Information card for entry 1515636

Structure parameters

• Formula: C132 H168 Cl12 Co8 N72 O40
• Calculated formula: C132 H168 Cl12 Co8 N72 O39.96
• 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: 33.008 ± 0.008 Å
• b: 19.253 ± 0.005 Å
• c: 32.654 ± 0.007 Å
• α: 90°
• β: 116.116 ± 0.005°
• γ: 90°
• Cell volume: 18633 ± 8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.1305
• Residual factor for significantly intense reflections: 0.0714
• Weighted residual factors for significantly intense reflections: 0.1662
• Weighted residual factors for all reflections included in the refinement: 0.1988
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No