Information card for entry 4000342

Structure parameters

• Formula: C30 H20 N2 O4 Zn
• Calculated formula: C30 H20 N2 O4 Zn
• SMILES: c1ccc(cc1)c1c[n]2c(o1)c1ccccc1O[Zn]12Oc2ccccc2c2[n]1cc(o2)c1ccccc1
• Title of publication: Polymorphs and Blue Luminescence of Oligomeric Zinc (II) Complex; Zn3ppo6 [ppo ( 2((2(hydroxyphenyl)(5(phenyloxazole]
• Authors of publication: Taeshick Kim
• Journal of publication: Chemistry of Materials
• Year of publication: 2003
• a: 5.0471 ± 0.0007 Å
• b: 13.337 ± 0.001 Å
• c: 18.239 ± 0.002 Å
• α: 106.042 ± 0.008°
• β: 90.111 ± 0.006°
• γ: 90.019 ± 0.004°
• Cell volume: 1180 ± 0.3 ų
• Cell temperature: 296.1 K
• Sample thermal history: heating for about 20 min. at 340 (C
• 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 significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No