Information card for entry 1515257

Structure parameters

• Common name: MMPF-5
• Formula: C156 H60 Cd11 N12 O51
• Calculated formula: C156 H60 Cd11 N12 O51
• Title of publication: Vertex-directed self-assembly of a high symmetry supermolecular building block using a custom-designed porphyrin
• Authors of publication: Wang, Xi-Sen; Chrzanowski, Matthew; Gao, Wen-Yang; Wojtas, Lukasz; Chen, Yu-Sheng; Zaworotko, Michael J.; Ma, Shengqian
• Journal of publication: Chemical Science
• Year of publication: 2012
• Journal volume: 3
• Journal issue: 9
• Pages of publication: 2823
• a: 22.521 ± 0.015 Å
• b: 22.521 ± 0.015 Å
• c: 22.521 ± 0.015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11423 ± 13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 221
• Hermann-Mauguin space group symbol: P m -3 m
• Hall space group symbol: -P 4 2 3
• Residual factor for all reflections: 0.1067
• Residual factor for significantly intense reflections: 0.0816
• Weighted residual factors for significantly intense reflections: 0.2268
• Weighted residual factors for all reflections included in the refinement: 0.2483
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No