Information card for entry 1515632

Structure parameters

• Formula: C132 H156 Br12 Co8 N72 O18
• Calculated formula: C132 H156 Br12 Co8 N72 O17.92
• Title of publication: Insight into the construction of metal‒organic polyhedra: metal‒organic cubes as a case study
• Authors of publication: Alkordi, Mohamed H.; Belof, Jonathan L.; Rivera, Edwin; Wojtas, Lukasz; Eddaoudi, Mohamed
• Journal of publication: Chemical Science
• Year of publication: 2011
• Journal volume: 2
• Journal issue: 9
• Pages of publication: 1695
• a: 17.758 ± 0.005 Å
• b: 19.38 ± 0.003 Å
• c: 24.772 ± 0.006 Å
• α: 90°
• β: 90.257 ± 0.016°
• γ: 90°
• Cell volume: 8525 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1959
• Residual factor for significantly intense reflections: 0.0826
• Weighted residual factors for significantly intense reflections: 0.1984
• Weighted residual factors for all reflections included in the refinement: 0.2615
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No