Information card for entry 7020005

Structure parameters

• Formula: C26 H151 Cu5 Er2 Ge4 K N26 Na2 O173 W44
• Calculated formula: C26 H110 Cu5 Er2 Ge4 K N26 Na2 O173 W44
• SMILES: C1C[NH2][Cu]2([NH2]1)[NH2]CC[NH2]2.C1C[NH2][Cu]2([NH2]1)[NH2]CC[NH2]2.[K+].O=[W]1234O[W]567(=O)O[W]89(O2)(O[W]2%10%11(O[W]%12%13([O]%141[W]1(O4)(=O)(O%12)O[W]4%12(O[W]%15%16(O1)([O]1%17[W]%18(O[W]1(O%13)(O%11)(=O)O%15)(O%16)(O[W](O2)([O]8%10[Ge]%14%17[O]5%12)(O9)(=O)=[O][Er]125([O]=[W]89%10(O[W]%11%12%13(O[W]%14%15%16(O[W]%17%19(=O)(O%11)O[W]%11(O8)(=[O]1)(=O)O[W]18([O]%17%11[Ge]%11%17[O]%20%15[W]%15(O1)(O%14)(=O)O[W]1%20(O%16)(=O)O[W](O9)(O%12)([O]%10%13%11)(=O)O[W]9([O]%17[W](=[O]2)(O8)(=O)(O%15)O9)(=O)(O1)=[O]5)(O%19)=O)=O)=O)=O)([O]=4)([O]=7)[O]=%18)=O)=O)(=O)O6)(O3)=O)=O)=O.C([NH3+])C[NH3+].C(C[NH3+])[NH3+].[Cu]12([NH2]CC[NH2]1)[NH2]CC[NH2]2.O.[W]1234(=O)O[W]567(=O)O[W]89(O1)(=O)O[W]1%10%11(=[O][Er]%12%13%14%15%16([O]=[W]%17(O1)(O2)(=O)O[W]12([O]3%17[Ge]3%17[O]%186[W]6(O1)(O5)(=O)O[W]1%18(O7)(=O)O[W](O%10)(O8)([O]9%113)(=O)O[W]3([O]%17[W](=[O]%15)(O2)(=O)(O6)O3)(=O)(O1)[O]=%16)(O4)=O)O[W]123(O[W]456([O]78[W]9%10(=O)(O[W]%11([O]2[Ge]28[O]8%15[W]%16%17(O[W]%188(O[W]7(O%10)(O6)(=O)O[W]67(O%18)(=O)O[W]8([O]26[W](O5)(O7)(=O)(O8)O1)(O%17)(=O)=[O]%14)(=O)O[W]%15(O9)(O%11)(=O)O%16)(=O)=[O]%13)(O3)(=O)=[O]%12)O4)=O)=O)=O.[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.C1C[NH2][Cu]2([NH2]1)[NH2]CC[NH2]2.C1C[NH2][Cu]2([NH2]1)[NH2]CC[NH2]2.C(C[NH3+])[NH3+].O.[Na+].O.O
• Title of publication: Novel polyoxometalate hybrids consisting of copper-lanthanide heterometallic/lanthanide germanotungstate fragments.
• Authors of publication: Zhao, Junwei; Shi, Dongying; Chen, Lijuan; Li, Yanzhou; Ma, Pengtao; Wang, Jingping; Niu, Jingyang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 35
• Pages of publication: 10740 - 10751
• a: 17.545 ± 0.003 Å
• b: 24.176 ± 0.005 Å
• c: 24.666 ± 0.005 Å
• α: 90°
• β: 103.843 ± 0.004°
• γ: 90°
• Cell volume: 10159 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 10
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0738
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.0848
• Weighted residual factors for all reflections included in the refinement: 0.0886
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No