Information card for entry 2225410

Structure parameters

• Chemical name: Tetrakis(μ-4-methylbenzoato-κ^2^<i>O</i>:<i>O</i>')bis[(isonicotinamide- κ<i>N</i>)copper(II)]
• Formula: C44 H40 Cu2 N4 O10
• Calculated formula: C44 H40 Cu2 N4 O10
• SMILES: [n]1(ccc(cc1)C(=O)N)[Cu]1234[O]=C(c5ccc(cc5)C)O[Cu]4([n]4ccc(cc4)C(=O)N)([O]=C(c4ccc(cc4)C)O1)(OC(=[O]3)c1ccc(cc1)C)[O]=C(O2)c1ccc(cc1)C
• Title of publication: Tetrakis(μ-4-methylbenzoato-κ^2^<i>O</i>:<i>O</i>')bis[(isonicotinamide-κ<i>N</i>)copper(II)]
• Authors of publication: Necefoğlu, Hacali; Çimen, Efdal; Tercan, Barış; Dal, Hakan; Hökelek, Tuncer
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: m334 - m335
• a: 11.2305 ± 0.0002 Å
• b: 23.4691 ± 0.0004 Å
• c: 8.0087 ± 0.0001 Å
• α: 90°
• β: 102.128 ± 0.001°
• γ: 90°
• Cell volume: 2063.74 ± 0.06 ų
• Cell temperature: 101 ± 2 K
• Ambient diffraction temperature: 101 ± 2 K
• Number of distinct elements: 5
• 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: 0.0787
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.0762
• Weighted residual factors for all reflections included in the refinement: 0.0868
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes