Information card for entry 7000532

Structure parameters

• Formula: C20 H92 Cu10 Ge2 N18 O78 W18
• Calculated formula: C20 H68 Cu10 Ge2 N18 O78 W18
• SMILES: C1C[NH2][Cu]2([NH2]1)[NH2]CC[NH2]2.C1C[NH]2CC[NH2][Cu]2([NH2]1)([OH2])[O]=[W]1234O[W]567(=O)O[W]89%10(=O)[O]%116[Ge]6%12[O]%132[W]2%14(O1)(=O)O[W]%11(O7)(O%10)(=O)[O]1[Cu]7%10([OH2])([O]=9)[O]9%12[Cu]%11%12%15%16[O]=[W]%17%18(=O)(O[W]%19(O5)(O4)(=O)[O]6%17[W]4(O%19)(O%18)(=O)O[W]%13(O3)(O%14)(=O)[O]3[Cu]56%139[O]2[Cu]21([NH2]CC[NH2]2)[O]75[W]125(=O)[O]79[Ge]%14%17[O]%18%19[W]%20%21%22(=O)O[W]%23%24%18(=O)O[W]9(=O)(O[W]7(=O)(O%20)(O[W]79(O%22)(=[O][Cu]%18%20([NH2]CC[NH]%18CC[NH2]%20)[OH2])O[W]%18%20(=O)([O]%147[W](O9)(O2)(O%20)(=O)[O]%10%15)O[W]%19(O%21)(O%24)(=O)[O]2[Cu]7([NH2]CC[NH2]7)([O]%114[Cu]32([OH2])(O%23)[O]%16%13%17)[O]%12%18)O1)(O5)O6)O8.[Cu]12([NH2]CC[NH2]1)[NH2]CC[NH2]2.O.O.O.O.O.O
• Title of publication: Combination of lacunary polyoxometalates and high-nuclear transition-metal clusters under hydrothermal conditions: first 65·8 CdSO4-type 3-D framework built by hexa-CuII sandwiched polyoxotungstates
• Authors of publication: Zhao, Jun-Wei; Zheng, Shou-Tian; Li, Zhao-Hui; Yang, Guo-Yu
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 8
• Pages of publication: 1300
• a: 23.606 ± 0.002 Å
• b: 12.867 ± 0.0009 Å
• c: 32.583 ± 0.003 Å
• α: 90°
• β: 107.593 ± 0.005°
• γ: 90°
• Cell volume: 9433.8 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0364
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0677
• Weighted residual factors for all reflections included in the refinement: 0.0703
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No