Information card for entry 7040882

Structure parameters

• Formula: C12 H19.5 Ag4 N4 O14.75
• Calculated formula: C12 H19.5 Ag4 N4 O14.75
• Title of publication: Water sandwiched by a pair of aromatic rings in a proton-conducting metal-organic framework.
• Authors of publication: Dong, Xi-Yan; Li, Xue; Li, Bo; Zhu, Yan-Yan; Zang, Shuang-Quan; Tang, Ming-Sheng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 45
• Pages of publication: 18142 - 18146
• a: 9.6914 ± 0.0009 Å
• b: 17.9225 ± 0.0016 Å
• c: 13.0999 ± 0.0012 Å
• α: 90°
• β: 109.831 ± 0.01°
• γ: 90°
• Cell volume: 2140.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 5
• 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: 0.0516
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0908
• Weighted residual factors for all reflections included in the refinement: 0.0977
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No