Information card for entry 7214001

Structure parameters

• Formula: C18 H127 Ce Cu N18 Na2 O143 P4 W34
• Calculated formula: C12 H52 Ce Cu N12 Na2 O142 P4 W34
• SMILES: C1C[N][Cu]2([NH2]1)[NH2]CC[N]2.C(C[NH3+])[NH3+].C(C[NH3+])[NH3+].O1[W]234(O[W]567(O[W]89%10(O[W]%11%121(O[W]1(O[W]%13%14%15(O[W]%16%17(O[W]%18%19([O]2=P2%20[O]%21[W]%22%23%24(O[W]%25(=[O][Ce]%26%27%28%29([O]=[W]%30([O]2[W](O[W]%21(O[W]2([O]%21=P%31([O]%11%16)[O]9[W]9(O%25)(O[W]%21(O%23)(O2)(O[W](O%14)([O]%15%31)(O1)(=O)O9)=O)(O8)=O)(O%13)(O%17)=O)(O%24)(=O)O%19)(O%18)(=O)(=[O]%26)O%30)(O5)(O3)=O)(O%22)[O]=[W]123(O[W]589(O[W]%11%13%14([O]%15=P%16%17[O]%18[W]%19%21(O[W]%22(O1)([O]1=P%23%24[O]5[W]5(O[W]%25%26(=[O]%28)(O[W]%28%30%31(O[W]%15(O5)(O%11)(O[W]5%11(O[W](O%19)(O%13)(=O)(O[W]%13(O[W]%15%18(O[W]%181(O[W](O[W](O%15)(O%28)([O]%16%30)(O%13)=O)(O[W](O2)(=[O]%27)([O]3%23)(O%18)=O)(=O)(O%25)[O]%24%26)(=O)O%22)(O%21)=O)(O%11)=O)[O]%175)(=O)O%31)=O)=O)=O)(=[O]%29)(O9)=O)(=O)O8)(=O)O%14)=O)=O)=O)(O6)(=O)[O]7%20)=O)(=O)O4)(=O)O%12)=O)(=O)O%10)=O)=O)=O)=O.[Na+].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
• 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: 48.5506 ± 0.0011 Å
• b: 13.6364 ± 0.0005 Å
• c: 22.1072 ± 0.0005 Å
• α: 90°
• β: 100.436 ± 0.002°
• γ: 90°
• Cell volume: 14394.1 ± 0.7 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: 0.0934
• Residual factor for significantly intense reflections: 0.0746
• Weighted residual factors for significantly intense reflections: 0.182
• Weighted residual factors for all reflections included in the refinement: 0.1974
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No