Information card for entry 1564468

Structure parameters

• Formula: C17 H16 Cu N4 O9
• Calculated formula: C17 H16 Cu N4 O9
• SMILES: c12ccc(cc1C=[N]1[Cu]3([N](=Cc4cc(ccc4O3)N(=O)=O)OCCO1)O2)N(=O)=O.CO
• Title of publication: Two novel copper(II) salamo-based complexes: Syntheses, X-ray crystal structures, spectroscopic properties and Hirshfeld surfaces analyses
• Authors of publication: Yu, Meng; Zhang, Yu; Pan, Ying-Qi; Wang, Li
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 509
• Pages of publication: 119701
• a: 13.5463 ± 0.0011 Å
• b: 24.841 ± 0.002 Å
• c: 11.6264 ± 0.0009 Å
• α: 90°
• β: 107.709 ± 0.002°
• γ: 90°
• Cell volume: 3726.9 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 5
• 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: 0.1063
• Residual factor for significantly intense reflections: 0.0682
• Weighted residual factors for significantly intense reflections: 0.1242
• Weighted residual factors for all reflections included in the refinement: 0.1401
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No