Information card for entry 2227102

Structure parameters

• Chemical name: Tetrapyridinium μ-oxido-di-μ-sulfato-bis[chloridodioxidomolybdate(VI)]
• Formula: C20 H24 Cl2 Mo2 N4 O13 S2
• Calculated formula: C20 H24 Cl2 Mo2 N4 O13 S2
• SMILES: [Mo]12(Cl)(O[Mo](Cl)(=O)(=O)(OS(=O)(=O)O1)OS(=O)(=O)O2)(=O)=O.[nH+]1ccccc1.[nH+]1ccccc1.[nH+]1ccccc1
• Title of publication: Tetrapyridinium μ-oxido-di-μ-sulfato-bis[chloridodioxidomolybdate(VI)]
• Authors of publication: Fernandes, José A.; Gomes, Ana C.; Figueiredo, Sónia; Gago, Sandra; Lopes, André D.; Pillinger, Martyn; Ribeiro-Claro, Paulo J. A.; Gonçalves, Isabel S.; Almeida Paz, Filipe A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: m1005 - m1006
• a: 10.517 ± 0.004 Å
• b: 49.281 ± 0.015 Å
• c: 17.557 ± 0.006 Å
• α: 90°
• β: 95.07 ± 0.03°
• γ: 90°
• Cell volume: 9064 ± 5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2563
• Residual factor for significantly intense reflections: 0.0979
• Weighted residual factors for significantly intense reflections: 0.2046
• Weighted residual factors for all reflections included in the refinement: 0.286
• Goodness-of-fit parameter for all reflections included in the refinement: 0.944
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes