Information card for entry 2223987

Structure parameters

• Chemical name: Dibenzoato-κ<i>O</i>;κ^2^<i>O</i>,<i>O</i>'-(6,6'-dimethyl-2,2'-bipyridine- κ^2^<i>N</i>,<i>N</i>')zinc(II)‒benzoic acid (1/1)
• Formula: C33 H28 N2 O6 Zn
• Calculated formula: C33 H28 N2 O6 Zn
• SMILES: [Zn]12([n]3c(C)cccc3c3[n]1c(ccc3)C)([O]=C(O2)c1ccccc1)OC(=O)c1ccccc1.O=C(O)c1ccccc1
• Title of publication: Dibenzoato-κ<i>O</i>;κ^2^<i>O</i>,<i>O</i>'-(6,6'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')zinc(II)‒benzoic acid (1/1)
• Authors of publication: Yao, Li; Li, Wen-Juan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: m1408
• a: 9.974 ± 0.006 Å
• b: 12.546 ± 0.007 Å
• c: 12.798 ± 0.008 Å
• α: 96.631 ± 0.011°
• β: 97.016 ± 0.012°
• γ: 105.06 ± 0.012°
• Cell volume: 1516.7 ± 1.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1229
• Residual factor for significantly intense reflections: 0.0649
• Weighted residual factors for significantly intense reflections: 0.1269
• Weighted residual factors for all reflections included in the refinement: 0.1364
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes