Information card for entry 7118899

Structure parameters

• Formula: C12 H90 Mo12 N2 O52 S12
• Calculated formula: C12 H30 Mo12 N2 O48.8 S12
• Title of publication: Exploiting the equilibrium dynamics in the self-assembly of inorganic macrocycles based upon polyoxothiometalate building blocks.
• Authors of publication: Zang, Hongying; Surman, Andrew; Long, Deliang; Cronin, Leroy; Miras, Haralampos N.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 58
• Pages of publication: 9109 - 9112
• a: 38.31 ± 0.002 Å
• b: 17.3787 ± 0.0009 Å
• c: 12.5611 ± 0.0007 Å
• α: 90°
• β: 91.431 ± 0.005°
• γ: 90°
• Cell volume: 8360.3 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0807
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.1794
• Weighted residual factors for all reflections included in the refinement: 0.1864
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No