Information card for entry 4304108

Structure parameters

• Common name: [L2(LH)2Ni4(OAc)2](MeCN)
• Formula: C42 H47 N5 Ni4 O16
• Calculated formula: C42 H47 N5 Ni4 O16
• SMILES: [Ni]12345[O]=C(C)O[Ni]6789[N](=Cc%10c(O8)cccc%10)OCC[O]59[Ni]589%10[O]=C(C)O[Ni]%11%12([O]17c1c(cccc1)C=[N]2OCCO3)([O]45c1c(cccc1)C=[N]%11OCCO%12)[O]6%10CCO[N]9=Cc1c(cccc1)O8.N#CC
• 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: 10.914 ± 0.003 Å
• b: 24.008 ± 0.007 Å
• c: 16.826 ± 0.005 Å
• α: 90°
• β: 90.773 ± 0.012°
• γ: 90°
• Cell volume: 4408 ± 2 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0864
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1122
• Weighted residual factors for all reflections included in the refinement: 0.1305
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No