Information card for entry 7207839

Structure parameters

• Formula: C18 H18 Ag I3 N2
• Calculated formula: C18 H18 Ag I3 N2
• SMILES: I[Ag]([I-])[I-].[n+]1(ccccc1)Cc1ccc(cc1)C[n+]1ccccc1
• Title of publication: Role of cooperative templates in the self-assembly process of microporous structures: syntheses and characterization of 12 new silver halide/thiocyanate supramolecular polymers
• Authors of publication: Qiao, Yong-Zhen; Fu, Wen-Zhen; Yue, Jun-Ming; Liu, Xiu-Cun; Niu, Yun-Yin; Hou, Hong-Wei
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 9
• Pages of publication: 3241
• a: 12.653 ± 0.003 Å
• b: 13.229 ± 0.003 Å
• c: 26.039 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4358.6 ± 1.7 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0521
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0553
• Weighted residual factors for all reflections included in the refinement: 0.0596
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No