Information card for entry 7024589

Structure parameters

• Formula: C140 H114 N10 O42 Zn12
• Calculated formula: C140 H100 N10 O42 Zn12
• 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: 34.71 ± 0.01 Å
• b: 34.71 ± 0.01 Å
• c: 14.862 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 17906 ± 10 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :1
• Hall space group symbol: I 4bw -1bw
• Residual factor for all reflections: 0.1144
• Residual factor for significantly intense reflections: 0.075
• Weighted residual factors for significantly intense reflections: 0.2053
• Weighted residual factors for all reflections included in the refinement: 0.2441
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No