Information card for entry 7117305

Structure parameters

• Formula: C117 H196 Cu30 N61 O42 P
• Calculated formula: C117 H115 Cu30 N61 O42 P
• 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: 19.9142 ± 0.0003 Å
• b: 28.2823 ± 0.0004 Å
• c: 33.9811 ± 0.0005 Å
• α: 90°
• β: 106.132 ± 0.001°
• γ: 90°
• Cell volume: 18385.2 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.182
• Residual factor for significantly intense reflections: 0.0844
• Weighted residual factors for significantly intense reflections: 0.1837
• Weighted residual factors for all reflections included in the refinement: 0.2333
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No