Information card for entry 2226677

Structure parameters

• Chemical name: Tripyridinium <i>cis</i>-tetrachloridodioxidomolybdate(VI) chloride
• Formula: C15 H18 Cl5 Mo N3 O2
• Calculated formula: C15 H18 Cl5 Mo N3 O2
• SMILES: [Mo](=O)(=O)(Cl)(Cl)(Cl)Cl.[Cl-].[nH+]1ccccc1.[nH+]1ccccc1.[nH+]1ccccc1
• Title of publication: Tripyridinium <i>cis</i>-tetrachloridodioxidomolybdate(VI) chloride
• Authors of publication: Fernandes, José A.; Gomes, Ana C.; Figueiredo, Sónia; Gago, Sandra; 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: 7
• Pages of publication: m862 - m863
• a: 11.3972 ± 0.0002 Å
• b: 11.3972 ± 0.0002 Å
• c: 29.4265 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3310.29 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 152
• Hermann-Mauguin space group symbol: P 31 2 1
• Hall space group symbol: P 31 2"
• Residual factor for all reflections: 0.0562
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0662
• Weighted residual factors for all reflections included in the refinement: 0.0735
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes