Information card for entry 7013664

Structure parameters

• Common name: Tetracollidinium N-ethylpyridinium octaoxotetrasquaratotetramolybdate(V) bromide
• Chemical name: Tetracollidinium N-ethylpyridinium octaoxotetrasquaratotetramolybdate(V) bromide
• Formula: C55 H58 Br Mo4 N5 O24
• Calculated formula: C55 H58 Br Mo4 N5 O24
• Title of publication: Novel molybdenum(V) squarato complexes based on the dinuclear metal‒metal bonded unit: syntheses and structural characterization of dinuclear [Mo2O4(C4O4)(R-Py)4] and tetranuclear [Mo4O8(C4O4)4]4−
• Authors of publication: Barbara Modec; Jurij V. Brenčič; Eric M. Burkholder; Jon Zubieta
• Journal of publication: Dalton Trans.
• Year of publication: 2003
• Journal issue: 24
• Pages of publication: 4618 - 4625
• a: 11.0528 ± 0.0001 Å
• b: 22.6688 ± 0.0002 Å
• c: 12.118 ± 0.0002 Å
• α: 90°
• β: 96.0427 ± 0.0004°
• γ: 90°
• Cell volume: 3019.34 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0301
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0637
• Weighted residual factors for all reflections included in the refinement: 0.0665
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No