Information card for entry 1515640

Structure parameters

• Formula: C135 H175 Co8 N73 O56 S6
• Calculated formula: C135 H175 Co8 N73 O55.76 S6
• 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: 20.3067 ± 0.0009 Å
• b: 18.7195 ± 0.0008 Å
• c: 24.9104 ± 0.001 Å
• α: 90°
• β: 93.182 ± 0.001°
• γ: 90°
• Cell volume: 9454.6 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1367
• Residual factor for significantly intense reflections: 0.0737
• Weighted residual factors for significantly intense reflections: 0.1794
• Weighted residual factors for all reflections included in the refinement: 0.2098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No