Information card for entry 7244370

Structure parameters

• Formula: C26 H26 Co N8 O44 Si W12
• Calculated formula: C26 H26 Co N8 O44 Si W12
• SMILES: [W]1234(O[W]567(O[W]89(O[W]%10%11%12(O[W]%13%14(O[W]%15%16(O%10)(O[W]%10%17%18(O[W]%19(O[W]%20(O%10)(O5)(O[W]5%10(O6)(O[W]6(O[W](O%17)(O%15)(O5)([O]%16%18[Si]([O]7%20%10)([O]9%126)[O]4%14%19)=O)(O8)(O%11)=O)=O)=O)(O1)(O%13)=O)=O)=O)(O2)=O)=O)(O3)=O)=O)=O.[Co]12([O]=C(Nc3c4ccc[nH+]c4ccc3)c3[n]1c[nH]c3)([O]=C(Nc1c3ccc[nH+]c3ccc1)c1[n]2c[nH]c1)([OH2])[OH2]
• Title of publication: Various amide derivatives induced Keggin-type SiW12O404−-based cobalt complexes: assembly, structure, electrochemical sensing and dye adsorption properties
• Authors of publication: Li, Lei; Zhang, Yue; Wang, Xiang; Xu, Na; Li, Xiao-Hui; Wang, Xiu-Li
• Journal of publication: CrystEngComm
• Year of publication: 2022
• Journal volume: 24
• Journal issue: 6
• Pages of publication: 1195 - 1202
• a: 12.4696 ± 0.0014 Å
• b: 13.3599 ± 0.0014 Å
• c: 20.487 ± 0.002 Å
• α: 86.843 ± 0.002°
• β: 73.656 ± 0.002°
• γ: 85.335 ± 0.002°
• Cell volume: 3262.4 ± 0.6 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0714
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.0797
• Weighted residual factors for all reflections included in the refinement: 0.0882
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No