Information card for entry 4347642

Structure parameters

• Formula: C25 H31 Cl2 Co N5 O10
• Calculated formula: C25 H31 Cl2 Co N5 O10
• SMILES: [Co]123456[n]7c8cccc7C[N]4(Cc4[n]1cccc4)CC[O]2CC[O]3CC[N]5(Cc1cccc[n]61)C8.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Late First-Row Transition-Metal Complexes Containing a 2-Pyridylmethyl Pendant-Armed 15-Membered Macrocyclic Ligand. Field-Induced Slow Magnetic Relaxation in a Seven-Coordinate Cobalt(II) Compound.
• Authors of publication: Antal, Peter; Drahoš, Bohuslav; Herchel, Radovan; Trávníček, Zdeněk
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 12
• Pages of publication: 5957 - 5972
• a: 18.306 ± 0.0011 Å
• b: 9.1269 ± 0.0005 Å
• c: 18.7659 ± 0.001 Å
• α: 90°
• β: 113.5 ± 0.002°
• γ: 90°
• Cell volume: 2875.3 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0424
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.073
• Weighted residual factors for all reflections included in the refinement: 0.0777
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No