Information card for entry 7709411

Structure parameters

• Formula: C60 H56 Co2 N7 O21 Pr
• Calculated formula: C60 H56 Co2 N7 O21 Pr
• SMILES: [Pr]1234567([O]8[Co]9%10%11([N](=Cc%12cccc(c8%12)[O]1C)c1ccccc1C[OH]%10)[N](=Cc1cccc(c1[O]2%11)[O]3C)c1ccccc1C[OH]9)([O]1[Co]238([N](=Cc9cccc(c19)[O]4C)c1ccccc1C[OH]2)[N](=Cc1cccc(c1[O]53)[O]6C)c1ccccc1C[OH]8)ON(=O)=[O]7.N(=O)(=O)[O-].N(=O)(=O)[O-]
• Title of publication: Experimental and theoretical insights into Co-Ln magnetic exchange and the rare slow-magnetic relaxation behavior of [CoII2Pr]²⁺ in a series of linear [CoII2Ln]²⁺ complexes.
• Authors of publication: Ahmed, Naushad; Uddin Ansari, Kamal
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2022
• Journal volume: 51
• Journal issue: 10
• Pages of publication: 4122 - 4134
• a: 12.746 ± 0.003 Å
• b: 13.25 ± 0.003 Å
• c: 21.758 ± 0.006 Å
• α: 92.052 ± 0.011°
• β: 92.012 ± 0.001°
• γ: 118.729 ± 0.016°
• Cell volume: 3214.4 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0653
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1142
• Weighted residual factors for all reflections included in the refinement: 0.1205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No