Information card for entry 7101601

Structure parameters

• Formula: C36 H48 Ag4 N20 O15
• Calculated formula: C36 H48 Ag4 N20 O15
• SMILES: Cc1[n]2ccn1Cn1c(C)[n](cc1)[Ag][n]1c(C)n(Cn3c(C)[n](cc3)[Ag][n]3c(C)n(cc3)Cn3c(C)[n](cc3)[Ag][n]3c(C)n(Cn4c(C)[n]([Ag]2)cc4)cc3)cc1.N(=O)(=O)[O-].N(=O)(=O)[O-].O.N(=O)(=O)[O-].N(=O)(=O)[O-].O
• Title of publication: A New Infinite Inorganic [n]Catenane From Silver and Bis(2-methylimidazolyl)methane Ligand
• Authors of publication: Chuan-Ming Jin; Jing Huang; Huan Lu; Ling-Yan Wu
• Journal of publication: Chemical Communications
• Year of publication: 2006
• Journal issue: 48
• a: 20.913 ± 0.002 Å
• b: 14.8336 ± 0.0015 Å
• c: 18.2903 ± 0.0019 Å
• α: 90°
• β: 118.808 ± 0.002°
• γ: 90°
• Cell volume: 4971.6 ± 0.9 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.1025
• Residual factor for significantly intense reflections: 0.0769
• Weighted residual factors for significantly intense reflections: 0.2123
• Weighted residual factors for all reflections included in the refinement: 0.2341
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No