Information card for entry 7705897

Structure parameters

• Formula: C33 H42 Co2 N4 O9 S2
• Calculated formula: C33 H42 Co2 N4 O9 S2
• SMILES: [Co]1234([O]5[Co]([O]1c1c(C[NH]4CC(C[NH]3Cc3c5c(OCC)ccc3)(C)C)cccc1OCC)([O]=C(O2)c1cc(N(=O)=O)ccc1)N=C=S)[O]=S(C)C
• 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: 11.223 ± 0.011 Å
• b: 20.076 ± 0.019 Å
• c: 17.196 ± 0.017 Å
• α: 90°
• β: 102.05 ± 0.03°
• γ: 90°
• Cell volume: 3789 ± 6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1129
• Residual factor for significantly intense reflections: 0.0895
• Weighted residual factors for significantly intense reflections: 0.2464
• Weighted residual factors for all reflections included in the refinement: 0.2752
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No