Information card for entry 7214709

Structure parameters

• Formula: C50 H36 Ag2 Cl2 N8 O8
• Calculated formula: C50 H36 Ag2 Cl2 N8 O8
• SMILES: c1[n]2[Ag]3[n]4c(c2ccc1)cc(cc4c1ccccc1)c1ccc(n2[n]([Ag]4[n]5ccccc5c5cc(cc([n]45)c4ccccc4)c4ccc(n5[n]3ccc5)cc4)ccc2)cc1.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• Title of publication: Role of anions in preparing silver(i) complexes with a new multidentate ligand: polymorphs, structures and nonlinear optical properties
• Authors of publication: Jin, Feng; Yang, Xiao-Fei; Li, Sheng-Li; Zheng, Zheng; Yu, Zhi-Peng; Kong, Lin; Hao, Fu-Ying; Yang, Jia-Xiang; Wu, Jie-Ying; Tian, Yu-Peng; Zhou, Hong-Ping
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 24
• Pages of publication: 8409
• a: 16.667 ± 0.005 Å
• b: 22.086 ± 0.005 Å
• c: 14.712 ± 0.005 Å
• α: 90 ± 0.005°
• β: 119.395 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 4718 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1095
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.0839
• Weighted residual factors for all reflections included in the refinement: 0.1078
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No