Information card for entry 7131434

Structure parameters

• Formula: C112 H140 B2 Ca N16 O38
• Calculated formula: C112 H140 B2 Ca N16 O38
• 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: 19.5879 ± 0.0012 Å
• b: 19.5879 ± 0.0012 Å
• c: 15.0908 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5790.1 ± 0.7 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 85
• Hermann-Mauguin space group symbol: P 4/n :2
• Hall space group symbol: -P 4a
• Residual factor for all reflections: 0.263
• Residual factor for significantly intense reflections: 0.1038
• Weighted residual factors for significantly intense reflections: 0.2393
• Weighted residual factors for all reflections included in the refinement: 0.3546
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No