Information card for entry 1552055

Structure parameters

• Formula: C72 H35 Cu3 N O15
• Calculated formula: C72.5 H35 Cu3 N O15
• 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: 37.1384 ± 0.0013 Å
• b: 37.1384 ± 0.0013 Å
• c: 74.478 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 88962 ± 6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0969
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.1697
• Weighted residual factors for all reflections included in the refinement: 0.1846
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No