Information card for entry 7247040

Structure parameters

• Formula: C21 H26 Cl3 Mn N2 O8 S
• Calculated formula: C21 H26 Cl3 Mn N2 O8 S
• SMILES: [Mn]123([N](=Cc4c(O2)ccc(Cl)c4)CC(C)(C)C[N]1=Cc1cc(Cl)ccc1O3)([O]=S(C)C)[OH2].Cl(=O)(=O)(=O)[O-]
• Title of publication: An insight into the hydrogen bonding, halogen bonding and chalcogen bonding interactions in manganese(iii) complexes with N2O2donor salicylidine Schiff base ligands
• Authors of publication: Karmakar, Mridul; Sk, Wahedur; Gomila, Rosa M.; Drew, Michael. G. B.; Frontera, Antonio; Chattopadhyay, Shouvik
• Journal of publication: RSC Advances
• Year of publication: 2023
• Journal volume: 13
• Journal issue: 31
• Pages of publication: 21211 - 21224
• a: 10.626 ± 0.006 Å
• b: 11.755 ± 0.007 Å
• c: 11.982 ± 0.008 Å
• α: 81.815 ± 0.015°
• β: 67.238 ± 0.015°
• γ: 74.59 ± 0.012°
• Cell volume: 1329.2 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1406
• Residual factor for significantly intense reflections: 0.1028
• Weighted residual factors for significantly intense reflections: 0.2774
• Weighted residual factors for all reflections included in the refinement: 0.3176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.172
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No