Information card for entry 7223997

Structure parameters

• Formula: C26 H61 Co20 N35 O34 S25
• Calculated formula: C24 H25 Co20 N35 O29 S25
• SMILES: [Co]12345[n]6[n]7[Co]89%10%11[O]2[Co]2%12%13%14[n]%15[n]([Co]%16%17%18%19[n]%20[n]%21[Co]%22%23%24([O]%25%26[Co]%27%28%29%30[n]%31[n]%32[Co]%33%34%35%36[n]%37[n]%38[Co]%39%40%41([O]%42%43[Co]%44%45([n]%46[n]([Co]%47([O]%44[Co]%44%48%42([O]%39%47)[O]%39[Co]%42%47%49%50[n]%51[n]%52[Co]%53%54%55%39([Co]([n]%39[n]%53c(N)sc%39S%10)([O]12=S%26%43=[O]1%42[Co]2%10([n]%26[n]([Co]%39%42([O]2[Co]2%431([n]1[n]([Co]%53%56([n]%57[n]%58[Co]%59%25([O]5%53)([O]%43%56)[O]%24[Co]([O]%23%27)([O]%30%59)(Sc%58sc%57N)(Sc%31sc%32N)Sc%21sc%20N)([O]42)Sc6sc7N)c(N)sc1S%42)[O]%49%39)([O]%47%10)Sc%51sc%52N)c(N)sc%26S%36)([O]%34%41)[O]%29%35)([O]38)([O]9%12)([O]%50%54)[O]%44%55)[n]1nc(N)sc1S%48)([O]%40%45)([OH2])Sc%38sc%37)c(N)sc%46S%19)([O]%14%17)[O]%18%22)[O]%28%33)[O]%13%16)c(N)sc%15S%11
• Title of publication: The photocatalysis from a series of polyoxoazocobaltate high-nuclearity nanoclusters
• Authors of publication: Mu, Bao; Wang, Qing; Huang, Rudan
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 14.5685 ± 0.0013 Å
• b: 17.495 ± 0.0019 Å
• c: 25.288 ± 0.002 Å
• α: 89.739 ± 0.002°
• β: 79.136 ± 0.001°
• γ: 66.413 ± 0.001°
• Cell volume: 5782.9 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1895
• Residual factor for significantly intense reflections: 0.1009
• Weighted residual factors for significantly intense reflections: 0.2145
• Weighted residual factors for all reflections included in the refinement: 0.2403
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No