Information card for entry 1552054

Structure parameters

• Formula: C162 H90 O47 Y9
• Calculated formula: C162 H90 O47 Y9
• Title of publication: Discovery and introduction of a (3,18)-connected net as an ideal blueprint for the design of metal-organic frameworks
• Authors of publication: Vincent Guillerm; Lukasz J. Weselinski; Youssef Belmabkhout; Amy J. Cairns; Valerio D Elia; Lukasz Wojtas; Karim Adil; Mohamed Eddaoudi
• Journal of publication: Nature Chemistry
• Year of publication: 2014
• Journal volume: 6
• Pages of publication: 673 - 680
• a: 22.2055 ± 0.0011 Å
• b: 22.2055 ± 0.0011 Å
• c: 33.1729 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 14165.6 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 194
• Hermann-Mauguin space group symbol: P 63/m m c
• Hall space group symbol: -P 6c 2c
• Residual factor for all reflections: 0.1102
• Residual factor for significantly intense reflections: 0.0735
• Weighted residual factors for significantly intense reflections: 0.1998
• Weighted residual factors for all reflections included in the refinement: 0.2153
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No