Information card for entry 7706217

Structure parameters

• Formula: C118 H156 N32 Ni3 O98 P2 S16 W24
• Calculated formula: C118 H156 N32 Ni3 O98 P2 S16 W24
• Title of publication: Assembly of polyoxometalate-thiacalix[4]arene-based inorganic-organic hybrids as efficient catalytic oxidation desulfurization catalysts.
• Authors of publication: Li, Jie; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 4
• Pages of publication: 1349 - 1356
• a: 13.5204 ± 0.0005 Å
• b: 14.1184 ± 0.0005 Å
• c: 32.4331 ± 0.0012 Å
• α: 92.065 ± 0.003°
• β: 99.761 ± 0.003°
• γ: 106.404 ± 0.003°
• Cell volume: 5830 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1207
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.1227
• Weighted residual factors for all reflections included in the refinement: 0.1549
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No