Information card for entry 2241397

Structure parameters

• Chemical name: Tetrakis(3,5-dimethylpyrazolium) β-octamolybdate tetrahydrate
• Formula: C20 H44 Mo8 N8 O30
• Calculated formula: C20 H40 Mo8 N8 O30
• Title of publication: Redetermination of the crystal structure of 3,5-dimethylpyrazolium β-octamolybdate tetrahydrate
• Authors of publication: Amarante, Tatiana R.; Gonçalves, Isabel S.; Almeida Paz, Filipe A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 12
• Pages of publication: m244 - m245
• a: 10.1105 ± 0.0009 Å
• b: 10.7469 ± 0.0009 Å
• c: 11.9839 ± 0.001 Å
• α: 64.103 ± 0.003°
• β: 84.272 ± 0.003°
• γ: 75.826 ± 0.003°
• Cell volume: 1135.67 ± 0.17 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.044
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.0503
• Weighted residual factors for all reflections included in the refinement: 0.056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes