Information card for entry 7107618

Structure parameters

• Formula: C204 H202 Co16 N76 O39
• Calculated formula: C208 H158 Co16 N78 O14
• SMILES: c1cccc2c3n4[n]5c(c6cccc(c6)c6n7[n]8c(n6)c6cccc(c6)c6n9[n]%10c(c%11cccc[n]%11[Co]%11%12%13%10[O]([Co]%10%14[O](C)[Co]%15%16[O]([Co]%17%18%19([n]%20ccccc%20c%20n%17[n]%17c(c%21cccc(c%21)c%21n%22[n]%23c(n%21)c%21cccc(c%21)c%21n%24[n]%25c(c%26cccc[n]%26[Co]%26%27%28%25[O]([Co]%25%29[O](C)[Co]%30%31[O]([Co]%324([n]12)([n]1c2c4cccc(c4)c4n%30[n]%25c(c%25cccc(c%25)c%25n%26[n]%26c(c%30cccc[n]%30[Co]%30%33%24%26[O](C)[Co]%24%23[O](C)[Co]%23%22[O](C)[Co]%22%26%17([n]%17ccccc%17c%17n%22[n]%18c(c%18cccc(c%18)c%18n%15[n]%10c(c%10cccc(c%10)c%10n%11[n]%11c(c%15cccc[n]%15[Co]%15%229%11[O]([Co]98[O](C)[Co]87[O](C)[Co]7%115([n]5ccccc5c5n7[n]8c(c7cccc(c7)c7n9[n]%15c(n7)c7cccc[n]%227)n5)[n]5ccccc5c(n1%11)n2)C)n%10)n%18)n%17)[n]1ccccc1c1n%26[n]%23c(c2cccc(c2)c2n%24[n]%30c(c5cccc[n]%335)n2)n1)n%25)n4)[n]1c(c2cccc[n]%322)nc(c2cccc(c4[n]%29n%28c(c5cccc[n]%275)n4)c2)n%311)C)C)n%21)n%20)[n]1c(c2cccc[n]%192)nc(c2cccc(c4[n]%14n%13c(c5cccc[n]%125)n4)c2)n%161)C)C)n6)n3.N#CC.O.N#CC.O
• Title of publication: A novel nanosized {Co16} metallamacrocycle incorporating four linear {Co4} subunits bridged by polytriazolate ligands
• Authors of publication: Wei-Quan Lin; Ji-Dong Leng; Ming-Liang Tong
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Journal issue: 37
• Pages of publication: 4477 - 4479
• a: 38.769 ± 0.005 Å
• b: 25.3 ± 0.003 Å
• c: 29.931 ± 0.004 Å
• α: 90°
• β: 94.949 ± 0.002°
• γ: 90°
• Cell volume: 29249 ± 6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.1445
• Residual factor for significantly intense reflections: 0.0706
• Weighted residual factors for significantly intense reflections: 0.1674
• Weighted residual factors for all reflections included in the refinement: 0.1882
• Goodness-of-fit parameter for all reflections included in the refinement: 0.774
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No