Information card for entry 7132233

Structure parameters

• Formula: C12 H52 K12 Mo16 N4 O92 P8 S16
• Calculated formula: C12 H52 K12 Mo16 N4 O92 P8 S16
• Title of publication: The assembly of [Mo2O2S2]2+ based on polydentate phosphonate templates and their proton conductivity
• Authors of publication: Li, Bo; Meng, Yuxi; Liu, Qianqian; Chen, Xinyu; Liu, Xin; Zang, Hong-Ying
• Journal of publication: Chemical Communications
• Year of publication: 2023
• a: 29.5373 ± 0.0016 Å
• b: 17.6293 ± 0.001 Å
• c: 25.0402 ± 0.0013 Å
• α: 90°
• β: 96.514 ± 0.002°
• γ: 90°
• Cell volume: 12954.8 ± 1.2 ų
• Cell temperature: 173.01 K
• Ambient diffraction temperature: 173.01 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: 0.0653
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1198
• Weighted residual factors for all reflections included in the refinement: 0.1317
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No