Information card for entry 7060417

Structure parameters

• Common name: tpyZn
• Formula: C40 H32 N10 O8 Zn
• Calculated formula: C40 H32 N10 O8 Zn
• SMILES: [Zn]1234([n]5ccccc5c5cc(cc(c6cccc[n]26)[n]15)c1ccncc1)[n]1ccccc1c1cc(cc(c2cccc[n]42)[n]31)c1ccncc1.N(=O)(=O)[O-].N(=O)(=O)[O-].O.O
• Title of publication: Self-assembled heterometallic complexes showing enhanced two-photon absorption and their distribution in living cells
• Authors of publication: Jiang, Qin; Yang, Xinda; Xiang, Pan; Dudek, Marta; Matczyszyn, Katarzyna; Samoc, Marek; Tian, Xiaohe; Zhang, Qiong; Luo, Yuhui; Wang, Daqi; Shi, Pengfei
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 11
• Pages of publication: 4994 - 5001
• a: 9.125 ± 0.002 Å
• b: 9.125 ± 0.002 Å
• c: 44.906 ± 0.012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3739.1 ± 1.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 78
• Hermann-Mauguin space group symbol: P 43
• Hall space group symbol: P 4cw
• Residual factor for all reflections: 0.0458
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0875
• Weighted residual factors for all reflections included in the refinement: 0.0906
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No