Information card for entry 4315375

Structure parameters

• Formula: C51 H58.33 Ag2 N12 O3.17
• Calculated formula: C51 H54 Ag2 N12 O3.16667
• Title of publication: Construction of a Ag12 High-Nuclearity Metallamacrocyclic 3D Framework
• Authors of publication: Jiyong Hu; Jin'an Zhao; Qianqian Guo; Hongwei Hou; Yaoting Fan
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 3679 - 3681
• a: 27.5892 ± 0.001 Å
• b: 27.5892 ± 0.001 Å
• c: 35.5762 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 23451.4 ± 1.6 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0716
• Residual factor for significantly intense reflections: 0.0689
• Weighted residual factors for significantly intense reflections: 0.1643
• Weighted residual factors for all reflections included in the refinement: 0.166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.221
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No