Information card for entry 4507661

Structure parameters

• Formula: C50 H52 Ag2 N6 O8 S2
• Calculated formula: C50 H52 Ag2 N6 O8 S2
• SMILES: c1c2ccc[n]1[Ag](OS(=O)(=O)c1ccc(cc1)C)([OH2])[N]#CC(=C1C=C(/C=C/c3c[n](ccc3)[Ag]([N]#CC(=C3C=C(/C=C/2)CC(C)(C)C3)C#N)(OS(=O)(=O)c2ccc(cc2)C)[OH2])CC(C)(C)C1)C#N
• Title of publication: Diverse Structural Ag(I) Supramolecular Complexes Constructed from Multidentate Dicyanoisophorone-Based Ligands: Structures and Enhanced Luminescence
• Authors of publication: Jin, Feng; Zhang, Ying; Wang, Hui-Zhen; Zhu, Hui-Zhi; Yan, Yan; Zhang, Jun; Wu, Jie-Ying; Tian, Yu-Peng; Zhou, Hong-Ping
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 5
• Pages of publication: 1978
• a: 9.106 ± 0.005 Å
• b: 9.342 ± 0.005 Å
• c: 16.542 ± 0.005 Å
• α: 81.937 ± 0.005°
• β: 89.035 ± 0.005°
• γ: 63.45 ± 0.005°
• Cell volume: 1244.7 ± 1 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0555
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1347
• Weighted residual factors for all reflections included in the refinement: 0.1502
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No