Information card for entry 7210688

Structure parameters

• Formula: C25 H18 Br2 Hg N4
• Calculated formula: C25 H18 Br2 Hg N4
• SMILES: [Hg]1(Br)(Br)[n]2c(cc(c3ccc(n4cccn4)cc3)cc2c2ccccc2)c2[n]1cccc2
• Title of publication: Metal cation- and anion-induced assembly: structures and luminescent properties
• Authors of publication: Jin, Feng; Wang, Hui-Zhen; Zhang, Ying; Wang, Yang; Zhang, Jun; Kong, Lin; Hao, Fu-Ying; Yang, Jia-Xiang; Wu, Jie-Ying; Tian, Yu-Peng; Zhou, Hong-Ping
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 18
• Pages of publication: 3687
• a: 17.794 ± 0.005 Å
• b: 18.67 ± 0.005 Å
• c: 14.665 ± 0.005 Å
• α: 90 ± 0.005°
• β: 96.751 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 4838 ± 3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1023
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0793
• Weighted residual factors for all reflections included in the refinement: 0.1065
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No