Information card for entry 4338293

Structure parameters

• Formula: Co16 H168 Na32 O242 P4 Si4 W36
• Calculated formula: Co16 Na12 O200.75 P4 Si4 W36
• SMILES: [W]1234(=[O][Co]5678[O]=[W]9%10(=O)(O1)O[W]1%11%12(=[O][Co]%13%14%15%16[O]=[W]%17%18(=O)(O1)[O]%12%16[Si]1([O]%12%16[W]%19%20(=O)(O3)O[W]3%21(=O)(=[O][Co]%22%23%24([O]=[W](=O)([O]13%22)(O%17)(O%21)O[W]%12(=O)(O%18)(O%19)O[W]%16(=O)(O9)(O%11)O%20)[O]%13[Co]13([O]9%11P%12(O5)=[O][Co]5%13%16%17[O]=[W]%18%19%20(=O)O[W]%21%22(=O)(=[O]5)O[W]5%25%26(=[O][Co]%27%28%29%30[O]=[W]%31%32(=O)(O5)[O]%26%30[Si]5([O]%26%30[W]%33%34(=O)(O%19)O[W]%19%35(=O)(=[O][Co]%36%37%38([O]=P%39(O[Co]%40%41%42%43[O]=[W]%44%45%46(=O)O[W]%47%48%49([O]%50%51[Si]%52%53[O]%54%55[W]%56%57%58(O[W](=[O]%40)(=O)(O%44)([O]%42%45%52)O[W]%51(O%48)(=O)(O[W]%40%50(O[W]%42%54(=[O][Co]%44%45%55([O]%48[Co]%50%51%52([O]1%39[Co]9([O]%27%37)([O]%16%38)([O]%17%29)[O]1%51P(=[O][Co]9%16%17%27[O]=[W]%29%37%38(=O)[O]%39%16[W]%16(=O)(=[O]9)(O[W]9%51%54(=[O][Co]%55%59%60(O%12)[O]=[W]%12%61(=O)(O9)O[W]9%62%63(=[O][Co]%64%65%66([O]=[W]%67(=O)(O9)([O]%63%66[Si]%39([O]9%39[W]%63(=O)(O%51)(O%16)O[W]9(=O)(O%67)(O%38)O[W]%39(=O)(O%12)(O%62)O%63)[O]%54%55%61)O%29)[O]%17[Co]%111([O]%27%59)([O]%60%65)[O]3%52P(=[O]%24)(O%44)O%64)=O)=O)O%37)(O[Co]13%48([O]%41%50)[O]9%53[W](=[O]1)(=O)(O%40)(O[W]9(O%47)(=[O]3)(=O)O%46)O%42)O%28)[O]%43%45)[O]=%56)(=O)O%58)(=O)O%49)O%57)=O)=O)O%14)[O]=[W](=O)([O]5%19%36)(O%31)(O%35)O[W]%26(=O)(O%32)(O%33)O[W]%30(=O)(O%21)(O%25)O%34)O%18)[O]%13%20%22)=O)([O]7%23)[O]8%15)O2)[O]46%10)=O)=O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Multinuclear Cobalt(II)-Containing Heteropolytungstates: Structure, Magnetism, and Electrochemistry.
• Authors of publication: Ibrahim, Masooma; Haider, Ali; Lan, Yanhua; Bassil, Bassem S.; Carey, Akina M.; Liu, Rongji; Zhang, Guangjin; Keita, Bineta; Li, Wenhui; Kostakis, George E.; Powell, Annie K.; Kortz, Ulrich
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 10
• Pages of publication: 5179 - 5188
• a: 24.851 ± 0.0006 Å
• b: 24.851 ± 0.0006 Å
• c: 60.8811 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 32561.2 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1225
• Residual factor for significantly intense reflections: 0.0934
• Weighted residual factors for significantly intense reflections: 0.2554
• Weighted residual factors for all reflections included in the refinement: 0.286
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No