Information card for entry 7046499

Structure parameters

• Formula: H108 K8 Mo20 O98 S20 Te5
• Calculated formula: K7 Mo20 O95.3 S20 Te5
• Title of publication: Spontaneous formation of a chiral (Mo2O2S2)2±based cluster driven by dimeric {Te2O6}-based templates
• Authors of publication: Jamie W. Purcell; De-Liang Long; Edward C. Lee; Leroy Cronin; Haralampos N. Miras
• Journal of publication: Dalton Transactions
• Year of publication: 2018
• Journal volume: 47
• Pages of publication: 6283 - 6287
• a: 15.2433 ± 0.001 Å
• b: 18.1235 ± 0.0012 Å
• c: 25.9548 ± 0.0018 Å
• α: 107.582 ± 0.004°
• β: 95.258 ± 0.004°
• γ: 108.882 ± 0.003°
• Cell volume: 6323.3 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0785
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1345
• Weighted residual factors for all reflections included in the refinement: 0.1492
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No