Information card for entry 7131429

Structure parameters

• Formula: C73 H84 B N9 O8
• Calculated formula: C73 H84 B N9 O8
• 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: 14.476 ± 0.003 Å
• b: 39.955 ± 0.008 Å
• c: 16.91 ± 0.003 Å
• α: 90°
• β: 98.23 ± 0.03°
• γ: 90°
• Cell volume: 9680 ± 3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.1602
• Residual factor for significantly intense reflections: 0.1378
• Weighted residual factors for all reflections: 0.2868
• Weighted residual factors for significantly intense reflections: 0.2826
• Weighted residual factors for all reflections included in the refinement: 0.2867
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9102
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No