Information card for entry 7213999

Structure parameters

• Formula: C20 H149 Cu Eu N20 Na2 O150 P4 W34
• Calculated formula: C12 H56 Cu Eu N12 Na2 O144 P4 W34
• SMILES: C1C[NH2][Cu]2([NH2]1)[NH2]CC[NH2]2.C(C[NH3+])[NH3+].C(C[NH3+])[NH3+].O1[W]234(O[W]567(=[O][Eu]89%10%11(O[W]%12%13%14(O[W]%15%16(O[W]%17%18%19(O[W]%20%21%22(O[W]%23%24([O]%25=P%26%27[O]%28[W]%29%30%31(O[W]%32%28(O[W]%28(O[W](O[W]%25(O[W]%25%33%34([O](P%35(=[O]2[W]1(O[W](=[O]8)(O%13)([O]%14%35)(O%33)=O)(O%31)(O%34)=O)[O]6%16)[W](O%15)(O%12)(O%25)(O%23)=O)=O)(=O)(O%30)O%24)(=O)(O%29)(O%20)[O]%21%27%28)(O[W](O5)([O]%17%26)(O%32)(O%19)=O)(O%22)=O)(O3)=O)=O)(O%18)=O)=O)=O)(=O)O7)=O)(O4)[O]=[W]123(O[W]456(O[W]78%12(O[W]%13%14%15(O[W]%16%17([O]%18=P%19%20[O]%21[W]%22%23%24(O[W]%25%26%21(O[W]%21%27(O[W](O[W]%28(=[O]%10)(O[W]%10(O[W]%29%30([O]%10=P%10([O]%31[W](O4)(O1)(O[W]%31(O[W]%18(O[W](=O)(O%21)(O%22)(O%14)[O]%15%20%27)(=O)(O%23)O%17)(O[W](=[O]9)(O2)(O%29)([O]3%10)=O)(=O)O%30)(O%16)=O)[O]5%28)(O%24)=O)(=O)(O%25)=[O]%11)(=O)O6)(O7)([O]8%19)(=O)O%26)(O%13)=O)=O)=O)(O%12)=O)=O)=O)=O)=O)=O)=O.[Na+].O.O.O.O.O.O.O.O.O.O.O.C(C[NH3+])[NH3+].C(C[NH3+])[NH3+].[Na+].O.O.O.O.O.O.O.O.O.O.O
• Title of publication: A series of organic‒inorganic hybrids based on lanthanide-substituted Dawson-type phosphotungstate dimers and copper‒en linkers
• Authors of publication: Zhao, Hai-Yan; Zhao, Jun-Wei; Yang, Bai-Feng; He, Huan; Yang, Guo-Yu
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 11
• Pages of publication: 2230
• a: 48.3988 ± 0.0017 Å
• b: 13.6295 ± 0.0004 Å
• c: 22.1644 ± 0.0006 Å
• α: 90°
• β: 100.66 ± 0.003°
• γ: 90°
• Cell volume: 14368.5 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 9
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0545
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0795
• Weighted residual factors for all reflections included in the refinement: 0.0848
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No