Information card for entry 4349778

Structure parameters

• Common name: Co(L3)2(ClO4)2
• Chemical name: 4
• Formula: C36 H34 Cl2 Co N6 O12
• Calculated formula: C36 H34 Cl2 Co N6 O12
• SMILES: [Co]1234([N]5CCOC=5c5[n]1c(cc(c5)c1ccc(C)cc1)C1OCC[N]2=1)[N]1CCOC=1c1[n]3c(cc(c1)c1ccc(C)cc1)C1OCC[N]4=1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Probing the influence of molecular symmetry on the magnetic anisotropy of octahedral cobalt(ii) complexes
• Authors of publication: Ding, Zhong-Yu; Meng, Yin-Shan; Xiao, Yi; Zhang, Yi-Quan; Zhu, Yuan-Yuan; Gao, Song
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2017
• Journal volume: 4
• Journal issue: 11
• Pages of publication: 1909
• a: 18.847 ± 0.004 Å
• b: 17.562 ± 0.004 Å
• c: 11.378 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3766 ± 1.3 ų
• Cell temperature: 153.15 K
• Ambient diffraction temperature: 153.15 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0611
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1044
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No