Information card for entry 1515256

Structure parameters

• Common name: MMPF-4
• Formula: C156 H60 N12 O50 Zn19
• Calculated formula: C156 H60 N12 O50 Zn19
• 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: 43.03 ± 0.002 Å
• b: 43.03 ± 0.002 Å
• c: 43.03 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 79674 ± 6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 206
• Hermann-Mauguin space group symbol: I a -3
• Hall space group symbol: -I 2b 2c 3
• Residual factor for all reflections: 0.1429
• Residual factor for significantly intense reflections: 0.1163
• Weighted residual factors for significantly intense reflections: 0.2742
• Weighted residual factors for all reflections included in the refinement: 0.2905
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.41328 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No