Information card for entry 7210686

Structure parameters

• Formula: C52 H36 Cd N10 S2
• Calculated formula: C52 H36 Cd N10 S2
• SMILES: [Cd]12([n]3c(cc(cc3c3[n]2cccc3)c2ccc(n3cccn3)cc2)c2ccccc2)([n]2c(cc(c3ccc(n4cccn4)cc3)cc2c2[n]1cccc2)c1ccccc1)(N=C=S)N=C=S
• 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: 32.44 ± 0.005 Å
• b: 38.7 ± 0.005 Å
• c: 14.781 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 18556 ± 7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0457
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.1191
• Weighted residual factors for all reflections included in the refinement: 0.1262
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No