Information card for entry 7218946

Structure parameters

• Formula: C26 H28 N4 O4 S2 Zn2
• Calculated formula: C26 H28 N4 O4 S2 Zn2
• SMILES: N(=C=S)[Zn]123[O]4CCC[C@@H]4C[N]1=Cc1c(cccc1)[O]2[Zn]12([N](=Cc4c(cccc4)[O]31)C[C@H]1[O]2CCC1)N=C=S
• Title of publication: Isothiocyanato and azido coordination induced structural diversity in zinc(ii) complexes with Schiff base containing tetrahydrofuran group: synthesis, characterization, crystal structure and fluorescence study
• Authors of publication: Mandal, Haridas; Chakrabartty, Sukanta; Ray, Debashis
• Journal of publication: RSC Adv.
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 110
• Pages of publication: 65044
• a: 6.8404 ± 0.0008 Å
• b: 21.759 ± 0.002 Å
• c: 9.8058 ± 0.0011 Å
• α: 90°
• β: 106.686 ± 0.003°
• γ: 90°
• Cell volume: 1398 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0452
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections included in the refinement: 0.0954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No