Information card for entry 1564410

Structure parameters

• Formula: C40 H32 Ag2 Cd2 I6 N8
• Calculated formula: C40 H32 Ag2 Cd2 I6 N8
• SMILES: c1cccc2[n]1[Cd]13([I][Ag]4([I]1)[I][Ag]1([I][Cd]56([I]1)([n]1ccccc1c1cccc[n]51)[n]1ccccc1c1[n]6cccc1)[I]4)([n]1c2cccc1)[n]1ccccc1c1[n]3cccc1
• Title of publication: Syntheses, crystal structures, and optical properties of polymeric iodoargentates containing transition metal-complexes with aromatic ligands
• Authors of publication: Zheng, Wei; Gao, Yan; Chen, NianNian; Wu, Bing; Jia, Dingxian; Zhao, Shengxian
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 510
• Pages of publication: 119762
• a: 8.9407 ± 0.0011 Å
• b: 21.54 ± 0.003 Å
• c: 12.8687 ± 0.0016 Å
• α: 90°
• β: 94.398 ± 0.003°
• γ: 90°
• Cell volume: 2471 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0533
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.075
• Weighted residual factors for all reflections included in the refinement: 0.0787
• Goodness-of-fit parameter for all reflections included in the refinement: 1.224
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No