Information card for entry 7705896

Structure parameters

• Formula: C31 H38 Co2 N4 O9 S2
• Calculated formula: C31 H38 Co2 N4 O9 S2
• Title of publication: Field-induced single molecule magnet behavior of a dinuclear cobalt(II) complex: a combined experimental and theoretical study.
• Authors of publication: Banerjee, Abhisek; Banerjee, Snehasis; Gómez García, Carlos J; Benmansour, Samia; Chattopadhyay, Shouvik
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 46
• Pages of publication: 16778 - 16790
• a: 10.8887 ± 0.0008 Å
• b: 11.0302 ± 0.0008 Å
• c: 16.9783 ± 0.0013 Å
• α: 82.785 ± 0.003°
• β: 80.434 ± 0.003°
• γ: 66.001 ± 0.002°
• Cell volume: 1833.2 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0672
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.131
• Weighted residual factors for all reflections included in the refinement: 0.1577
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No