Information card for entry 4326297

Structure parameters

• Formula: C84 H54 Cu3 N6 O15
• Calculated formula: C84 H48 Cu3 N6 O15
• Title of publication: Isoreticular Expansion of Metal-Organic Frameworks with Triangular and Square Building Units and the Lowest Calculated Density for Porous Crystals
• Authors of publication: Hiroyasu Furukawa; Yong Bok Go; Nakeun Ko; Young Kwan Park; Fernando J. Uribe-Romo; Jaheon Kim; Michael O'Keeffe; Omar M. Yaghi
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 9147 - 9152
• a: 39.707 ± 0.003 Å
• b: 39.707 ± 0.003 Å
• c: 38.342 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 60452 ± 10 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 137
• Hermann-Mauguin space group symbol: P 42/n m c :2
• Hall space group symbol: -P 4ac 2a
• Residual factor for all reflections: 0.182
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1193
• Weighted residual factors for all reflections included in the refinement: 0.1556
• Goodness-of-fit parameter for all reflections included in the refinement: 0.875
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No