Information card for entry 7214937

Structure parameters

• Formula: C14 H16 N2 O5
• Calculated formula: C14 H16 N2 O5
• SMILES: O=C(Nc1ccncc1)c1ccc(cc1)C(=O)OC.O.O
• Title of publication: Diverse Ag(i) complexes constructed from asymmetric pyridyl and pyrimidyl amide ligands: roles of Ag⋯Ag and π‒π interactions
• Authors of publication: Hsiao, Hui-Lin; Wu, Chia-Jun; Hsu, Wayne; Yeh, Chun-Wei; Xie, Ming-Yuan; Huang, Wun-Jhih; Chen, Jhy-Der
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 23
• Pages of publication: 8143
• a: 7.2328 ± 0.0004 Å
• b: 11.2111 ± 0.0005 Å
• c: 17.3601 ± 0.0007 Å
• α: 90°
• β: 98.222 ± 0.003°
• γ: 90°
• Cell volume: 1393.22 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.1092
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.0996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No