Information card for entry 2243290

Structure parameters

• Chemical name: Dichorido{<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''-[pyrazine-2,3,5,6-tetrayltetrakis(methylene)]tetrakis(<i>N</i>-methylaniline)-κ^3^<i>N</i>^2^,<i>N</i>^1^,<i>N</i>^6^}zinc(II) dichloromethane 0.6-solvate
• Formula: C36.6 H41.2 Cl3.2 N6 Zn
• Calculated formula: C36.6 H41.2 Cl3.2 N6 Zn
• Title of publication: The crystal structures and Hirshfeld surface analyses of a cadmium(II) and a zinc(II) mononuclear complex of the new tetrakis-substituted pyrazine ligand <i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''-[pyrazine-2,3,5,6-tetrayltetrakis(methylene)]tetrakis(<i>N</i>-methylaniline)
• Authors of publication: Tesouro Vallina, Ana; Stoeckli-Evans, Helen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 3
• Pages of publication: 410 - 416
• a: 11.9196 ± 0.0008 Å
• b: 12.1208 ± 0.0008 Å
• c: 13.919 ± 0.001 Å
• α: 98.222 ± 0.008°
• β: 100.313 ± 0.008°
• γ: 107.58 ± 0.007°
• Cell volume: 1843.9 ± 0.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0961
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1041
• Weighted residual factors for all reflections included in the refinement: 0.1172
• Goodness-of-fit parameter for all reflections included in the refinement: 0.785
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes