Information card for entry 7035553

Structure parameters

• Common name: [Cu10]
• Formula: C74 H60 Cl4 Cu10 N12 O38
• Calculated formula: C74 H60 Cl4 Cu10 N12 O38
• 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: 23.6341 ± 0.001 Å
• b: 25.5162 ± 0.0008 Å
• c: 16.5739 ± 0.0009 Å
• α: 90°
• β: 104.244 ± 0.005°
• γ: 90°
• Cell volume: 9687.7 ± 0.8 ų
• Cell temperature: 154 ± 0.8 K
• Ambient diffraction temperature: 154 ± 0.8 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1098
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.1501
• Weighted residual factors for all reflections included in the refinement: 0.1766
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No