Information card for entry 1513034

Structure parameters

• Common name: Zn(II)-complex of 3-pyridin aldehyde
• Formula: C12 H10 Cl2 N2 O2 Zn
• Calculated formula: C12 H10 Cl2 N2 O2 Zn
• SMILES: [Zn](Cl)(Cl)([n]1cccc(c1)C=O)[n]1cccc(c1)C=O
• Title of publication: Ag^I^ and Zn^II^ complexes with possible application as NLO materials ‒ Crystal structures and properties
• Authors of publication: Ivanova, Bojidarka; Spiteller, Michael
• Journal of publication: Polyhedron
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 2
• Pages of publication: 241 - 245
• a: 5.8478 ± 0.0016 Å
• b: 19.156 ± 0.006 Å
• c: 12.328 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1381 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0402
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0668
• Weighted residual factors for all reflections included in the refinement: 0.07
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No