Information card for entry 2213503

Structure parameters

• Chemical name: Tetrakis(1-n-hexylpyridinium) octamolybdate
• Formula: C44 H72 Mo8 N4 O26
• Calculated formula: C44 H72 Mo8 N4 O26
• SMILES: c1cccc[n+]1CCCCCC.[n+]1(ccccc1)CCCCCC.O=[Mo]123(=O)O[Mo]45(=O)(=O)[O]672[Mo]2(=O)(=O)([O]8[Mo]9%10(=O)(=O)O[Mo]%11%12(=O)(=O)O[Mo]%13%14(=O)(=O)[O]3[Mo]7(=O)([O]9%11%13[Mo]86(=O)([O]1%14)O%12)([O]2%10)O4)O5.c1cccc[n+]1CCCCCC.[n+]1(ccccc1)CCCCCC
• Title of publication: Tetrakis(1-<i>n</i>-hexylpyridinium) octamolybdate
• Authors of publication: Guo, Ming-Lin; Guo, Chen-Hu; Li, Hui-Zhen; Chang, Hong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: m1471 - m1471
• a: 15.474 ± 0.004 Å
• b: 12.051 ± 0.003 Å
• c: 16.592 ± 0.004 Å
• α: 90°
• β: 94.964 ± 0.005°
• γ: 90°
• Cell volume: 3082.4 ± 1.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.119
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 0.953
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes