Information card for entry 1565297

Structure parameters

• Formula: C19 H18 Cu N8 O8
• Calculated formula: C19 H18 Cu N8 O8
• SMILES: [Cu]12([N](N3C(=O)c4ccccc4NC3c3[n]2cccc3)=C(c2[n]1cccc2)N)(ON(=O)=O)[OH2].O=N(=O)[O-]
• Title of publication: Role of non-covalent interactions to dictate chiral selective self-assembly in Ni(II), Cu(II) and Cd(II) complexes of a racemic 1,2-dihydroquinazolinone ligand
• Authors of publication: Mandal, Arkalekha; Ghosh, Subhendu; Nath, Bhaskar; Patel, Bhisma Kumar
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 503
• Pages of publication: 119399
• a: 7.5196 ± 0.0002 Å
• b: 11.3616 ± 0.0003 Å
• c: 13.2177 ± 0.0003 Å
• α: 79.327 ± 0.001°
• β: 83.058 ± 0.001°
• γ: 89.659 ± 0.001°
• Cell volume: 1101.42 ± 0.05 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0379
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0878
• Weighted residual factors for all reflections included in the refinement: 0.0925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No