Information card for entry 7053232

Structure parameters

• Formula: C35 H25 N3 O6 Zn
• Calculated formula: C35 H25 N3 O6 Zn
• SMILES: [Zn]12(OC(=O)c3ccccc3O)(OC(=O)c3c(O)cccc3)[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: 13.998 ± 0.002 Å
• b: 14.822 ± 0.002 Å
• c: 15.489 ± 0.002 Å
• α: 106.615 ± 0.007°
• β: 103.451 ± 0.007°
• γ: 91.595 ± 0.007°
• Cell volume: 2979.6 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0759
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1144
• Weighted residual factors for all reflections included in the refinement: 0.1328
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No