Information card for entry 7721023

Structure parameters

• Chemical name: LHCMo12
• Formula: C28 H60 Mo12 N8 O52 S12
• Calculated formula: C28 H60 Mo12 N8 O52 S12
• Title of publication: Azole-carboxylate-modulated assembly of [Mo2O2S2]2+ units: structural evolution from {Mo12} to {Mo16} rings for enhanced proton conductivity
• Authors of publication: Liu, Huachao; Tang, Rongqing; Ma, Yubin; Shao, Zhiyu; Xuan, Weimin
• Journal of publication: Dalton Transactions
• Year of publication: 2026
• a: 9.6711 ± 0.0004 Å
• b: 14.2667 ± 0.0005 Å
• c: 16.4303 ± 0.0007 Å
• α: 70.022 ± 0.003°
• β: 73.351 ± 0.004°
• γ: 87.078 ± 0.003°
• Cell volume: 2038.46 ± 0.15 ų
• Cell temperature: 170 ± 0.1 K
• Ambient diffraction temperature: 170 ± 0.1 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: 0.041
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.1085
• Weighted residual factors for all reflections included in the refinement: 0.1093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No