Information card for entry 7709409

Structure parameters

• Formula: C60 H56 Co2 La N7 O21
• Calculated formula: C60 H56 Co2 La N7 O21
• SMILES: [La]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]239([N](=Cc%10cccc(c1%10)[O]4C)c1ccccc1C[OH]2)[N](=Cc1cccc(c1[O]53)[O]6C)c1ccccc1C[OH]9)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: 12.704 ± 0.002 Å
• b: 13.2508 ± 0.0019 Å
• c: 21.871 ± 0.004 Å
• α: 85.942 ± 0.007°
• β: 87.626 ± 0.007°
• γ: 61.386 ± 0.004°
• Cell volume: 3223.8 ± 0.9 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: 0.0547
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.0989
• Weighted residual factors for all reflections included in the refinement: 0.1034
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No