Information card for entry 4347643

Structure parameters

• Formula: C25 H31 Cl2 Mn N5 O10
• Calculated formula: C25 H31 Cl2 Mn N5 O10
• SMILES: [Mn]123456[O]7CC[O]1CC[N]4(Cc1cccc[n]51)Cc1[n]6c(C[N]2(Cc2cccc[n]32)CC7)ccc1.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: 18.4837 ± 0.0011 Å
• b: 9.1361 ± 0.0005 Å
• c: 18.7481 ± 0.0011 Å
• α: 90°
• β: 113.011 ± 0.001°
• γ: 90°
• Cell volume: 2914.1 ± 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: 0.0951
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for significantly intense reflections: 0.1449
• Weighted residual factors for all reflections included in the refinement: 0.1583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No