Information card for entry 4332482

Structure parameters

• Formula: C12 H36 F3 Mo7 N3 Na2 O28
• Calculated formula: C12 H36 F3 Mo7 N3 Na2 O28
• SMILES: [F]1[Mo]23(O[Mo]41(O[Mo]15([F][Mo]6(O1)(=O)([O]1[Mo]([O]2[Mo]2([F][Mo]1(O2)(=O)(=O)O6)(O3)(=O)=O)([O]45)=O)=O)(=O)=O)(=O)=O)(=O)=O.[Na+].O.[N+](C)(C)(C)C.[N+](C)(C)(C)C.[N+](C)(C)(C)C.[Na+].O.O.O.O.O
• Title of publication: Synthesis and Characterization of Novel Fluorinated Poly(oxomolybdates)
• Authors of publication: Michailovski, Alexej; Rüegger, Heinz; Sheptyakov, Denis; Patzke, Greta R.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 14
• Pages of publication: 5641 - 5652
• a: 11.7628 ± 0.0011 Å
• b: 11.8564 ± 0.0011 Å
• c: 17.0575 ± 0.0016 Å
• α: 108.66 ± 0.003°
• β: 93.991 ± 0.003°
• γ: 106.434 ± 0.003°
• Cell volume: 2128 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0856
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.0808
• Weighted residual factors for all reflections included in the refinement: 0.0945
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No