Information card for entry 7011277

Structure parameters

• Chemical name: Dipyridinium tetrachloro-di-μ~2~-ethoxo-diethanol-di-μ~3~- oxo-di-μ~2~-oxo-tetraoxotetramolybdate(V)
• Formula: C18 H34 Cl4 Mo4 N2 O12
• Calculated formula: C18 H34 Cl4 Mo4 N2 O12
• SMILES: [nH+]1ccccc1.O1[Mo]23(=O)([O]4[Mo]5(=O)(O[Mo](=O)([O]25)([O]3CC)([OH]CC)Cl)([O](CC)[Mo]14(=O)([OH]CC)Cl)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: 9.193 ± 0.001 Å
• b: 9.7236 ± 0.0009 Å
• c: 10.441 ± 0.002 Å
• α: 110.69 ± 0.01°
• β: 104.24 ± 0.02°
• γ: 100.2 ± 0.01°
• Cell volume: 809.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0299
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.0613
• Weighted residual factors for all reflections included in the refinement: 0.0637
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No