Information card for entry 7719250

Structure parameters

• Formula: C18 H19 Br Cu N O5
• Calculated formula: C18 H19 Br Cu N O5
• Title of publication: Nonlinear optical functionalized Cu(II) coordination complexes with chiral ligands: design, structural elucidation, and theoretical investigation.
• Authors of publication: Manurkar, Nagesh; Ilyas, Mubashar; Arshad, Faiza; Patil, Prasanna; Tariq, Qamar-Un-Nisa; Khan, Shahzad; Khan, Maroof Ahmad; Li, Hui
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 36
• Pages of publication: 13443 - 13458
• a: 10.6897 ± 0.0015 Å
• b: 27.411 ± 0.004 Å
• c: 6.6883 ± 0.0009 Å
• α: 90°
• β: 99.534 ± 0.005°
• γ: 90°
• Cell volume: 1932.7 ± 0.5 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0485
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0712
• Weighted residual factors for all reflections included in the refinement: 0.0773
• Goodness-of-fit parameter for all reflections included in the refinement: 0.925
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No