Information card for entry 4133228

Structure parameters

• Formula: C8 Co12 Fe4 Na19 O232 P4 Si4 W36
• Calculated formula: C8 Co12 Fe4 Na19 O234 P4 Si4 W36
• SMILES: [W]1234(O[W]567([O]1[Si]18[O]9%10[W]%11%12(O3)(O[W]3%13([O]1[Co]1%14%15([O]%16[Co]%17%18%10([O]%10[Fe]%19%20%16[O]%16%21[Fe]%22%23%24%25[O]%26[Co]%27%28%29%30[O]%31%32[W]%33%34(O[W]%35%36%37([O]%38%39[W]%40%41(O%37)(O[W]%31(O%34)(=[O]%29)(O[W]%29%31([O]%34%37[Si]%32%38[O]%32[W]%38(O[W]%42%43(O[W]%39(O%36)(O[W]%34(O%43)(=[O][Co]%34%26%37([O]%24[Co]%32([O]=%38)([O]%22%27)([O]=P%16(O%18)O[Co]%16%18%22%24[O]%26%27[W]%32%36(O[W]%37%38%39(O[W]%43%44%45([O]%37[Si]%37%27[O]%27[W]%46(O%39)(O%32)(O[W]%32%39(O[W](O%38)(O%44)(O[W]%38%44([O]%47%37[W](O[W]%26(O%43)(O%36)(=[O]%24)=O)(O%45)(O%38)(=[O][Co]%24%26%47([O]%18[Fe]%18%36%37%21[O]%21[Fe]%38%43%45[O]%47[Co]%48%49%50([O]%51%52[W]%53%54(O[W]%55%56%57([O]%58[Si]%59%52[O]%52[W]%60(O[W]%61%62(O[W]%63%58(O%56)(O[W]%56%58([O]%64%59[W]%59(O[W]%51(O[W](O%57)(=O)(O%63)O%59)(O%54)(=[O]%50)=O)(O%58)(=[O][Co]%47%64([O]%45[Co]%52([O]=%60)([O]%38%48)([O]=P%21(O[Co]%21%38%10([O]%108[W]8(O[W](O2)(O6)(O[W](O3)(O8)(=[O]%15)=O)=O)(O[W]%10(O[W]9(O5)(O%11)(=[O]%17)=O)(O7)(=[O]%38)=O)(=[O]%21)=O)[O]%14%20)O%26)[O]=%61)([O]=%56)[O]=P([O]%25%36%43)(O[Co]%27([O]%16%18)([O]=%46)([O]%24%37)[O]=%39)O%34)=O)(O%62)=O)=O)=O)(O%55)(=O)O%53)=O)(=[O]%49)=O)[O]=P([O]%19%23)(O1)O%30)[O]=%44)=O)(O%32)=O)=O)=O)=O)=O)=O)(=[O]%22)=O)[O]=%42)[O]=%31)(O%29)=O)(O%40)=O)=O)(O%35)(=O)O%33)(O%41)=O)=O)=O)=O)(=[O]%28)=O)[O]=%12)[O]=%13)(O4)=O)=O)=O)=O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O.[O-]C(=O)C.O.O.O.O.O.O.O.O.O.O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].O.O.O.O.O.O.[O-]C(=O)C.O.O.O.O.O.O.O.O.[Na+].[Na+].[Na+].[Na+].O.O.O.O.O.O.O.O.O.[O-]C(=O)C.O.O.O.O.O.O.[Na+].[Na+].O.O.O.O.O.[O-]C(=O)C.O.O.O.O.O.O
• Title of publication: Ultrasmall Abundant Metal-Based Clusters as Oxygen-Evolving Catalysts.
• Authors of publication: Han, Xin-Bao; Tang, Xing-Yan; Lin, Yue; Gracia-Espino, Eduardo; Liu, San-Gui; Liang, Hai-Wei; Hu, Guang-Zhi; Zhao, Xin-Jing; Liao, Hong-Gang; Tan, Yuan-Zhi; Wagberg, Thomas; Xie, Su-Yuan; Zheng, Lan-Sun
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 1
• Pages of publication: 232 - 239
• a: 23.4377 ± 0.0004 Å
• b: 25.9959 ± 0.0005 Å
• c: 18.9014 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11516.3 ± 0.4 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 8
• Space group number: 59
• Hermann-Mauguin space group symbol: P m m n :2
• Hall space group symbol: -P 2ab 2a
• Residual factor for all reflections: 0.0915
• Residual factor for significantly intense reflections: 0.0821
• Weighted residual factors for significantly intense reflections: 0.2188
• Weighted residual factors for all reflections included in the refinement: 0.2347
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No