Information card for entry 4338035

Structure parameters

• Formula: C20 H74 Ce N7 Na O76.5 Si2 W19
• Calculated formula: C20 H61 Ce N7 Na O76.5 Si2 W19
• SMILES: [W]1234(O[W]567([O]89[W]%10%11(=O)(O[W]%128(O[W]8%13%14([O]%15%16[W]%17(O%10)([O]%10[W]%18%19%20(O[W]%21%22%23([O]%24%25[W]%26%27(=O)(O[W]%28%29%30(O[W]%31(O%22)([O]%28[Si]%22%25[O]%25[W]%28%32%33(O[W](O%18)(O[W]%24(=O)(O%32)(O%21)O%27)([O]%19%22[Na]%18%16%10[O]%10[W]%16(O%28)(O[W](O%12)([O]1[Si]9%15[O]1[W]9(O[W]1(O4)(=[O][Ce]([O]%18=C%10[C@@H](O%16)[C@H](O[W]%25(=O)(O%29)(O%26)O%33)C(=O)[O-])([O]=%31)([O]=%30)([O]=9)([OH2])[OH]CC)(=O)O5)(O%11)(O%17)=O)(O2)(O8)=O)(O3)=O)(=O)O%13)=O)(O%20)=O)=O)O%23)=O)=O)(O%14)=O)=O)(O6)=O)O7)=O)=O.[NH2+](C)C.[NH2+](C)C.[NH2+](C)C.[NH2+](C)C.[NH2+](C)C.[NH2+](C)C.[NH2+](C)C.O.O.O
• Title of publication: Enantiomerically Pure Lanthanide-Organic Polytungstates Exhibiting Two-Photon Absorption Properties.
• Authors of publication: Ju, Wei-Wei; Zhang, Hai-Tao; Xu, Xiao; Zhang, Yu; Xu, Yan
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 7
• Pages of publication: 3269
• a: 14.044 ± 0.007 Å
• b: 28.147 ± 0.013 Å
• c: 14.654 ± 0.007 Å
• α: 90°
• β: 109.734 ± 0.006°
• γ: 90°
• Cell volume: 5452 ± 5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0775
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1101
• Weighted residual factors for all reflections included in the refinement: 0.123
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No