Information card for entry 4304107

Structure parameters

• Common name: [Ni(3-MeOtsalamo)]
• Formula: C18 H18 N2 Ni O4 S2
• Calculated formula: C18 H18 N2 Ni O4 S2
• SMILES: [Ni]123Sc4c(cccc4OC)C=[N]1OCCO[N]2=Cc1c(c(ccc1)OC)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: 8.243 ± 0.003 Å
• b: 15.427 ± 0.006 Å
• c: 14.466 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1839.6 ± 1.2 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0209
• Residual factor for significantly intense reflections: 0.0202
• Weighted residual factors for significantly intense reflections: 0.0476
• Weighted residual factors for all reflections included in the refinement: 0.0481
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No