Information card for entry 7109877

Structure parameters

• Formula: C26 H22 Br2 N2 Zn
• Calculated formula: C26 H22 Br2 N2 Zn
• Title of publication: Thermally reversible single-crystal to single-crystal transformation of mononuclear to dinuclear Zn(II) complexes by [2+2] cycloaddition reaction
• Authors of publication: Raghavender Medishetty; Terence Teck Sheng Yap; Lip Lin Koh; Jagadese J. Vittal
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 9567
• a: 9.4853 ± 0.0005 Å
• b: 12.9621 ± 0.0006 Å
• c: 19.1602 ± 0.0009 Å
• α: 90°
• β: 90.917 ± 0.001°
• γ: 90°
• Cell volume: 2355.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0367
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0703
• Weighted residual factors for all reflections included in the refinement: 0.0729
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No