira, Jan L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 39
• Pages of publication: 13693 - 13703
• a: 6.8314 ± 0.0006 Å
• b: 8.1609 ± 0.0009 Å
• c: 10.4545 ± 0.001 Å
• α: 90.984 ± 0.008°
• β: 99.5 ± 0.007°
• γ: 93.911 ± 0.008°
• Cell volume: 573.27 ± 0.1 ų
• Cell temperature: 280 ± 0.1 K
• Ambient diffraction temperature: 280 ± 0.1 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: 0.0973
• Residual factor for significantly intense reflections: 0.0792
• Weighted residual factors for significantly intense reflections: 0.206
• Weighted residual factors for all reflections included in the refinement: 0.2306
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No