Information card for entry 4340932

Structure parameters

• Formula: C16 H146 Ce4 N8 Na16 O191 W44
• Calculated formula: C16 H64 Ce4 N8 Na2 O180 W44
• SMILES: C[NH2+]C.C[NH2+]C.O1[W]234([O]5[W]67(O[W]89%10(O[W]%11%12%13([O]8[W]8(O9)(O[W]9%14%15%16[O]%17[W]%18(O[W]1([O]9%18)(O[W]19(O[W](O[W]5(O%12)(O7)([O]4)=O)(O%11)(O1)(=O)=[O][Ce]1([O]=%16)([O]=9)([O]4[W]579(O[W]%11%12%16(O[W]%18%19%20([O]%21[W]%22%23(O[W]%24%25%26(=[O][Ce]%27%28([O]%29[W]%30%31%32(O[W]%33%34%35(O[W]%36%37%38([O]%39[W]%40%41(O[W]%42%43%44(=[O][Ce]%45%46([O]%47[W]%48%49%50(O[W]%51%52%53(O[W]%54%55%56([O]%57[W]%58%59(O[W]%60%61%62(=[O][Ce]%63%17([OH2])([O]=%15)([OH2])([O]=[W](O%52)(=O)(O%60)(O%62)O%55)([O]=[W]%15%17([O]%52[W](O[W]%52(O%61)(O%58)(O%17)=O)(=O)(O%15)(O[W]%57(O%49)(=O)(O%56)O%59)O%50)(=O)O[W]%47([O]%48%51)(O%53)(=[O]%45)=[O]%63)=O)=O)(=O)O%54)=O)=O)=O)([OH2])([OH2])([O]=[W]%15%17([O]%45[W](O[W]%45(O%43)(O%40)(O%17)=O)(=O)(O%15)(O[W]%39(O%31)(=O)(O%38)O%41)O%32)(=O)O[W]%29([O]%30%33)(O%35)(=[O]%27)=[O]%46)([OH2])[O]=[W](O%34)(=O)(O%42)(O%44)O%37)=O)(=O)O%36)=O)=O)=O)([OH2])([O]=[W](O%12)(=O)(O%24)(O%26)O%19)([OH2])([O]=[W]%12%15([O]%17[W](O[W]%17(O%25)(O%22)(O%15)=O)(=O)(O%12)(O[W]%21(O7)(=O)(O%20)O%23)O9)(=O)O[W]4([O]5%11)(O%16)(=[O]1)=[O]%28)[OH2])=O)(=O)O%18)=O)=O)=O)([OH2])([OH2])([O]=8)[OH2])(O2)=O)(O%14)=O)(=O)(O6)O%10)(O%13)=O)=O)=O)(=O)O3)=O.O.O.O.O.O.O.O.O.O.O.O.C[NH2+]C.C[NH2+]C.C[NH2+]C.C[NH2+]C.C[NH2+]C.C[NH2+]C.[Na+].[Na+]
• Title of publication: pH-controlled and sulfite anion-directed assembly of a family of cerium(III)-containing polyoxotungstates clusters.
• Authors of publication: Chen, Wei-Chao; Wang, Xin-Long; Jiao, Yan-Qing; Huang, Peng; Zhou, En-Long; Su, Zhong-Min; Shao, Kui-Zhan
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 18
• Pages of publication: 9486 - 9497
• a: 25.987 ± 0.004 Å
• b: 25.987 ± 0.004 Å
• c: 34.162 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 23070 ± 6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 122
• Hermann-Mauguin space group symbol: I -4 2 d
• Hall space group symbol: I -4 2bw
• Residual factor for all reflections: 0.0571
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.1003
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No