Information card for entry 7719365

Structure parameters

• Formula: C73 H106 Cl4 Co3 N4 O14
• Calculated formula: C68 H92 Co3 N4 O12
• Title of publication: Mixed-valence linear CoIII2Co^II complexes with easy-axis magnetic anisotropy: Experimental and theoretical investigation.
• Authors of publication: Ahmed, Naushad; Kalita, Pankaj; Nabi, Rizwan; Guizouarn, Thierry; Pointillart, Fabrice; Zhang, Xiaoguang; Chandrasekhar, Vadapalli
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 33
• Pages of publication: 12648 - 12657
• a: 13.0935 ± 0.0002 Å
• b: 13.6028 ± 0.0002 Å
• c: 13.6458 ± 0.0002 Å
• α: 64.187 ± 0.002°
• β: 65.083 ± 0.002°
• γ: 72.595 ± 0.001°
• Cell volume: 1964.25 ± 0.06 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 10 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0403
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0792
• Weighted residual factors for all reflections included in the refinement: 0.0816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No