Information card for entry 7224389

Structure parameters

• Formula: C29 H36 N6 S2 Zn
• Calculated formula: C29 H36 N6 S2 Zn
• SMILES: c1(ccc(cc1)/C=C/C=[N]1CC(C[N](=C/C=C/c2ccc(cc2)N(C)C)[Zn]1(N=C=S)N=C=S)(C)C)N(C)C
• Title of publication: Crystal structure, Hirshfeld surface analyses and thermal behavior of two new rare tetrahedral terminal zinc(II) azide and thiocyanate Schiff base complexes
• Authors of publication: Montazerozohori, Morteza; Farokhiani, Sara; Masoudiasl, Ardavan; White, Jonathan M.
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 10.4823 ± 0.0003 Å
• b: 11.2379 ± 0.0004 Å
• c: 14.4174 ± 0.0005 Å
• α: 71.223 ± 0.003°
• β: 84.65 ± 0.003°
• γ: 71.987 ± 0.003°
• Cell volume: 1529.12 ± 0.1 ų
• Cell temperature: 130 ± 0.1 K
• Ambient diffraction temperature: 130 ± 0.1 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: 0.0563
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1177
• Weighted residual factors for all reflections included in the refinement: 0.1247
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No