Information card for entry 7035554

Structure parameters

• Common name: [Cu14]
• Formula: C123 H101.17 Br8 Cu14 N16 O42.58
• Calculated formula: C123 H100 Br8 Cu14 N16 O42.6
• 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: 47.208 ± 0.003 Å
• b: 16.6283 ± 0.0012 Å
• c: 21.3697 ± 0.0015 Å
• α: 90°
• β: 94.285 ± 0.001°
• γ: 90°
• Cell volume: 16728 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 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: 0.0868
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1403
• Weighted residual factors for all reflections included in the refinement: 0.1503
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No