Information card for entry 4303390

Structure parameters

• Formula: Cu2 Ge2 H78 Mo18 Na12 O105
• Calculated formula: Cu2 Ge2 Mo18 Na12 O105
• SMILES: O=[Mo]1234O[Mo]567(O[Mo]8(=O)(O1)(O[Mo]19(O[Mo]%10%11%12(=O)O[Mo]%13%14(=O)(O1)O[Mo]1%15(=O)([O]%10[Mo]%10(=O)(=O)([O]5[Mo](=O)(O3)(O1%10)(=O)[O]47[Ge]([O]1[Cu]3([O]=2)[O]=[Mo]245(=O)O[Mo]7%10%16(=O)O[Mo]%17(=O)(O[Mo]%18%19(=O)(O[Mo]%20%21%22(=O)O[Mo]%23%24(=O)(O[Mo]%25%26(=O)([O]%20[Mo]%20(=O)(=O)([O]7[Mo](=O)(O4)([O]%25%20)(=O)[O]5%16[Ge]([O]%22%24%26)([O]%17%19)[O]3[Cu]1([O]=%23)[O]=%13)[O]%10%21)=O)O%18)=O)(O2)=O)([O]89)[O]%12%14%15)[O]6%11)=O)(=O)=O)=O)=O.[Na+].O.O.O.O.[Na+].O.O.[Na+].O.[Na+].O.O.O.O.[Na+].O.O.O.[Na+].O.O.O.O.O.O.[Na+].O.O.O.O.[Na+].O.O.[Na+].O.[Na+].O.O.O.O.[Na+].O.O.O.[Na+].O.O.O.O.O
• Title of publication: Rare Sandwich-Type Polyoxomolybdates Constructed from Di-/Tetra-Nuclear Transition-Metal Clusters and Trivacant Keggin Germanomolybdate Fragments
• Authors of publication: Suzhi Li; Junwei Zhao; Pengtao Ma; Juan Du; Jingyang Niu; Jingping Wang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 9819 - 9830
• a: 13.2369 ± 0.0008 Å
• b: 13.5286 ± 0.0008 Å
• c: 16.6405 ± 0.0013 Å
• α: 73.285 ± 0.001°
• β: 66.56°
• γ: 60.71°
• Cell volume: 2368.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0347
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0862
• Weighted residual factors for all reflections included in the refinement: 0.0875
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No