Information card for entry 7225529

Structure parameters

• Formula: C22 H26 Cu N2 O4
• Calculated formula: C22 H26 Cu N2 O4
• SMILES: [Cu]123(Oc4c(C=[N]2CCC[N]23CCOCC2)cccc4)[O]=C(O1)c1ccc(cc1)C
• Title of publication: Synthesis, crystal structure, DFT / TDDFT calculation, photophysical properties and DNA binding studies of morpholino moiety ligand based two Cu(II) complexes in combination with carboxylates
• Authors of publication: Paul, Aparup; Mistri, Soumen; Bhunia, Apurba; Manna, Soumen; Puschmann, Horst; Manna, Subal Chandra
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 10.7277 ± 0.0003 Å
• b: 19.7595 ± 0.0004 Å
• c: 10.9426 ± 0.0003 Å
• α: 90°
• β: 115.971 ± 0.004°
• γ: 90°
• Cell volume: 2085.31 ± 0.12 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0482
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.078
• Weighted residual factors for all reflections included in the refinement: 0.085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No