Information card for entry 7010763

Structure parameters

• Formula: C44 H80 Mo4 N4 O18
• Calculated formula: C44 H80 Mo4 N4 O18
• SMILES: c12[n]([Mo]3([O]4[Mo](O3)(=O)(=O)[O]3[Mo]4(O[Mo]43([n]3c(c(ccc3)O)C(=O)O4)(=O)=O)(=O)=O)(=O)(=O)OC1=O)cccc2O.C(CCC)[N+](CCCC)(CCCC)CCCC.C(CCC)[N+](CCCC)(CCCC)CCCC
• Title of publication: Polynuclear molybdenum and tungsten complexes of 3-hydroxypicolinic acid and the crystal structures of (nBu4N)2[Mo4O12(picOH)2] and (nHex4N)2[Mo2O6(picOH)2]
• Authors of publication: Susana M. O. Quintal; Helena I. S. Nogueira; Helena M. Carapuça; Vitor Félix; Michael G. B. Drew
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2001
• Journal issue: 21
• Pages of publication: 3196 - 3201
• a: 8.758 ± 0.011 Å
• b: 17.54 ± 0.023 Å
• c: 18.56 ± 0.025 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2851 ± 6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 2 21 21
• Hall space group symbol: P 2bc 2
• Residual factor for all reflections: 0.0748
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.1291
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No