Information card for entry 8103189

Structure parameters

• Chemical name: diaqua-tri[3,3'-(butane-1,4-diyl)diimidazol-1-ium]octamolybdate
• Formula: C30 H50 Mo8 N12 O28
• Calculated formula: C30 H50 Mo8 N12 O28
• Title of publication: Crystal structure of [3,3'-butylenebis(imidazole-1,1'-diium)]bis[3,3'-butylenebis(imidazol-1-ium)]octamolybdate — water (1:2), [C10H16N4][(C10H15N4)Mo8O26] • 2H2O
• Authors of publication: Wei-Qiu Kan; Jian-Fang Ma
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2011
• Journal volume: 226
• Journal issue: 4
• Pages of publication: 497
• a: 11.3318 ± 0.0003 Å
• b: 11.812 ± 0.0003 Å
• c: 12.1403 ± 0.0003 Å
• α: 60.949 ± 0.002°
• β: 86.274 ± 0.002°
• γ: 65.506 ± 0.002°
• Cell volume: 1273.58 ± 0.07 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: 0.0385
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0529
• Weighted residual factors for all reflections included in the refinement: 0.0551
• Goodness-of-fit parameter for all reflections included in the refinement: 0.935
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No