Information card for entry 7223995

Structure parameters

• Formula: C50 H49 B Cu F4 N9 O14
• Calculated formula: C50 H49 B Cu F4 N9 O14
• Title of publication: Metal-templated synthesis of intertwined, functionalized strands as precursors to molecularly woven materials
• Authors of publication: Wadhwa, Natasha R.; Hughes, Neil C.; Hachem, Jaafar A.; Mezei, Gellert
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 14.5499 ± 0.0002 Å
• b: 18.864 ± 0.0002 Å
• c: 19.3788 ± 0.0002 Å
• α: 90°
• β: 105.378 ± 0.001°
• γ: 90°
• Cell volume: 5128.46 ± 0.11 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0524
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0779
• Weighted residual factors for all reflections included in the refinement: 0.0857
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No