Information card for entry 7240378

Structure parameters

• Formula: C96 H110 K20 Mo20 Na1.5 O193 P8
• Calculated formula: C96 H110 K20 Mo20 Na1.5 O193 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: 36.048 ± 0.002 Å
• b: 16.1202 ± 0.0009 Å
• c: 47.517 ± 0.003 Å
• α: 90°
• β: 111.956 ± 0.004°
• γ: 90°
• Cell volume: 25609 ± 3 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130.15 K
• Number of distinct elements: 7
• Space group number: 5
• Hermann-Mauguin space group symbol: I 1 2 1
• Hall space group symbol: I 2y
• Residual factor for all reflections: 0.0454
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1223
• Weighted residual factors for all reflections included in the refinement: 0.1226
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No