Information card for entry 7705496

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: 23.0309 ± 0.0019 Å
• b: 6.8184 ± 0.0005 Å
• c: 7.7006 ± 0.0015 Å
• α: 90°
• β: 90.399 ± 0.011°
• γ: 90°
• Cell volume: 1209.2 ± 0.3 ų
• Cell temperature: 280 ± 0.2 K
• Ambient diffraction temperature: 280 ± 2 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.1089
• Weighted residual factors for all reflections included in the refinement: 0.1174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No