Information card for entry 1515635

Structure parameters

• Formula: C138 H178 B12 Co8 F48 N74 O16.75
• Calculated formula: C138 H178 B12 Co8 F48 N74 O16.86
• 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: 31.693 ± 0.006 Å
• b: 20.047 ± 0.004 Å
• c: 32.309 ± 0.007 Å
• α: 90°
• β: 109.5 ± 0.03°
• γ: 90°
• Cell volume: 19350 ± 8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1715
• Residual factor for significantly intense reflections: 0.0789
• Weighted residual factors for significantly intense reflections: 0.1871
• Weighted residual factors for all reflections included in the refinement: 0.2358
• Goodness-of-fit parameter for all reflections included in the refinement: 0.942
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No