Information card for entry 7214000

Structure parameters

• Formula: C24 H157 Cu N24 Na2 O146 P4 Sm W34
• Calculated formula: C12 H56 Cu N12 Na2 O146 P4 Sm W34
• SMILES: C1C[NH2][Cu]2([NH2]1)[NH2]CC[NH2]2.C(C[NH3+])[NH3+].C(C[NH3+])[NH3+].[O]12=P34[O]5[W]678(=[O][Sm]9%10%11%12%13([O]=[W]%14%151(O[W]12(O[W]2%16%17(O[W]%18%19%20(O[W]%21%22%23(O[W]%24(O[W]5(O1)(O7)(O2)=O)(O%18)(=O)[O]1=P25[O]%19[W]7%18(O%20)(=O)O[W](=O)(O[W]%19%20(O%14)(O[W]%14%25(O[W]%26(O[W]([O]3%19)(=[O]%10)(O8)(O%20)=O)(O[W]3(O[W](O%25)([O]%2153)(O7)(=O)O%22)(O[W]1(O6)(O%26)(O%24)=O)(=O)O%23)([O]2%14)=O)(O%18)=O)=O)([O]4%16)(O%15)O%17)=O)=O)=O)(=[O]9)=O)=O)[O]=[W]123([O]4=P56[O]7[W]89(=[O]%11)(O[W]%10%11%14(O[W]%15%16%17(O[W]%187(O[W]4(O[W]47(O[W]%19%20(O[W]%21%22(O%16)(=O)[O]%16%23P%24(=[O]%19[W]%19%25(O%20)(=O)O[W](=O)(O[W]%20%26(O2)(O[W]2%27(O[W](O[W]([O]5%20)(=[O]%13)(O9)(O%26)=O)(O[W]%16(O%11)(=O)(O[W]%23(O%27)(O%19)(=O)O%21)O%22)([O]%242)(=O)O%14)(=O)O%25)=O)([O]64)(O3)O7)[O]%10%17)(O%15)=O)(=O)O%18)(O1)(=[O]%12)=O)(O8)=O)=O)=O)=O)=O)=O.[Na+].O.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.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: 48.4356 ± 0.0012 Å
• b: 13.5979 ± 0.0003 Å
• c: 22.1157 ± 0.0005 Å
• α: 90°
• β: 100.54 ± 0.002°
• γ: 90°
• Cell volume: 14320.1 ± 0.6 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: 0.0601
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.1127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No