Information card for entry 7131436

Structure parameters

• Formula: C63 H66 B N10 O13
• Calculated formula: C63 H66 B N10 O13
• 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: 14.1697 ± 0.0004 Å
• b: 14.5406 ± 0.0004 Å
• c: 16.0657 ± 0.0005 Å
• α: 110.045 ± 0.003°
• β: 110.898 ± 0.003°
• γ: 96.92 ± 0.002°
• Cell volume: 2791.7 ± 0.18 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0468
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.1006
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No