Information card for entry 7705693

Structure parameters

• Formula: C2 Cl Cu3 N10 O4
• Calculated formula: C2 Cl Cu3 N10 O4
• Title of publication: Synthesis and characterization of the mixed-ligand coordination polymer Cu₃Cl(N₄C-NO₂)₂.
• Authors of publication: Westwater, Bradley; Lloyd, Hayleigh J.; Vitorica-Yrezabal, Inigo J; Fong, Angela; McMaster, Patrick; Sloan, Martin; Coaker, Brian M.; Pulham, Colin R.; Portius, Peter
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 42
• Pages of publication: 14975 - 14984
• a: 10.898 ± 0.001 Å
• b: 9.2377 ± 0.0009 Å
• c: 10.368 ± 0.001 Å
• α: 90°
• β: 100.493 ± 0.01°
• γ: 90°
• Cell volume: 1026.32 ± 0.17 ų
• Cell temperature: 100 ± 0.3 K
• Ambient diffraction temperature: 100 ± 0.3 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1046
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.12
• Weighted residual factors for all reflections included in the refinement: 0.1429
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No