Information card for entry 7252114

Structure parameters

• Formula: C76 H82 Mn2 N8 O30 S6
• Calculated formula: C76 H82 Mn2 N8 O30 S6
• Title of publication: A hydrogen-bonded manganese(II) complex assembled by bipyridyl-organodisulfonate ligands exhibiting ultrahigh superprotonic conductivity
• Authors of publication: Xu, Tao; Sun, Ao-Na; Liu, Rui-Han; Cai, Meng-Tan; Zhang, Si-Chen; Shao, Dong
• Journal of publication: CrystEngComm
• Year of publication: 2026
• a: 17.391 ± 0.003 Å
• b: 16.468 ± 0.003 Å
• c: 14.505 ± 0.003 Å
• α: 90°
• β: 93.998 ± 0.005°
• γ: 90°
• Cell volume: 4144.1 ± 1.3 ų
• Cell temperature: 333 ± 0.1 K
• Ambient diffraction temperature: 333 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0956
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.1522
• Weighted residual factors for all reflections included in the refinement: 0.174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No