Information card for entry 4508199

Structure parameters

• Formula: C28 H179 Cu7 Gd4 Ge4 N28 Na3 O194 W46
• Calculated formula: C28 H112 Cu7 Gd4 Ge4 N28 Na3 O182 W46
• SMILES: C1C[NH2][Cu]2([NH2]1)[NH2]CC[NH2]2.C1C[NH2][Cu]2([NH2]1)[NH2]CC[NH2]2.C1[NH2][Cu]2([NH2]C1)[NH2]CC[NH2]2.O1[W]2345[O]67[W]89(O[W]%10%11%12([O]%13%14[Ge]%156[O]6%16[W]%17%18(O[W]%19%20%16(O[W]%14(O[W]%14%13(O[W]%13%16(O[W]6(O%18)(=O)(O%14)O%19)(=O)=[O][Gd]6%14([O]=3)([O]=%17)([O]=[W](O%10)(O8)([O]%15%13)(O%16)=O)[O]=[W]3(=[O][Gd]8%10%13([OH2])([O]=[W]%15%16%17(O[W]%18%19%21(O[W]%22%23%24(O[W]%25%26%27(O[W]%28%29([O]%22%25[Ge]%22%25[O]%30%31[W]%32(O[W]%33(O%26)(=O)(=[O]%10)[O]%25[W](O[W](O%18)(O%28)(=O)(O%15)[O]%16%21%22)(O%29)(=[O]8)(=O)O%33)(O%27)(=O)O[W]%30(O%19)(O%24)(=O)O[W]%31(O%32)(=O)(O%17)=[O]%13)(O%23)=O)=O)=O)=O)=O)[OH2])=[O][Gd]8%10%13%15([O]=[W](=[O]6)(=O)=[O][Gd]6%16%17([O]=3)([O]=[W]3%18%19([O]%21[Ge]%22%23[O]%24%25[W]%26%27(=[O]%17)(=[O]8)O[W]8%17%25(O[W]%25%24(O%27)(=O)O[W]%24%27%28(O[W]%29%30(O[W]%31(=[O]%16)(O%26)(=O)O[W]([O]%22%29%31)(O%30)(O[W]%16(=O)([O]%23%24[W](O%16)(=O)(O%27)(O[W]%21(=[O]6)(O8)(O3)=O)O%17)(O%18)O%28)(=O)O%19)(=O)O%25)=O)=O)=O)([OH2])[O]=5)[O]=[W]356(=O)[O]8%16[Ge]%17%18[O]%19%21[W]%22(O6)(=[O]%14)(O[W]6%14%21(O[W]%21%19(O%22)(=O)O[W]%19%22%23(O[W]8(O5)(=O)(O%21)O[W]5%16(O3)(=O)O[W]38(O[W]%16(O5)(=O)(=[O]%13)[O]%17[W](O%16)(=O)(O[W](O%14)(=O)(O%19)([O]%18%223)O8)(=[O]%15)O6)(=O)O%23)=O)=O)=[O]%10)(O%11)=O)(O%12)(=O)O[W]17(O%20)(O9)=O)=O)(O4)=O)=O)(=O)O2.C1C[NH2][Cu]2([NH2]1)[NH2]CC[NH2]2.C1C[NH2][Cu]2([NH2]CC[NH2]2)[NH2]1.C1C[NH2][Cu]2([NH2]1)[NH2]CC[NH2]2.C1C[NH2][Cu]2([NH2]1)[NH2]CC[NH2]2.[Na+].[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Tetrahedral Polyoxometalate Nanoclusters with Tetrameric Rare-Earth Cores and Germanotungstate Vertexes
• Authors of publication: Zhao, Junwei; Shi, Dongying; Chen, Lijuan; Ma, Pengtao; Wang, Jingping; Zhang, Jian; Niu, Jingyang
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 10
• Pages of publication: 4368
• a: 21.635 ± 0.002 Å
• b: 23.415 ± 0.003 Å
• c: 24.754 ± 0.003 Å
• α: 93.327 ± 0.002°
• β: 100.308 ± 0.002°
• γ: 97.322 ± 0.002°
• Cell volume: 12195 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1558
• Residual factor for significantly intense reflections: 0.0792
• Weighted residual factors for significantly intense reflections: 0.1368
• Weighted residual factors for all reflections included in the refinement: 0.1493
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No