Information card for entry 7212959

Structure parameters

• Formula: C8 H36 Mo8 N4 O28
• Calculated formula: C8 H36 Mo8 N4 O28
• SMILES: C[N+](C)(C)C.[NH4+].[O]1234[Mo]56([O]7[Mo]891(=O)O[Mo]1%10([O]%11%128[Mo]7([O]6[Mo]64%12([O]4[Mo]%11([O]9[Mo]34(O[Mo]2(O5)(=O)(O6)=O)(=O)=O)(O%10)(=O)=O)=O)(O1)(=O)=O)(=O)=O)(=O)=O.O.C[N+](C)(C)C.[NH4+].O
• Title of publication: Two new inorganic-organic hybrid salts: [NH2Me2]4[NMe4]2-[Mo0.5O4⊂(Mo12O36)]·1.5H2O and [NMe4]2[NH4]2[Mo8O26]·2H2O
• Authors of publication: Duraisamy, T.; Ramanan, A.; Vittal, J. J.
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 1999
• Journal volume: 9
• Journal issue: 3
• Pages of publication: 763
• a: 11.2641 ± 0.0001 Å
• b: 16.3815 ± 0.0001 Å
• c: 10.0775 ± 0.0001 Å
• α: 90°
• β: 110.242 ± 0.001°
• γ: 90°
• Cell volume: 1744.68 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0279
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for all reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.0622
• Goodness-of-fit parameter for all reflections: 1.101
• Goodness-of-fit parameter for significantly intense reflections: 1.126
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No