Information card for entry 4349779

Structure parameters

• Common name: Co(L4)2(ClO4)2
• Chemical name: 5
• Formula: C40 H48 Cl2 Co N8 O14
• Calculated formula: C40 H48 Cl2 Co N8 O14
• SMILES: [Co]1234([N]5C(C)(C)COC=5c5[n]1c(cc(c5)c1ccncc1)C1OCC([N]2=1)(C)C)[N]1C(C)(C)COC=1c1[n]3c(cc(c1)c1ccncc1)C1OCC([N]4=1)(C)C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=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: 25.736 ± 0.003 Å
• b: 75.453 ± 0.007 Å
• c: 9.3523 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 18161 ± 3 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0878
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.1672
• Weighted residual factors for all reflections included in the refinement: 0.1851
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No