Information card for entry 2224223

Structure parameters

• Chemical name: Bis(2,2'-bi-1<i>H</i>-imidazole-κ^2^<i>N</i>^3^,<i>N</i>^3'^)bis(4- methylbenzoato-κ<i>O</i>)copper(II)
• Formula: C28 H26 Cu N8 O4
• Calculated formula: C28 H26 Cu N8 O4
• SMILES: [O-]C(=O)c1ccc(cc1)C.[Cu]12([n]3cc[nH]c3c3[n]1cc[nH]3)[n]1cc[nH]c1c1[n]2cc[nH]1.C(=O)(c1ccc(cc1)C)[O-]
• Title of publication: Bis(2,2'-bi-1<i>H</i>-imidazole-κ^2^<i>N</i>^3^,<i>N</i>^3'^)bis(4-methylbenzoato-κ<i>O</i>)copper(II)
• Authors of publication: Hui, Zhou
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: m1498
• a: 12.2839 ± 0.0009 Å
• b: 7.315 ± 0.0005 Å
• c: 14.9755 ± 0.0011 Å
• α: 90°
• β: 93.673 ± 0.001°
• γ: 90°
• Cell volume: 1342.89 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.074
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.0936
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes