Information card for entry 1556601

Structure parameters

• Formula: C56 H80 N32 S8 Zn4
• Calculated formula: C56 H80 N32 S8 Zn4
• Title of publication: [2 x 2] Molecular Grids of Ni(II) and Zn(II) with Redox-Active 1,4-Pyrazine-Bis(thiosemicarbazone) Ligands
• Authors of publication: Arefyeva, N.; Sandleben, A.; Krest, A.; Baumann, U.; Schafer, M.; Kempf, M.; Klein, A.
• Journal of publication: Inorganics
• Year of publication: 2018
• Journal volume: 6
• Pages of publication: 51
• a: 19.78 ± 0.001 Å
• b: 19.78 ± 0.001 Å
• c: 20.291 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7938.8 ± 0.7 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 5
• Space group number: 97
• Hermann-Mauguin space group symbol: I 4 2 2
• Hall space group symbol: I 4 2
• Residual factor for all reflections: 0.2583
• Residual factor for significantly intense reflections: 0.1616
• Weighted residual factors for significantly intense reflections: 0.3933
• Weighted residual factors for all reflections included in the refinement: 0.4359
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No