Information card for entry 7038136

Structure parameters

• Formula: C16 H110 Mo21 N8 O98 P6
• Calculated formula: C12 H46 Mo21 N6 O84 P6
• Title of publication: Synthesis and characterization of [(HPO3)6Mo21O60(H2O)4](8-): a new redox active heteropoly blue cluster with layered shape containing a phosphite template that self-assembles under controlled microwave irradiation.
• Authors of publication: Jin, Xiang-Xiao; Yu, Wei-Dong; Nie, Yan-Mei; Liu, Meng-Shu; Yan, Jun
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 8
• Pages of publication: 3268 - 3271
• a: 13.5799 ± 0.0006 Å
• b: 20.0897 ± 0.0009 Å
• c: 23.0045 ± 0.001 Å
• α: 99.02 ± 0.003°
• β: 90.469 ± 0.003°
• γ: 107.358 ± 0.002°
• Cell volume: 5906 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1592
• Residual factor for significantly intense reflections: 0.0733
• Weighted residual factors for significantly intense reflections: 0.1784
• Weighted residual factors for all reflections included in the refinement: 0.2034
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No