Information card for entry 4347644

Structure parameters

• Formula: C25 H31 N5 O2
• Calculated formula: C25 H31 N5 O2
• SMILES: n1c2cccc1CN(CCOCCOCCN(C2)Cc1ncccc1)Cc1ncccc1
• 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: 6.1891 ± 0.0003 Å
• b: 12.1423 ± 0.0009 Å
• c: 15.9337 ± 0.0009 Å
• α: 106.36 ± 0.003°
• β: 97.182 ± 0.003°
• γ: 93.344 ± 0.003°
• Cell volume: 1134.4 ± 0.12 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1051
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.1226
• Weighted residual factors for all reflections included in the refinement: 0.137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No