Information card for entry 7035558

Structure parameters

• Formula: C125.5 H125 Cu14 N20 O64
• Calculated formula: C125.5 H125 Cu14 N20 O64
• Title of publication: Molecular Pac-Man and Tacos: layered Cu(ii) cages from ligands with high binding site concentrations.
• Authors of publication: McDonald, Cecelia; Williams, David W.; Comar, Priyanka; Coles, Simon J.; Keene, Tony D.; Pitak, Mateusz B.; Brechin, Euan K.; Jones, Leigh F.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 29
• Pages of publication: 13359 - 13368
• a: 15.4185 ± 0.0006 Å
• b: 22.8429 ± 0.0007 Å
• c: 25.1092 ± 0.0009 Å
• α: 71.435 ± 0.003°
• β: 77.204 ± 0.003°
• γ: 80.405 ± 0.003°
• Cell volume: 8130.8 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 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: 0.1771
• Residual factor for significantly intense reflections: 0.0861
• Weighted residual factors for significantly intense reflections: 0.2038
• Weighted residual factors for all reflections included in the refinement: 0.2446
• Goodness-of-fit parameter for all reflections included in the refinement: 0.937
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No