Information card for entry 7063686

Structure parameters

• Chemical name: nagash
• Formula: C12 H17 Cu N2 O6.5
• Calculated formula: C12 H17 Cu N2 O6.5
• Title of publication: Exploring the first and second hyperpolarizabilities of l-glutamine-based Schiff base ligands and their Cu(ii) coordination complexes
• Authors of publication: Manurkar, Nagesh; Ilyas, Mubashar; Arshad, Faiza; Patil, Prasanna; Shah, Haroon; Khan, Maroof Ahmad; Hussain, Wajid; Li, Hui
• Journal of publication: New Journal of Chemistry
• Year of publication: 2025
• Journal volume: 49
• Journal issue: 13
• Pages of publication: 5200 - 5212
• a: 24.1267 ± 0.0013 Å
• b: 11.1271 ± 0.0005 Å
• c: 11.7481 ± 0.0006 Å
• α: 90°
• β: 117.052 ± 0.002°
• γ: 90°
• Cell volume: 2808.8 ± 0.2 ų
• Cell temperature: 297.61 K
• Ambient diffraction temperature: 297.61 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0263
• Residual factor for significantly intense reflections: 0.0224
• Weighted residual factors for significantly intense reflections: 0.0607
• Weighted residual factors for all reflections included in the refinement: 0.0625
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No