Information card for entry 4304106

Structure parameters

• Common name: [Ni(tsalamo)]
• Formula: C16 H14 N2 Ni O2 S2
• Calculated formula: C16 H14 N2 Ni O2 S2
• SMILES: [Ni]123Sc4c(cccc4)C=[N]1OCCO[N]2=Cc1c(cccc1)S3
• Title of publication: Synthesis, Stability, and Complexation Behavior of Isolable Salen-Type N2S2 and N2SO Ligands Based on Thiol and Oxime Functionalities
• Authors of publication: Shigehisa Akine; Ayako Akimoto; Takuya Shiga; Hiroki Oshio; Tatsuya Nabeshima
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 875 - 885
• a: 8.0198 ± 0.0007 Å
• b: 19.6504 ± 0.0014 Å
• c: 9.8681 ± 0.0007 Å
• α: 90°
• β: 94.882 ± 0.003°
• γ: 90°
• Cell volume: 1549.5 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0469
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1112
• Weighted residual factors for all reflections included in the refinement: 0.1136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No