Information card for entry 1513033

Structure parameters

• Common name: Ag(I)-complex of 3-pyridin aldehyde
• Formula: C12 H10 Ag N3 O5
• Calculated formula: C12 H10 Ag N3 O5
• SMILES: [Ag]([n]1cccc(c1)C=O)[n]1cccc(C=O)c1.O=N(=O)[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: 22.541 ± 0.015 Å
• b: 7.805 ± 0.005 Å
• c: 3.786 ± 0.002 Å
• α: 90°
• β: 92.533 ± 0.019°
• γ: 90°
• Cell volume: 665.4 ± 0.7 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0772
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.1348
• Weighted residual factors for all reflections included in the refinement: 0.1417
• Goodness-of-fit parameter for all reflections included in the refinement: 0.869
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No