Information card for entry 7011276

Structure parameters

• Chemical name: Dipyridinium tetrachloro-di-μ~2~-methoxo-dimethanol-di- μ~3~-oxo-di-μ~2~-oxo-tetraoxotetramolybdate(V)
• Formula: C14 H26 Cl4 Mo4 N2 O12
• Calculated formula: C14 H26 Cl4 Mo4 N2 O12
• SMILES: [nH+]1ccccc1.O=[Mo]123(O[Mo]4(=O)([O]1[Mo]1(=O)(O[Mo]([O]2C)(=O)([O]31)([OH]C)Cl)([O]4C)Cl)([OH]C)Cl)Cl.[nH+]1ccccc1
• Title of publication: A templated synthesis of tetranuclear polyoxoalkoxymolybdates(V). Bromo coordinated oxomolybdenum(V) clusters: known core structure with new ligands. Oxidation to the Lindquist anion
• Authors of publication: Barbara Modec; Jurij V. Brenčič; Jon Zubieta
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 7
• Pages of publication: 1500 - 1507
• a: 9.0503 ± 0.0009 Å
• b: 9.2675 ± 0.0009 Å
• c: 9.7103 ± 0.0009 Å
• α: 109.404 ± 0.002°
• β: 110.841 ± 0.002°
• γ: 98.077 ± 0.002°
• Cell volume: 686.3 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0363
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0745
• Weighted residual factors for all reflections included in the refinement: 0.0778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No