Information card for entry 7015296

Structure parameters

• Formula: C14 H19 N3 O8 Zn
• Calculated formula: C14 H19 N3 O8 Zn
• SMILES: c12c(ccc(c1)N(=O)=O)[N]1=NC3=C(CC(CC3=O)(C)C)O[Zn]1(O2)([OH2])[OH2].O
• Title of publication: Zinc(ii) ortho-hydroxyphenylhydrazo-β-diketonate complexes and their catalytic ability towards diastereoselective nitroaldol (Henry) reaction.
• Authors of publication: Kopylovich, Maximilian N.; Mac Leod, Tatiana C. O.; Mahmudov, Kamran T.; Guedes da Silva, M Fátima C; Pombeiro, Armando J. L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 19
• Pages of publication: 5352 - 5361
• a: 6.5844 ± 0.0011 Å
• b: 15.743 ± 0.003 Å
• c: 16.287 ± 0.003 Å
• α: 90°
• β: 96.006 ± 0.01°
• γ: 90°
• Cell volume: 1679 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.2334
• Residual factor for significantly intense reflections: 0.1032
• Weighted residual factors for significantly intense reflections: 0.2737
• Weighted residual factors for all reflections included in the refinement: 0.3351
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No