Information card for entry 2311883

Structure parameters

• Chemical name: Bis(3-{[(3-hydroxypropyl)imino]methyl}-4-nitrophenolato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')copper(II)
• Formula: C20 H22 Cu N4 O8
• Calculated formula: C20 H22 Cu N4 O8
• SMILES: C(CC[N]1=Cc2cc(ccc2O[Cu]21Oc1ccc(N(=O)=O)cc1C=[N]2CCCO)N(=O)=O)O
• Title of publication: Crystal structure and photoluminescence properties of a new monomeric copper(II) complex: bis(3-{[(3-hydroxypropyl)imino]methyl}-4-nitrophenolato-κ³O,N,O')copper(II).
• Authors of publication: Kocak, Cagdas; Oylumluoglu, Gorkem; Donmez, Adem; Coban, M. Burak; Erkarslan, Ugur; Aygun, Muhittin; Kara, Hulya
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2017
• Journal volume: 73
• Journal issue: Pt 5
• Pages of publication: 414 - 419
• a: 10.5788 ± 0.0011 Å
• b: 6.2806 ± 0.0005 Å
• c: 15.8478 ± 0.0019 Å
• α: 90°
• β: 105.272 ± 0.012°
• γ: 90°
• Cell volume: 1015.76 ± 0.19 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 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: 0.0943
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1017
• Weighted residual factors for all reflections included in the refinement: 0.1203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No