Information card for entry 4516269

Structure parameters

• Formula: C50 H86 Br2 N2 O6
• Calculated formula: C50 H86 Br2 N2 O6
• Title of publication: Layered 2D Sheetlike Supramolecular Polymers Formed by O‒H···Anion Hydrogen Bonds
• Authors of publication: White, Nicholas G.; Carta, Veronica; MacLachlan, Mark J.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 3
• Pages of publication: 1540
• a: 20.173 ± 0.006 Å
• b: 17.078 ± 0.005 Å
• c: 15.567 ± 0.004 Å
• α: 90°
• β: 107.768 ± 0.006°
• γ: 90°
• Cell volume: 5107 ± 3 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 5
• 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: 0.0741
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for all reflections: 0.1417
• Weighted residual factors for significantly intense reflections: 0.1215
• Weighted residual factors for all reflections included in the refinement: 0.1417
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9675
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No