Information card for entry 7117306

Structure parameters

• Formula: C104 H149 Br1.5 Cu15 N39.5 O19 P2
• Calculated formula: C104 H129 Br1.5 Cu15 N39.5 O19 P2
• 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: 17.1774 ± 0.0002 Å
• b: 24.4 ± 0.0003 Å
• c: 33.549 ± 0.0004 Å
• α: 90°
• β: 103.254 ± 0.001°
• γ: 90°
• Cell volume: 13686.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.1182
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.1617
• Weighted residual factors for all reflections included in the refinement: 0.1895
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No