Information card for entry 4519549

Structure parameters

• Formula: C6 H18 Ag N4 O6 P
• Calculated formula: C6 H18 Ag N4 O6 P
• Title of publication: Intermediate Temperature Superprotonic Conductivity beyond 10–2 S cm–1 with Low Proton Transfer Energy Barrier in a Metal–Organic Framework
• Authors of publication: Mukherjee, Debolina; Pal, Shyam Chand; Oruganti, Yasaswini; Lee, Byoung Gwan; Manna, Arun K.; Lim, Dae-Woon; Das, Madhab C.
• Journal of publication: ACS Energy Letters
• Year of publication: 2025
• Journal volume: 10
• Journal issue: 3
• Pages of publication: 1216 - 1228
• a: 18.051 ± 0.003 Å
• b: 10.851 ± 0.002 Å
• c: 6.3264 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1239.2 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0229
• Residual factor for significantly intense reflections: 0.0223
• Weighted residual factors for significantly intense reflections: 0.0556
• Weighted residual factors for all reflections included in the refinement: 0.0558
• Goodness-of-fit parameter for all reflections included in the refinement: 1.172
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No