Information card for entry 1508122

Structure parameters

• Formula: C192 H96 Cu24 O144
• Calculated formula: C192 H96 Cu24 O144
• SMILES: [Cu]1234([Cu]567([O]=C(O1)c1cc(O)cc(c1)C1=[O][Cu]89%10([Cu]%11%12(O1)([O]=C(O8)c1cc(O)cc(C8=[O][Cu]%13%14%15([Cu]%16([O]=C(O%13)c%13cc(O)cc(c%13)C%13=[O][Cu]%17%18%19([Cu]%20%21(O%13)([O]=C(O%17)c%13cc(O)cc(C%17=[O][Cu]%22%23%24([Cu]%25([O]=C(O%22)c%22cc(O)cc(c%22)C%22=[O][Cu]%26%27%28([Cu]%29%30(O%22)([O]=C(O%26)c%22cc(O)cc(C%26=[O][Cu]%31%32%33([Cu]%34(O%26)([O]=C(O%31)c%26cc(O)cc(c%26)C(=[O]%18)O%20)(OC(=[O]%32)c%18cc(O)cc(c%18)C%18=[O][Cu]%20%26%31([Cu]%32(O%18)([O]=C(O%20)c%18cc(O)cc(c%18)C%18=[O][Cu]%20%35%36([Cu]([O]=C(O%20)c%20cc(O)cc(C(=[O]2)O5)c%20)(OC(=[O]%35)c2cc(O)cc(C5=[O][Cu]%20%35%37([Cu](O5)([O]=C(O%20)c5cc(O)cc(c5)C(=[O]%27)O%29)(OC(=[O]%35)c5cc(O)cc(c5)C(O4)=[O]7)([O]=C(O%37)c4cc(O)cc(C(=[O]%23)O%25)c4)[OH2])[OH2])c2)([OH2])(O%18)[O]=C(O%36)c2cc(O)cc(C4=[O][Cu]57%18([Cu]([O]=C(O5)c5cc(O)cc(c5)C(=[O]9)O%11)(O4)(OC(=[O]7)c4cc(O)cc(c4)C4=[O][Cu]579([Cu]([O]=C(O5)c5cc(O)cc(c5)C(O%19)=[O]%21)(OC(=[O]7)c5cc(O)cc(c5)C(O%10)=[O]%12)([O]=C(O9)c5cc(O)cc(c5)C(O%33)=[O]%34)(O4)[OH2])[OH2])([O]=C(O%18)c4cc(O)cc(C(=[O]%31)O%32)c4)[OH2])[OH2])c2)[OH2])([O]=C(O%26)c2cc(O)cc(c2)C(O%28)=[O]%30)[OH2])[OH2])[OH2])[OH2])c%22)[OH2])[OH2])(O%17)([O]=C(O%24)c2cc(O)cc(C(=[O]%14)O%16)c2)[OH2])[OH2])c%13)[OH2])[OH2])(O8)([O]=C(O%15)c2cc(O)cc(C(=[O]3)O6)c2)[OH2])[OH2])c1)[OH2])[OH2])[OH2])[OH2]
• Title of publication: Bridging-ligand-substitution strategy for the preparation of metal-organic polyhedra.
• Authors of publication: Li, Jian-Rong; Zhou, Hong-Cai
• Journal of publication: Nature chemistry
• Year of publication: 2010
• Journal volume: 2
• Journal issue: 10
• Pages of publication: 893 - 898
• a: 25.8693 ± 0.001 Å
• b: 25.8693 ± 0.001 Å
• c: 39.125 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 26183 ± 2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• Space group number: 87
• Hermann-Mauguin space group symbol: I 4/m
• Hall space group symbol: -I 4
• Residual factor for all reflections: 0.0645
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1107
• Weighted residual factors for all reflections included in the refinement: 0.1162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No