Information card for entry 7214345

Structure parameters

• Formula: C80 H80 Ag2 Cl2 N16 O8
• Calculated formula: C80 H80 Ag2 Cl2 N16 O8
• SMILES: C1C[N]2(CC[N]3([Ag]452[N]1(CC[N]4(Cc1ccc(cc1)C#[N][Ag]124[N]6(CC[N]1(CC[N]2(CC[N]4(CC6)Cc1ccc(cc1)C#[N]5)Cc1ccc(cc1)C#N)Cc1ccc(cc1)C#N)Cc1ccc(cc1)C#N)CC3)Cc1ccc(cc1)C#N)Cc1ccc(cc1)C#N)Cc1ccc(cc1)C#N.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• Title of publication: Self-assembly of discrete and polymeric metallosupramolecular architectures from cyclen-derived ligands
• Authors of publication: Hawes, Chris S.; Batten, Stuart R.; Turner, David R.
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 18
• Pages of publication: 3737
• a: 9.362 ± 0.0019 Å
• b: 15.871 ± 0.003 Å
• c: 25.586 ± 0.005 Å
• α: 90°
• β: 96.64 ± 0.03°
• γ: 90°
• Cell volume: 3776.2 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0476
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.1136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.7108 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No