Information card for entry 7053233

Structure parameters

• Formula: C35 H25 N3 O6 Zn
• Calculated formula: C35 H25 N3 O6 Zn
• SMILES: c1cccc2c3cc(c4ccccc4)cc4[n]3[Zn]([n]12)(OC(=O)c1cccc(O)c1)([n]1ccccc41)OC(=O)c1cccc(O)c1
• 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: 16.503 ± 0.003 Å
• b: 17.021 ± 0.003 Å
• c: 10.663 ± 0.002 Å
• α: 90°
• β: 99.67 ± 0.03°
• γ: 90°
• Cell volume: 2952.7 ± 1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.038
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.0943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No