Information card for entry 7056938

Structure parameters

• Formula: C36 H37 Cl4 Cu K2 N4 Ni2 O8.5
• Calculated formula: C36 H36 Cl4 Cu K2 N4 Ni2 O8.5
• Title of publication: Reactions of a series of ZnL, CuL and NiL Schiff base and non-Schiff base complexes with MCl2 salts (M = Cu, Ni, Mn): syntheses, structures, magnetic properties and DFT calculations
• Authors of publication: Costes, Jean-Pierre; Duhayon, Carine; Vendier, Laure; Mota, Antonio J.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 5
• Pages of publication: 3683
• a: 24.927 ± 0.005 Å
• b: 47.25 ± 0.01 Å
• c: 14.055 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 16554 ± 6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0404
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for all reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.0345
• Weighted residual factors for all reflections included in the refinement: 0.0342
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No