Information card for entry 7115856

Structure parameters

• Formula: C8 H136 Fe6 N4 Na14 O184 Se6 W34
• Calculated formula: C8 Fe6 N4 Na O144 Se6 W34
• SMILES: [W]1234(=[O][Fe]5678[O]=[W]9%10%11%12=[O][Fe]%13%14%15%16[O]=[W]%17%18%19(=[O]5)=[O][Fe]5([OH2])([OH]8)([O]=[W]8(=O)(O[W]%20%21%22(=[O]6)O[W]6%23%24(O[W]%25%26%27([O]%28%23[W]%23(O6)(O[W]6%29%30(O[W]([O]6=[Se]%28[O]6[W]%28(O[W]6(O%30)(O[W]6%30%31(O[W]%32(O%29)(O[W]%29%33(O[W]%34(O[W]%35([O]%29%34[Se]([O]2%32)=[O]6[W](O%10)(O%28)(O%35)(O%31)O)(O%33)(O%11)O)(=[O]7)(O3)O)(O)O%30)(O)O4)O)(O%23)=O)(=[O][Fe]2([O]=%22)([O]=[W]34(=[O][Fe]6([O]=%21)([O]=%17)([O]=[W]7%10%11(O[W]%17%21(O[W]%22%23%28([O]%17=[Se]%17[O]%29%30[W]%31(O[W]%32%30(O[W]%29(O%31)(O%23)(=O)O[W]%23%29(O%28)([O]%17[W](O%23)(=[O]%15)(O[W]%15%17([O]%23=[Se]%28[O]%30%31[W]%33%34(O[W]%30(O[W]%31(O%33)(O4)(O%15)=O)(O6)(O%10)=O)(O[W](O%22)([O]7%28)(=O)(O[W]%23(O%29)(O%34)(=O)O%17)O%11)=O)(O3)=O)(O%32)=O)=O)(=[O]%14)=O)(O%18)(O%21)=O)=O)(O%19)=O)=O)[O]=8)(=[O]%13)O[W]4(=O)(=[O]2)(=[O][Fe]([OH2])([OH]%16)([O]=%12)([OH2])O[Se](=O)O4)=O)([O]=9)[O]=%26)(O%27)=O)(O%20)(O1)(O%24)=O)=O)(=O)O%25)=O)=O)(=O)O[Se](=O)O5)[OH2])=O.[NH2+](C)C.[NH2+](C)C.[NH2+](C)C.[NH2+](C)C.[Na+].O.O.O.O
• Title of publication: Assembly of Fe-substituted Dawson-type nanoscale selenotungstate clusters with photocatalytic H2 evolution activity
• Authors of publication: Wei-Chao Chen; Chao Qin; Xin-Long Wang; Yang-Guang Li; Hong-Ying Zang; Yan-Qing Jiao; Peng Huang; Kui-Zhan Shao; Zhong-Min Su; En-Bo Wang
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 13265
• a: 34.907 ± 0.004 Å
• b: 19.0714 ± 0.0016 Å
• c: 17.8116 ± 0.0015 Å
• α: 90°
• β: 118.867 ± 0.002°
• γ: 90°
• Cell volume: 10384.2 ± 1.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.1047
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.167
• Weighted residual factors for all reflections included in the refinement: 0.1802
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No