Information card for entry 7121029

Structure parameters

• Formula: C14 H30 Bi2 Co4 N4 Na8 O98 W18
• Calculated formula: C14 H28 Bi2 Co4 N4 Na8 O98 W18
• SMILES: [W]1234(O[W]567(O[W]89%10(O[W]%11%12%13(O[W]%14%15%16(O[W]%17%18(=[O][Co]%19%20([O]=[W]%21([O]%11%14[Bi]%11[O]3%18[W](O[W](O8)(O%12)([O]69%11)(O7)=O)(O%17)(O%15)(O4)=O)(=[O][Co]3([OH2])([O]=%10)([OH2])[O]=[W]467(O[W]89%10(O[W]%11%12%14([O]8([W](=[O]%19)(=[O]3)(O%10)(O%14)=[O][Co]([O]=1)([O]=5)([OH2])([OH2])[OH2])[Bi]1[O]37[W]57(O[W]8%10(O[W]%14(O%11)(O[W](O[W]3(O6)(O9)(O7)=O)(O%12)([O]18%14)(O%10)=O)(=[O]%20)=O)(=[O][Co]([O]=%21)([O]=5)([OH2])([OH2])[OH2])=O)(O4)=O)=O)=O)=O)(O%16)O%13)([OH2])[OH2])(O2)=O)=O)=O)=O)=O)=O.[Na+].O.[Na+].[Na+].O.O.O.O.O.[Na+].O.O.O.O.O.c1c(N(C)C)ccnc1.[Na+].O.[Na+].[Na+].O.O.O.O.O.[Na+].O.O.O.O.O.c1c(N(C)C)ccnc1
• Title of publication: Efficient visible light-driven water oxidation catalysts based on B-β-{BiW₈O₃₀} and unique 14-nuclear hetero-metal sandwich unit.
• Authors of publication: Gong, Lige; Yu, Li; Yu, Kai; Ding, Yong; Lv, Jinhua; Wang, Chunmei; Su, Zhanhua; Zhou, Baibin
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 6
• Pages of publication: 674 - 677
• a: 43.399 ± 0.017 Å
• b: 18.242 ± 0.007 Å
• c: 17.078 ± 0.007 Å
• α: 90°
• β: 103.322 ± 0.005°
• γ: 90°
• Cell volume: 13157 ± 9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• 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: 0.1285
• Residual factor for significantly intense reflections: 0.0697
• Weighted residual factors for significantly intense reflections: 0.1585
• Weighted residual factors for all reflections included in the refinement: 0.1865
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No