Information card for entry 7059099

Structure parameters

• Formula: C52 H80 Cu4 N12 O14
• Calculated formula: C52 H80 Cu4 N12 O14
• Title of publication: Syntheses, crystal structures, magnetochemistry and catechol oxidase activity of a tetracopper(ii) compound and a new type of dicopper(ii)-based 1D coordination polymer
• Authors of publication: Mandal, Leena; Mandal, Shuvankar; Mohanta, Sasankasekhar
• Journal of publication: New Journal of Chemistry
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 11
• Pages of publication: 4689
• a: 11.885 ± 0.003 Å
• b: 11.937 ± 0.003 Å
• c: 12.243 ± 0.003 Å
• α: 113.592 ± 0.003°
• β: 107.578 ± 0.003°
• γ: 91.012 ± 0.003°
• Cell volume: 1498.2 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0859
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.128
• Weighted residual factors for all reflections included in the refinement: 0.1492
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No