Information card for entry 7131431

Structure parameters

• Formula: C144 H168 B2 N18 O16
• Calculated formula: C144 H168 B2 N18 O16
• Title of publication: Charge "mis-matched" hydrogen bonded frameworks for cation exchange and dye sorption.
• Authors of publication: Muang-Non, Phonlakrit; Markwell-Heys, Adrian W; Doonan, Christian J.; White, Nicholas G.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 27
• Pages of publication: 4059 - 4062
• a: 28.0407 ± 0.0007 Å
• b: 39.4728 ± 0.0015 Å
• c: 18.8173 ± 0.0012 Å
• α: 90°
• β: 103.209 ± 0.004°
• γ: 90°
• Cell volume: 20276.8 ± 1.6 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150.01 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.1611
• Residual factor for significantly intense reflections: 0.1052
• Weighted residual factors for significantly intense reflections: 0.3097
• Weighted residual factors for all reflections included in the refinement: 0.3633
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No