Information card for entry 7244474

Structure parameters

• Formula: C32 H30 N4 O6 S2 Zn
• Calculated formula: C32 H30 N4 O6 S2 Zn
• SMILES: [Zn]1(Oc2c(/C=[NH+]/c3c(OC)cccc3)cccc2OC)(Oc2c([O]1C)cccc2/C=[NH+]/c1ccccc1OC)(N=C=S)N=C=S
• Title of publication: Schiff Base Driven Denticity-Fluctuated Structural Assortment of Zinc-pseudohalide Complexes: Synthesis, Structures and Electrical Transport Properties
• Authors of publication: Mudi, Prafullya Kumar; Singla, Labhini; Chamuah, Anil; Bhattacharya, Sanjib; Roychoudhury, Angshuman; Biswas, Bhaskar
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 32.3897 ± 0.0008 Å
• b: 10.8311 ± 0.0004 Å
• c: 18.4897 ± 0.0007 Å
• α: 90°
• β: 90.591 ± 0.003°
• γ: 90°
• Cell volume: 6486.1 ± 0.4 ų
• Cell temperature: 296 ± 0.2 K
• Ambient diffraction temperature: 296 ± 0.2 K
• Number of distinct elements: 6
• 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: 0.1039
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1372
• Weighted residual factors for all reflections included in the refinement: 0.1734
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No