Information card for entry 7011278

Structure parameters

• Chemical name: Dipyridinium tetrabromo-di-μ~2~-ethoxo-diethanol-di-μ~3~- oxo-di-μ~2~-oxo-tetraoxotetramolybdate(V)
• Formula: C18 H34 Br4 Mo4 N2 O12
• Calculated formula: C18 H34 Br4 Mo4 N2 O12
• SMILES: [nH+]1ccccc1.O1[Mo]23(=O)([O]4[Mo]5(=O)(O[Mo](=O)([O]25)([O]3CC)([OH]CC)Br)([O](CC)[Mo]14(=O)([OH]CC)Br)Br)Br.[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: 9.2124 ± 0.0001 Å
• b: 9.8416 ± 0.0001 Å
• c: 10.432 ± 0.0001 Å
• α: 110.837 ± 0.0006°
• β: 104.175 ± 0.0006°
• γ: 99.9521 ± 0.0006°
• Cell volume: 821.027 ± 0.016 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0337
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0547
• Weighted residual factors for all reflections included in the refinement: 0.0576
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No