Information card for entry 7244473

Structure parameters

• Formula: C30 H28 N8 O6 Zn2
• Calculated formula: C30 H28 N8 O6 Zn2
• SMILES: [Zn]1234[O]([Zn]([O]2c2c(C=[N]4c4c([O]1C)cccc4)cccc2OC)(N=N#N)N=N#N)c1c(C=[N]3c2c(OC)cccc2)cccc1OC
• 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: 15.9766 ± 0.0002 Å
• b: 16.842 ± 0.0003 Å
• c: 22.9222 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6167.86 ± 0.17 ų
• Cell temperature: 298 ± 0.2 K
• Ambient diffraction temperature: 298 ± 0.2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0847
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1168
• Weighted residual factors for all reflections included in the refinement: 0.1419
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No