Information card for entry 4347641

Structure parameters

• Formula: C25 H31 Cl2 Fe N5 O10
• Calculated formula: C25 H31 Cl2 Fe N5 O10
• SMILES: [Fe]123456[O]7CC[N]4(Cc4cccc([n]54)C[N]3(Cc3[n]2cccc3)CC[O]1CC7)Cc1cccc[n]61.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: 18.3758 ± 0.0009 Å
• b: 9.1185 ± 0.0004 Å
• c: 18.809 ± 0.0008 Å
• α: 90°
• β: 113.237 ± 0.001°
• γ: 90°
• Cell volume: 2896 ± 0.2 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: 0.031
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0664
• Weighted residual factors for all reflections included in the refinement: 0.0681
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No