Information card for entry 7035220

Structure parameters

• Formula: Ce10 H200 Na18 O404 Te8 W88
• Calculated formula: Ce10 Na2 O354 Te8 W88
• SMILES: [O]1=[W]23(O[W]456(O[W]789(O[W]%10%11%12(O[W]%13%14%15([O]%12[Te]%12[O]%167[W]7%17(=O)(O[W]%18%16(O[W]%16%19%20(O[W]%21%22%23(O[W]%24%25%26(O[W]%27%28%29(O[W]%30%31(O[W]%32%33([O]%34%35[W]%36%37(O[W]%38%39%40(O[W](=O)(O%24)([O]%25%27[Te]%34[O]%24[W]%25(O[W]%35(=[O][Ce]([O]=%38)([O]=%22)([O]=%25)([O]=6)([OH2])[OH2])(O%32)(=O)O%37)(=O)(O%31)O[W]%24(O%21)(O%26)(O%30)=O)(O%36)O%29)=[O][Ce]([O]=4)([O]=[W](O%13)(O[W](O[W](O%10)(O7)(=O)O%15)(O%17)(O%20)=O)([O]%12%16)(O%19)=O)([O]=%14)([O]=%23)([OH2])([OH2])([OH2])[O]=[W]467%10O[W]%12%13%14(=[O][Ce]%15%16%17([O]=[W]%19(O%39)(O%40)(O[W]%20%21(O[W]%22%23%24(O[W]%25%26(O%20)([O]%21%23[Te]([O]4%12)[O]4[W]%12(=O)(O[W]4(O%22)(O[W](O[W]4%20(=[O][Ce]%21%22([O]=[W]%23%27%29(=[O]%16)O[W]%16%30%31(O[W]%32%34(O[W]%35%36(=O)(O4)[O]4[Te]%37[O]%31%32[W]%31(O[W]%32%38%39(O[W]%40(=[O][Ce]%41%42([O]=[W]%43(O[W]%44%45%46(O[W]%47%48%49(O[W]%50%51(O[W]%52%53%54([O]%51[Te]%51[O]%55%47[W]%47%56(=O)(O[W]%57%55(O[W]%55%58%59(O[W]%60%61%62(O[W]%63%64%65(O[W]%66%67%68(O[W]%69%70(O[W]%71%72([O]%73%74[W]%75%76(O[W]%77%78%79(O[W](=O)(O%63)([O]%64%66[Te]%73[O]%63[W]%64(O[W]%74(=[O][Ce]([O]=%77)([O]=%61)([O]=%64)([O]=%46)([OH2])[OH2])(O%71)(=O)O%76)(=O)(O%70)O[W]%63(O%60)(O%65)(O%69)=O)(O%75)O%68)=[O][Ce]([O]=%44)([O]=[W](O%53)(O[W](O[W](=O)(O%50)(O%52)O%47)(O%56)(O%59)=O)([O]%51%55)(O%58)=O)([O]=%54)([O]=%62)([OH2])([O]=[W]%44%46%47%50O[W]%51%52%53(=[O][Ce]%54%55%56([O]=[W]%58(O[W]%59%60(O[W]%61%62%63(O[W]%64%65(O%59)([O]%60%62[Te]([O]%44%51)[O]%44[W]%51(=O)(O[W]%44(O%61)(O[W](O[W]%44%59(=[O][Ce]%60%61([O]=[W]%62%66%68(=[O]%55)O[W]%55%69%70(O[W]%71%73(O[W]%74%75(=O)(O%44)[O]%44[Te]%76[O]%70%71[W]%70(O[W]%71%77%80(O[W]%81(=[O][Ce]1([O]=%11)([OH2])([O]=[W](=O)(O3)(O%62)(=O)O%68)([OH2])([OH2])([OH2])[OH2])(O[W](O[W]%44(O[W](=O)(O%71)(O%70)O%75)(=[O]%61)(O%74)=O)(=[O]%60)([O]%76%77%81)(O%80)=O)(O%69)O%66)=O)(O%55)(=O)O%73)(O%59)=O)=O)([OH2])([O]=%58)[OH2])(=[O]%54)O%65)(O%64)(=O)O%51)(=O)O[W](O%52)(O%63)(O%46)=O)(=[O]%56)O%53)=O)=O)(O%50)=O)(O%78)(O%79)O%47)([OH2])([OH2])[OH2])=O)([OH2])[OH2])(O%72)=O)(=O)O%67)=O)=O)=O)O%57)=O)(O%49)=O)O%48)=O)(=[O]%42)O%45)=O)O%43)(O[W](=[O]%41)(=O)(O%23)(=O)O%29)(=O)=O)([OH2])([OH2])([OH2])([OH2])[OH2])(O[W](O[W]4(O[W](=O)(O%32)(O%31)O%36)(=[O]%22)(O%35)=O)(=[O]%21)([O]%37%38%40)(O%39)=O)(O%30)O%27)=O)(O%16)(=O)O%34)(O%20)=O)=O)([OH2])([O]=%19)[OH2])(=[O]%15)O%26)(O%25)(=O)O%12)(=O)O[W](O%13)(O%24)(O6)=O)(=[O]%17)O%14)=O)=O)(O%10)=O)O7)([OH2])([OH2])[OH2])=O)(O%33)=O)(=O)O%28)=O)=O)=O)O%18)=O)(O9)=O)O8)=O)O5)=O)O2)(=O)=O.[Na+].O.O.O.O.O.[Na+].O.O.O.O.O
• Title of publication: Assembly of a large cerium(iii)-containing tungstotellurites(iv) nanocluster: [Ce10Te8W88O298(OH)12(H2O)40](18.).
• Authors of publication: Chen, Wei-Chao; Qin, Chao; Wang, Xin-Long; Li, Yang-Guang; Zang, Hong-Ying; Shao, Kui-Zhan; Su, Zhong-Min; Wang, En-Bo
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 25
• Pages of publication: 11290 - 11293
• a: 20.6145 ± 0.0012 Å
• b: 25.4599 ± 0.0015 Å
• c: 30.7077 ± 0.0018 Å
• α: 84.672 ± 0.001°
• β: 77.411 ± 0.001°
• γ: 81.87 ± 0.001°
• Cell volume: 15539 ± 1.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1346
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.1422
• Weighted residual factors for all reflections included in the refinement: 0.1525
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No