Information card for entry 7214707

Structure parameters

• Formula: C25 H18 N4
• Calculated formula: C25 H18 N4
• SMILES: c1ccccc1c1cc(cc(c2ccccn2)n1)c1ccc(cc1)n1cccn1
• 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: 11.09 ± 0.002 Å
• b: 7.422 ± 0.003 Å
• c: 22.999 ± 0.002 Å
• α: 90°
• β: 92.998 ± 0.004°
• γ: 90°
• Cell volume: 1890.5 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0702
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.0938
• Weighted residual factors for all reflections included in the refinement: 0.1164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No