Information card for entry 7122081

Structure parameters

• Formula: C34 H28.62 Cl2 K3 N14 O24.31 Y3
• Calculated formula: C33.9996 H27.9984 Cl2 K3 N13.9998 O24 Y3
• Title of publication: Upgrading gasoline to high octane numbers using a zeolite-like metal-organic framework molecular sieve with ana-topology.
• Authors of publication: Mohideen, M Infas H; Belmabkhout, Youssef; Bhatt, Prashant M.; Shkurenko, Aleksander; Chen, Zhijie; Adil, Karim; Eddaoudi, Mohamed
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 68
• Pages of publication: 9414 - 9417
• a: 28.006 ± 0.004 Å
• b: 28.006 ± 0.004 Å
• c: 28.006 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 21966 ± 5 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 230
• Hermann-Mauguin space group symbol: I a -3 d
• Hall space group symbol: -I 4bd 2c 3
• Residual factor for all reflections: 0.0291
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0906
• Weighted residual factors for all reflections included in the refinement: 0.0913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No