Information card for entry 2238451

Structure parameters

• Chemical name: Tetrakis(μ-3-chlorobenzoato-κ^2^<i>O</i>:<i>O</i>')bis[(<i>N</i>,<i>N</i>-diethylnicotinamide-κ<i>N</i>^1^)copper(II)]
• Formula: C48 H44 Cl4 Cu2 N4 O10
• Calculated formula: C48 H44 Cl4 Cu2 N4 O10
• SMILES: C1(c2cc(ccc2)Cl)=[O][Cu]234([n]5cc(ccc5)C(=O)N(CC)CC)[O]=C(c5cc(ccc5)Cl)O[Cu]4(O1)([n]1cc(ccc1)C(=O)N(CC)CC)([O]=C(c1cc(ccc1)Cl)O3)[O]=C(c1cc(ccc1)Cl)O2
• Title of publication: Tetrakis(μ-3-chlorobenzoato-κ^2^<i>O</i>:<i>O</i>')bis[(<i>N</i>,<i>N</i>-diethylnicotinamide-κ<i>N</i>^1^)copper(II)]
• Authors of publication: Bozkurt, Nihat; Tunç, Tuncay; Çaylak Delibaş, Nagihan; Necefoğlu, Hacali; Hökelek, Tuncer
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 8
• Pages of publication: m431 - m432
• a: 12.6077 ± 0.0004 Å
• b: 16.7569 ± 0.0005 Å
• c: 12.1402 ± 0.0004 Å
• α: 90°
• β: 99.647 ± 0.002°
• γ: 90°
• Cell volume: 2528.54 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0336
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0811
• Weighted residual factors for all reflections included in the refinement: 0.0829
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes