Information card for entry 7220235

Structure parameters

• Formula: C60 H72 B2 Co N24 O88 W24
• Calculated formula: C60 H56 B2 Co N24 O88 W24
• SMILES: [B]123[O]45[W]678(O[W]9%10%11(=O)O[W]%12%13%14(=[O][Co]([n]%15cn(c%16cc(cc(c%16)n%16cc[nH+]c%16)n%16c[nH+]cc%16)cc%15)([n]%15ccn(c%16cc(cc(c%16)n%16cc[nH+]c%16)n%16cc[nH+]c%16)c%15)([n]%15ccn(c%16cc(cc(c%16)n%16cc[nH+]c%16)n%16cc[nH+]c%16)c%15)([n]%15ccn(c%16cc(cc(c%16)n%16cc[nH+]c%16)n%16c[nH+]cc%16)c%15)[O]=[W]%15%16%17%18O[W]%19%20%21(=O)O[W]%22%23(=O)(O%15)O[W]%15%24%25(=O)O[W]%26%27%28(=O)O[W]%29%30%31(=O)O[W]%32(=O)(O%22)(O[W]%22(=O)(O%19)(O%29)O[W]%19%29(=O)(O%20)O[W]%20(=O)(O%30)(O%26)O[W]%26(=O)(O%19)(O[W](=O)(O%16)(O%27)(O%24)[O]%25%28[B]([O]%29%20%26)([O]%31%32%22)[O]%18%21%23)O%17)O%15)O[W]%15(=O)(O[W]%16%17%18(=O)O[W]%19%20%21(O[W]%22%23(O[W]%24(=O)(O%15)(O[W](O%10)([O]2%22%24)(=O)(O%23)O7)O%16)(O[W]4(O%19)(=O)(O8)O[W]5(O6)(O[W](=O)(O%12)(O%20)(O%17)[O]1%18%21)(O%13)=O)=O)=O)(O9)[O]3%11%14)=O.O.O.O.O.O.O.O.O
• Title of publication: Assembly of hybrids based on polyoxotungstates and Co-tris(imidazolyl) complexes with bifunctional electrocatalytic activities
• Authors of publication: Zhou, Wanli; Peng, Jun; Zhang, Zheyu; Shi, Zhenyu; Khan, shifa Ullah; Liu, Hong-Sheng
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 12.3 ± 0.005 Å
• b: 13.241 ± 0.005 Å
• c: 18.837 ± 0.005 Å
• α: 98.227 ± 0.005°
• β: 94.896 ± 0.005°
• γ: 93.212 ± 0.005°
• Cell volume: 3018 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0753
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1248
• Weighted residual factors for all reflections included in the refinement: 0.1544
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No