Information card for entry 7054884

Structure parameters

• Formula: C45 H33 Cl6 N9 Zn3
• Calculated formula: C45 H33 Cl6 N9 Zn3
• SMILES: c12ccccc1[n]1c(c3cccc[n]3[Zn]1(Cl)Cl)n2Cc1cc(Cn2c3ccccc3[n]3c2c2cccc[n]2[Zn]3(Cl)Cl)cc(Cn2c3ccccc3[n]3c2c2cccc[n]2[Zn]3(Cl)Cl)c1
• Title of publication: Photoluminescent and cytotoxic properties of multinuclear complexes and multinuclear-based polymers with group 12 metals and a tripodal ligand
• Authors of publication: Zhao, Jin'an; Peng, Kun; Guo, Yan; Zhang, Jin; Chen, Shufang; Hu, Jiyong
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 8
• Pages of publication: 6016
• a: 18.1422 ± 0.0004 Å
• b: 18.1422 ± 0.0004 Å
• c: 25.8426 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7366.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0608
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1505
• Weighted residual factors for all reflections included in the refinement: 0.1574
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No