Information card for entry 8102639

Structure parameters

• Common name: Bis[3,3'-(butane-1,4-diyl)bis(2-ethylbenzimidazole)-1-ium] hexamolybdate(VI)
• Chemical name: Bis[3,3'-(butane-1,4-diyl)bis(2-ethylbenzimidazole)-1-ium] hexamolybdate(VI)
• Formula: C22 H28 Mo6 N4 O19
• Calculated formula: C22 H28 Mo6 N4 O19
• Title of publication: Crystal structure of 3,3'-(butane-1,4-diyl)bis(2-ethylbenzimidazole)-1-ium-(m6-oxo)-dodecakis(m2-oxo)-hexaoxohexamolybdenum(VI), [C22H28N4][Mo6O19]
• Authors of publication: Li-Hui Zhang; Jin Yang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 1
• Pages of publication: 201
• a: 7.8136 ± 0.0008 Å
• b: 10.412 ± 0.0009 Å
• c: 10.8054 ± 0.0009 Å
• α: 100.267 ± 0.007°
• β: 96.232 ± 0.007°
• γ: 107.605 ± 0.008°
• Cell volume: 812.02 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0451
• Weighted residual factors for all reflections included in the refinement: 0.0467
• Goodness-of-fit parameter for all reflections included in the refinement: 0.836
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No