Information card for entry 2214745

Structure parameters

• Chemical name: Bis[1,1'-(butane-1,4-diyl)diimidazolium] δ-octamolybdate(VI)
• Formula: C20 H32 Mo8 N8 O26
• Calculated formula: C20 H32 Mo8 N8 O26
• SMILES: c1c[n+](c[nH]1)CCCCn1cc[nH+]c1.O=[Mo]123(=O)[O]4[Mo]5(=O)O[Mo]67(O[Mo](=O)(=O)O[Mo]4(O[Mo]([O]7[Mo](O[Mo](=O)(=O)O1)(O5)(=O)(=O)O6)(=O)O2)(=O)(=O)O3)(=O)=O.c1c[n+](c[nH]1)CCCCn1c[nH+]cc1
• Title of publication: Bis[1,1'-(butane-1,4-diyl)diimidazolium] δ-octamolybdate(VI)
• Authors of publication: Hai-Ge Hou; Jing-Lin Yang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: m2194 - m2194
• a: 12.252 ± 0.003 Å
• b: 13.766 ± 0.003 Å
• c: 12.405 ± 0.004 Å
• α: 90°
• β: 100.371 ± 0.004°
• γ: 90°
• Cell volume: 2058.1 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0253
• Residual factor for significantly intense reflections: 0.0205
• Weighted residual factors for significantly intense reflections: 0.0462
• Weighted residual factors for all reflections included in the refinement: 0.048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes