Information card for entry 4349777

Structure parameters

• Common name: Co(L2)2(ClO4)2(MeCN)
• Chemical name: 3
• Formula: C32 H41 Cl2 Co N7 O12
• Calculated formula: C32 H41 Cl2 Co N7 O12
• SMILES: [Co]1234([N]5C(C)(C)COC=5c5[n]1c(ccc5)C1OCC([N]2=1)(C)C)[N]1C(C)(C)COC=1c1[n]3c(ccc1)C1OCC([N]4=1)(C)C.N#CC.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: 16.987 ± 0.003 Å
• b: 19.242 ± 0.004 Å
• c: 22.838 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7465 ± 3 ų
• Cell temperature: 153.15 K
• Ambient diffraction temperature: 153.15 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0861
• Residual factor for significantly intense reflections: 0.0809
• Weighted residual factors for significantly intense reflections: 0.1405
• Weighted residual factors for all reflections included in the refinement: 0.1423
• Goodness-of-fit parameter for all reflections included in the refinement: 1.32
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No