Information card for entry 7224390

Structure parameters

• Formula: C27 H36 N10 Zn
• Calculated formula: C27 H36 N10 Zn
• SMILES: c1(ccc(cc1)/C=C/C=[N]1CC(C[N](=C/C=C/c2ccc(cc2)N(C)C)[Zn]1(N=N#N)N=N#N)(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: 22.0206 ± 0.0007 Å
• b: 10.0698 ± 0.0003 Å
• c: 26.9816 ± 0.0009 Å
• α: 90°
• β: 105.807 ± 0.003°
• γ: 90°
• Cell volume: 5756.7 ± 0.3 ų
• Cell temperature: 130 ± 0.1 K
• Ambient diffraction temperature: 130 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0857
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1242
• Weighted residual factors for all reflections included in the refinement: 0.1404
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No