Information card for entry 4340934

Structure parameters

• Formula: C4 H65 Ce2 N2 Na7 O122 S3 W28
• Calculated formula: C4 H16 Ce2 N2 Na0.5 O108 S3 W28
• SMILES: C[NH2+]C.C[NH2+]C.O1[W]234(=[O][Ce]5678([O]=[W]9%10%11(O[W]%12(O2)(O[W]21(O[W]1%13%14(O[W]%15(O2)(=O)O[W](O%11)(O[W]2(=O)(O[W]([O]=S(O1)O%10)(O9)(=[O]7)(O[W](=O)(O[W]17(=[O][Ce]9%10%11%16([O]=[W]%17%18([O]%19S%20=[O]%21[W]%22%23(=[O]8)(O[W]%19(O3)(O%17)(=O)O[W]3(=O)(O[W]8%17(O[W]%19(O[W]%24%25(O[W]%26%27(=[O]%10)(O[W]%10%28(=[O]%16)(OS(=[O][W]%16%29(O1)(O[W](=O)(O7)(O[W]1(O[W](O[W](O%25)(=O)(O1)O%27)(O%29)(O[W](O%16)(O%24)(O%19)=O)=O)(=O)O%10)O%28)=O)O%26)=O)=O)=O)(O[W]%21(=[O]5)(=O)(O8)O%22)(=O)=[O]%11)([O]%20[W](=[O]9)(=O)(O%18)(O%17)O3)=O)O%23)=O)(=O)O4)([OH2])[OH2])(O%13)=[O]6)(O%14)O2)=O)O%15)(O%12)=O)=O)=O)=O)=O)[OH2])=O.[Na+].O.O.O.O.O
• 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: 15.929 ± 0.002 Å
• b: 16.781 ± 0.002 Å
• c: 27.229 ± 0.004 Å
• α: 78.097 ± 0.002°
• β: 79.359 ± 0.002°
• γ: 65.014 ± 0.002°
• Cell volume: 6416.3 ± 1.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0938
• Residual factor for significantly intense reflections: 0.0708
• Weighted residual factors for significantly intense reflections: 0.1806
• Weighted residual factors for all reflections included in the refinement: 0.192
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No