Information card for entry 7117304

Structure parameters

• Formula: C145 H227 As Cu31 N64 O35
• Calculated formula: C145 H102 As Cu31 N64 O35
• Title of publication: Incarceration of one or two phosphate or arsenate species within nanojars, capped nanojars and nanohelicages: helical chirality from two closely-spaced, head-to-head PO4^3-^ or AsO4^3-^ ions
• Authors of publication: Gellert Mezei
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 10341
• a: 20.4878 ± 0.0003 Å
• b: 22.9195 ± 0.0004 Å
• c: 25.7171 ± 0.0004 Å
• α: 103.64 ± 0.001°
• β: 95.22 ± 0.001°
• γ: 110.663 ± 0.001°
• Cell volume: 10777.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1619
• Residual factor for significantly intense reflections: 0.0822
• Weighted residual factors for significantly intense reflections: 0.177
• Weighted residual factors for all reflections included in the refinement: 0.2196
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No