Information card for entry 7053231

Structure parameters

• Formula: C36 H29 N3 O7 Zn
• Calculated formula: C36 H29 N3 O7 Zn
• SMILES: [Zn]12(OC(=O)c3ccc(O)cc3)(OC(=O)c3ccc(O)cc3)[n]3ccccc3c3[n]1c(cc(c3)c1ccccc1)c1[n]2cccc1.OC
• 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: 13.007 ± 0.003 Å
• b: 9.863 ± 0.002 Å
• c: 26.388 ± 0.008 Å
• α: 90°
• β: 110.93 ± 0.03°
• γ: 90°
• Cell volume: 3161.9 ± 1.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0624
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1048
• Weighted residual factors for all reflections included in the refinement: 0.1224
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No