Information card for entry 7238892

Structure parameters

• Formula: C20 H15 Cl2 N7 S4 Zn
• Calculated formula: C20 H15 Cl2 N7 S4 Zn
• Title of publication: Tetrathiafulvalene-s-tetrazine: versatile platform for donor‒acceptor systems and multifunctional ligands
• Authors of publication: Pop, Flavia; Ding, Jie; Daku, Latévi Max Lawson; Hauser, Andreas; Avarvari, Narcis
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 10
• Pages of publication: 3218
• a: 8.7852 ± 0.0017 Å
• b: 9.2555 ± 0.0014 Å
• c: 16.386 ± 0.004 Å
• α: 74.976 ± 0.017°
• β: 88.387 ± 0.014°
• γ: 72.238 ± 0.014°
• Cell volume: 1223.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0952
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.0923
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No