Information card for entry 7120323

Structure parameters

• Formula: C35 H32 Cl2 N4 O4 Zn
• Calculated formula: C35 H34 Cl2 N4 O4 Zn
• SMILES: c1cccc2[n]1[Zn]1([n]3c2cc(cc3c2cccc[n]12)c1ccc(N(CC(=O)OCC)CC(=O)OCC)cc1)(Cl)Cl.c1ccccc1
• Title of publication: Halides Tuning Subcellular-Targeting in Two-Photon Emissive Complexes via Different Uptake Mechanisms
• Authors of publication: Tian, Xiaohe; Zhu, Yingzhong; Zhang, Qiong; Zhang, Ruilong; Wu, Jieying; Tian, Yupeng
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 22.302 ± 0.005 Å
• b: 15.922 ± 0.005 Å
• c: 10.848 ± 0.005 Å
• α: 90 ± 0.005°
• β: 108.945 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 3643 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0838
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.137
• Weighted residual factors for all reflections included in the refinement: 0.1775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No