Information card for entry 4322571

Structure parameters

• Formula: C17 H17 Cl2 N5 O Zn
• Calculated formula: C17 H17 Cl2 N5 O Zn
• SMILES: [Zn]1(Cl)(Cl)([n]2c(cnc(c2)c2ncccc2)c2[n]1cccc2)[O]=CN(C)C
• Title of publication: Trinuclear Zinc(II) Complexes and Polymeric Cadmium(II) Complexes with the Ligand 2,5-Bis(2-pyridyl)pyrazine: Synthesis, Spectral Analysis, and Single-Crystal and Powder X-ray Analyses
• Authors of publication: Antonia Neels; Helen Stoeckli-Evans
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 6164 - 6170
• a: 8.654 ± 0.001 Å
• b: 9.5 ± 0.001 Å
• c: 22.997 ± 0.001 Å
• α: 90°
• β: 97.99 ± 0.01°
• γ: 90°
• Cell volume: 1872.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0925
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1177
• Weighted residual factors for all reflections included in the refinement: 0.1372
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No