Information card for entry 7116557

Structure parameters

• Formula: C216 H184 Cu24 N8 O144
• Calculated formula: C216 H128 Cu24 N8 O144
• SMILES: c12cc(cc(c1)O)C1=[O][Cu]345([Cu]67(O1)([O]=C(c1cc(cc(c1)O)C1=[O][Cu]89%10([O]=C%11O[Cu]%12%10(O1)([O]=C(c1cc(cc(c1)O)C1=[O][Cu]%10%13%14([Cu]%15%16(O1)([O]=C(c1cc(cc(c1)O)C1=[O][Cu]%17%18%19([O]=C%20c%21cc(cc(c%21)O)C%21=[O][Cu]%22%23%24([O]=C%25c%26cc(cc(c%26)O)C%26=[O][Cu]%27%28%29([O]=C%30c%31cc(cc(c%31)O)C%31=[O][Cu]%32%33%34([O]=C%35c%36cc(cc(c%36)O)C(O%24)=[O][Cu]%22(O%21)(O%25)([O]=C(c%21cc(cc(c%21)O)C%21=[O][Cu]%22%24%25([O]=C%36c%37cc(cc(c%37)O)C%37=[O][Cu]%38%39%40([Cu]%41(O%37)([O]=C(c%37cc(cc(c%37)O)C%37=[O][Cu]%42%43%44([O]=C2O[Cu]%43([O]=C(c2cc%11cc(c2)O)O%42)([OH2])([O]=C(O%44)c2cc(cc(c2)O)C(O%22)=[O][Cu]%25(O%36)([O]=C(O%24)c2cc(cc(c2)O)C(O%17)=[O][Cu]%19(O%20)([O]=C(O%18)c2cc(cc(c2)O)C(O9)=[O]%12)(O1)[OH2])(O%21)[OH2])O%37)[O]=CN(C)C)O%38)([OH2])[O]=C(c1cc(cc(c1)O)C(O%32)=[O][Cu]%34(O%31)(O%35)([O]=C(c1cc(cc(c1)[O])C1=[O][Cu]29%11([O]=C(c%12cc(cc(c%12)O)C(=[O]4)O6)O[Cu]9([O]=C(c4cc(cc(c4)O)C4=[O][Cu]69%12([O]=C(c%17cc(cc(c%17)O)C(=[O]%13)O%15)O[Cu]9([O]=C(c9cc(cc(c9)O)C(O%28)=[O][Cu]%27(O%26)(O%30)([OH2])[O]=C(c9cc(cc(c9)O)C(O%14)=[O]%16)O%29)O6)(O4)([O]=C(c4cc(cc(c4)O)C(O5)=[O]7)O%12)[OH2])[O]=CN(C)C)O2)(O1)([O]=C(c1cc(cc(c1)[O])C(=[O]%40)O%41)O%11)[OH2])[O]=CN(C)C)O%33)[OH2])O%39)[OH2])[O]=CN(C)C)O%23)[OH2])[O]=CN(C)C)[O]=CN(C)C)[OH2])[O]=CN(C)C)O%10)[OH2])[OH2])O8)[OH2])[O]=CN(C)C)O3)[OH2])[OH2]
• Title of publication: Single crystalline hollow metal-organic frameworks: a metal-organic polyhedron single crystal as a sacrificial template
• Authors of publication: Hyehyun Kim; Minhak Oh; Dongwook Kim; Jeongin Park; Junmo Seong; Sang Kyu Kwak; Myoung Soo Lah
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 3678
• a: 28.096 ± 0.004 Å
• b: 28.096 ± 0.004 Å
• c: 40.947 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 32323 ± 9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 87
• Hermann-Mauguin space group symbol: I 4/m
• Hall space group symbol: -I 4
• Residual factor for all reflections: 0.1456
• Residual factor for significantly intense reflections: 0.1132
• Weighted residual factors for significantly intense reflections: 0.3621
• Weighted residual factors for all reflections included in the refinement: 0.4021
• Goodness-of-fit parameter for all reflections included in the refinement: 1.446
• Diffraction radiation wavelength: 1 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No