Information card for entry 7014789

Structure parameters

• Formula: C21 H22 Ag2 N4 O6
• Calculated formula: C21 H22 Ag2 N4 O6
• Title of publication: The first metal-organic framework containing an unprecedented in situ-generated C-substituted hexamethylenetetramine ligand.
• Authors of publication: Deng, Zhao-Peng; Huo, Li-Hua; Xu, Hui; Zhao, Hui; Ng, Seik Weng; Gao, Shan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 6
• Pages of publication: 1224 - 1226
• a: 6.0834 ± 0.0005 Å
• b: 12.8715 ± 0.0011 Å
• c: 13.5851 ± 0.0012 Å
• α: 101.212 ± 0.003°
• β: 91.969 ± 0.003°
• γ: 97.795 ± 0.002°
• Cell volume: 1031.78 ± 0.15 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0978
• Residual factor for significantly intense reflections: 0.0697
• Weighted residual factors for significantly intense reflections: 0.187
• Weighted residual factors for all reflections included in the refinement: 0.2196
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No