Information card for entry 2240963

Structure parameters

• Chemical name: Tetrakis(μ-2,4,6-trimethylbenzoato-κ^2^<i>O</i>:<i>O</i>')bis[(nicotinamide-κ<i>N</i>^1^)copper(II)]
• Formula: C52 H56 Cu2 N4 O10
• Calculated formula: C52 H56 Cu2 N4 O10
• SMILES: [Cu]1234([Cu]([O]=C(O1)c1c(cc(cc1C)C)C)(OC(=[O]2)c1c(cc(cc1C)C)C)([O]=C(O3)c1c(cc(cc1C)C)C)(OC(=[O]4)c1c(cc(cc1C)C)C)[n]1cc(ccc1)C(=O)N)[n]1cc(ccc1)C(=O)N
• Title of publication: Crystal structure of tetrakis(μ-2,4,6-trimethylbenzoato-κ^2^<i>O</i>:<i>O</i>')bis[(nicotinamide-κ<i>N</i>^1^)copper(II)]
• Authors of publication: Aşkın, Gülçin Şefiye; Necefoğlu, Hacali; Özkaya, Safiye; Dilek, Nefise; Hökelek, Tuncer
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 8
• Pages of publication: 989 - 992
• a: 27.9186 ± 0.0007 Å
• b: 17.2843 ± 0.0005 Å
• c: 10.757 ± 0.0003 Å
• α: 90°
• β: 98.204 ± 0.002°
• γ: 90°
• Cell volume: 5137.7 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0696
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0878
• Weighted residual factors for all reflections included in the refinement: 0.0993
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes