Information card for entry 4347640

Structure parameters

• Formula: C25 H31 Cl2 N5 Ni O10
• Calculated formula: C25 H31 Cl2 N5 Ni O10
• SMILES: [Ni]12345[O]6CC[N]2(Cc2[n]1c(C[N]3(Cc1[n]4cccc1)CCOCC6)ccc2)Cc1[n]5cccc1.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: 17.425 ± 0.004 Å
• b: 10.684 ± 0.002 Å
• c: 15.272 ± 0.003 Å
• α: 90°
• β: 96.54 ± 0.03°
• γ: 90°
• Cell volume: 2824.7 ± 1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0273
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.0628
• Weighted residual factors for all reflections included in the refinement: 0.0637
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No