Information card for entry 7053230

Structure parameters

• Formula: C23 H17 F6 N3 O7 S2 Zn
• Calculated formula: C23 H17 F6 N3 O7 S2 Zn
• SMILES: [Zn]12(OS(=O)(=O)C(F)(F)F)(OS(=O)(=O)C(F)(F)F)([OH2])[n]3ccccc3c3[n]1c(cc(c3)c1ccccc1)c1[n]2cccc1
• Title of publication: Synthesis, characterization, photoluminescent and thermal properties of zinc(ii) 4′-phenyl-terpyridine compounds
• Authors of publication: Ma, Zhen; Lu, Wanbing; Liang, Baohuan; Pombeiro, Armando J. L.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2013
• Journal volume: 37
• Journal issue: 5
• Pages of publication: 1529
• a: 11.0686 ± 0.0007 Å
• b: 22.0148 ± 0.0013 Å
• c: 12.9592 ± 0.0009 Å
• α: 90°
• β: 117.908 ± 0.004°
• γ: 90°
• Cell volume: 2790.6 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• 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: 0.048
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.1046
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No