Information card for entry 1564211

Structure parameters

• Formula: C19 H15 N5 O
• Calculated formula: C19 H15 N5 O
• SMILES: O=C1N(/N=C/c2cnccc2)C(Nc2c1cccc2)c1cnccc1
• Title of publication: Self-discriminating and counteranion-controlled self-assembly: Two heterochiral Cd(II) coordination polymers based on a racemic bis(pyridyl) ligand
• Authors of publication: Liu, Yong-Jie; Chen, Ya-Ting; Chen, Ming-Zhao; Mo, Xing-Jun; Huang, Chao; Chen, Dong-Mei; Zhu, Bi-Xue
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 510
• Pages of publication: 119702
• a: 8.162 ± 0.005 Å
• b: 16.225 ± 0.01 Å
• c: 12.259 ± 0.007 Å
• α: 90°
• β: 101.335 ± 0.019°
• γ: 90°
• Cell volume: 1591.8 ± 1.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• 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: 0.1202
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1319
• Weighted residual factors for all reflections included in the refinement: 0.1481
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No