Information card for entry 7011280

Structure parameters

• Chemical name: Dibromo-di-μ~2~-ethoxo-di-μ~3~- oxo-di-μ~2~-oxo-tetraoxotetrapyridine tetramolybdenum(V).acetonitrile (1/2)
• Formula: C28 H36 Br2 Mo4 N6 O10
• Calculated formula: C28 H36 Br2 Mo4 N6 O10
• 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: 12.4794 ± 0.0002 Å
• b: 12.7579 ± 0.0001 Å
• c: 13.5427 ± 0.0002 Å
• α: 67.5773 ± 0.0005°
• β: 82.6479 ± 0.0005°
• γ: 70.4822 ± 0.0005°
• Cell volume: 1878.6 ± 0.04 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: 0.046
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.1116
• Weighted residual factors for all reflections included in the refinement: 0.1161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No