Information card for entry 7051274

Structure parameters

• Formula: C32 H28 N4 Ni O2 S4
• Calculated formula: C32 H28 N4 Ni O2 S4
• SMILES: [Ni]123SC(SCc4ccccc4)=N[N]2=Cc2ccccc2OCCOc2ccccc2C=[N]3N=C(S1)SCc1ccccc1
• Title of publication: Crystal structures, molecular packing and picosecond optical limiting properties of quadridentate Schiff base divalent metal complexes derived from S-benzyl dithiocarbazate
• Authors of publication: Zhu, Xu-Hui; Chen, Xiao-Feng; Zhang, Yong; You, Xiao-Zeng; Tan, Wei-Lian; Ji, Wei; Vittal, Jaganese J.; Tan, Goek-Kheng; Kennard, Colin H. L.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2000
• Journal volume: 24
• Journal issue: 6
• Pages of publication: 419
• a: 10.778 ± 0.002 Å
• b: 11.882 ± 0.002 Å
• c: 13.83 ± 0.002 Å
• α: 81.079 ± 0.013°
• β: 89.136 ± 0.014°
• γ: 64.835 ± 0.014°
• Cell volume: 1581.1 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0639
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for all reflections: 0.1596
• Weighted residual factors for significantly intense reflections: 0.1477
• Goodness-of-fit parameter for all reflections: 1.071
• Goodness-of-fit parameter for significantly intense reflections: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No