Information card for entry 7132232

Structure parameters

• Formula: C12 H144 K2 Mo20 N4 O130 P12 S20
• Calculated formula: C12 H24 K2 Mo20 N4 O70 P12 S20
• 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: 11.155 ± 0.007 Å
• b: 28.056 ± 0.019 Å
• c: 28.151 ± 0.015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8810 ± 9 ų
• Cell temperature: 280.31 K
• Ambient diffraction temperature: 280.31 K
• Number of distinct elements: 8
• Space group number: 71
• Hermann-Mauguin space group symbol: I m m m
• Hall space group symbol: -I 2 2
• Residual factor for all reflections: 0.0677
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1139
• Weighted residual factors for all reflections included in the refinement: 0.1207
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• 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