Information card for entry 7240377

Structure parameters

• Formula: C96 H114 Mo20 Na23 O210.5 P8
• Calculated formula: C96 H114 Mo20 Na23 O210.5 P8
• Title of publication: Intrinsically porous molecular building blocks for metal organic frameworks tailored by the bridging effect of counter cations
• Authors of publication: Yang, Peng; Alshankiti, Buthainah; Khashab, Niveen M.
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 44.727 ± 0.003 Å
• b: 17.6015 ± 0.001 Å
• c: 32.7474 ± 0.0018 Å
• α: 90°
• β: 92.424 ± 0.002°
• γ: 90°
• Cell volume: 25758 ± 3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 119.95 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.053
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1406
• Weighted residual factors for all reflections included in the refinement: 0.1412
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No