Information card for entry 2019020

Structure parameters

• Chemical name: 1,1'-(butane-1,4-diyl)bis(1<i>H</i>-imidazol-3-ium) 1-[4-(1<i>H</i>-imidazol-1-yl)butyl]-1<i>H</i>-imidazol-3-ium tetracosa-μ~2~-oxido-dodecaoxido-μ~12~-phosphato-dodecamolybdenum(VI) dihydrate
• Formula: C20 H34 Mo12 N8 O42 P
• Calculated formula: C20 H34 Mo12 N8 O42 P
• Title of publication: Two polyoxometallate-based supramolecular compounds influenced by the ratio between the polyoxometallate anion and organic cation
• Authors of publication: Zhang, Qian; Liu, Jie; Lu, Jing; Gong, Shu-Wen
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 6
• Pages of publication: 588 - 593
• a: 11.235 ± 0.0012 Å
• b: 11.7211 ± 0.0013 Å
• c: 11.8459 ± 0.0013 Å
• α: 102.194 ± 0.001°
• β: 98.184 ± 0.001°
• γ: 115.998 ± 0.002°
• Cell volume: 1320.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0711
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1069
• Weighted residual factors for all reflections included in the refinement: 0.1226
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes