Information card for entry 7045956

Structure parameters

• Formula: C4 H126 K9 Mo24 N O110 S24 Te6
• Calculated formula: K8.8 Mo24 O108.5 S24 Te6
• Title of publication: Spontaneous Formation of Chiral (Mo2O2S2)2±based Cluster Driven by Dimeric {Te2O6} Based Templates
• Authors of publication: Purcell, Jamie; Long, Deliang; Lee, Edward; Cronin, Lee; Miras, Haralampos N.
• Journal of publication: Dalton Transactions
• Year of publication: 2018
• a: 33.906 ± 0.003 Å
• b: 18.8942 ± 0.0016 Å
• c: 29.641 ± 0.003 Å
• α: 90°
• β: 119.541 ± 0.004°
• γ: 90°
• Cell volume: 16520 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• 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: 0.0847
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1363
• Weighted residual factors for all reflections included in the refinement: 0.1562
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No