Information card for entry 4303391

Structure parameters

• Formula: C16 H110 Cr2 Ge2 Mo18 N4 Na6 O97
• Calculated formula: C16 H48 Cr2 Ge2 Mo18 N4 Na6 O97
• SMILES: C[N+](C)(C)C.C[N+](C)(C)C.[Cr]12345[O]6[Cr]789([O]1[Ge]1%10[O]%11%12[Mo]%13%14%15(=O)[O]%16[Mo]%17%18%19([O]%20%10[Mo]%10%21(=O)(=[O]8)[O]8[Mo]%12(=O)(=[O]5)(O[Mo]%11(=O)(=[O]2)(O[Mo]2([O]1[Mo](=O)(=O)(O2)(O%18)O[Mo]%20(=O)(=[O]7)(O%17)O%21)(=O)(=O)O%13)O%14)[O]%15[Mo]%168(=O)(=O)[O]%19%10)=O)[O]=[Mo]125([O]78[Ge]%106[O]6[Mo]%11(=O)(=O)(O2)O[Mo]26(=O)(=O)O[Mo]6%12([O]%13%10[Mo]%10(=O)([O]%14[Mo]7(=O)(O%11)(O5)[O]5[Mo]8(=O)(=[O]9)([O]7[Mo]%13(=O)(=[O]4)([O]%10[Mo]%1457(=O)=O)O%12)O1)(O6)O2)(=O)=[O]3)=O.O.O.O.O.O.O.O.O.[Na+].O.O.O.O.O.O.[Na+].O.O.[Na+].[Na+].O.O.O.[Na+].O.O.O.O.O.O.[Na+].O.O.O.O.O.C[N+](C)(C)C.C[N+](C)(C)C.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: 13.3571 ± 0.0012 Å
• b: 13.5019 ± 0.0012 Å
• c: 18.466 ± 0.0017 Å
• α: 76.931 ± 0.001°
• β: 77.583 ± 0.001°
• γ: 61.03 ± 0.001°
• Cell volume: 2816.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0278
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.0745
• Weighted residual factors for all reflections included in the refinement: 0.0758
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No