Information card for entry 7118898

Structure parameters

• Formula: C12 H96 K3 Mo16 N O74 S16
• Calculated formula: C8 K3 Mo16 O73.6 S16
• 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: 20.6782 ± 0.001 Å
• b: 11.2433 ± 0.0005 Å
• c: 23.3822 ± 0.0011 Å
• α: 90°
• β: 108.634 ± 0.002°
• γ: 90°
• Cell volume: 5151.2 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0501
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.128
• Weighted residual factors for all reflections included in the refinement: 0.134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No