Information card for entry 7062081

Structure parameters

• Formula: C34 H40 N2 O2 S2 Zn
• Calculated formula: C34 H40 N2 O2 S2 Zn
• SMILES: c1ccsc1C[N]1=Cc2cc(cc(c2O[Zn]21[N](Cc1cccs1)=Cc1cc(cc(c1O2)C(C)(C)C)C)C(C)(C)C)C
• Title of publication: Mononuclear Zn(ii) compounds supported by iminophenolate proligands binding in the bidentate (N, O) and tridentate (N, O, S) coordination mode: synthesis, characterization and polymerization studies
• Authors of publication: Roy, Sourav Singha; Sarkar, Sriparna; Antharjanam, P. K. Sudhadevi; Chakraborty, Debashis
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 2
• Pages of publication: 635 - 652
• a: 10.1752 ± 0.0004 Å
• b: 11.3986 ± 0.0004 Å
• c: 15.2282 ± 0.0005 Å
• α: 96.7636 ± 0.0015°
• β: 100.68 ± 0.0015°
• γ: 108.634 ± 0.0014°
• Cell volume: 1614.65 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0414
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.0993
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No