Information card for entry 7024590

Structure parameters

• Formula: C27 H26 N4 O7 Zn
• Calculated formula: C27 H26 N4 O7 Zn
• SMILES: [Zn]12(OC(=O)c3ccccc3)([n]3ccccc3C=[N]1O)([n]1ccccc1C=[N]2O)OC(=O)c1ccccc1.OC
• Title of publication: A tetrahedron in a cube: a dodecanuclear Zn(II) benzoate cluster from the use of 2-pyridinealdoxime.
• Authors of publication: Konidaris, Konstantis F.; Katsoulakou, Eugenia; Kaplanis, Michalis; Bekiari, Vlasoula; Terzis, Aris; Raptopoulou, Catherine P.; Manessi-Zoupa, Evy; Perlepes, Spyros P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 19
• Pages of publication: 4492 - 4494
• a: 9.6176 ± 0.0001 Å
• b: 9.7633 ± 0.0001 Å
• c: 15.0878 ± 0.0001 Å
• α: 81.2177 ± 0.001°
• β: 82.055 ± 0.001°
• γ: 73.159 ± 0.001°
• Cell volume: 1333.45 ± 0.02 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.0328
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.0766
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No