Information card for entry 7109881

Structure parameters

• Formula: C52 H40 Br4 F4 N4 Zn2
• Calculated formula: C52 H40 Br4 F4 N4 Zn2
• 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: 9.6691 ± 0.0015 Å
• b: 13.252 ± 0.002 Å
• c: 19.137 ± 0.003 Å
• α: 90°
• β: 92.175 ± 0.004°
• γ: 90°
• Cell volume: 2450.4 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.1483
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.1478
• Weighted residual factors for all reflections included in the refinement: 0.1857
• Goodness-of-fit parameter for all reflections included in the refinement: 0.943
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No