Information card for entry 7710370

Structure parameters

• Common name: 2-Co
• Chemical name: 2-Co
• Formula: C36 H34 Cl2 Co N10 O12
• Calculated formula: C36 H34 Cl2 Co N10 O12
• SMILES: [Co]1234([N]5CCOC=5c5[n]1c(ccc5)c1[n]2c(ccc1)C1OCC[N]3=1)[N]1CCOC=1c1nc(ccc1)c1nc(ccc1)C1OCC[N]4=1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].N#CC.N#CC
• Title of publication: Slow magnetic relaxation in mononuclear octa-coordinate Fe(ii) and Co(ii) complexes from a Bpybox ligand
• Authors of publication: Li, Rui-Xia; Sun, Hui-Ying; Liang, Hai-Chao; Yi, Cheng; Yao, Nian-Tao; Meng, Yin-Shan; Xiong, Jin; Liu, Tao; Zhu, Yuan-Yuan
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 15.5153 ± 0.0011 Å
• b: 14.5762 ± 0.001 Å
• c: 17.6396 ± 0.0012 Å
• α: 90°
• β: 97.136 ± 0.002°
• γ: 90°
• Cell volume: 3958.4 ± 0.5 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0579
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.1118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No