Information card for entry 7247039

Structure parameters

• Formula: C17 H20 Br2 Cl Mn N2 O9
• Calculated formula: C17 H20 Br2 Cl Mn N2 O9
• SMILES: [Mn]123([N](=Cc4c(ccc(c4)Br)O2)CCC[N]1=Cc1cc(Br)ccc1O3)([OH2])[OH2].O.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: 7.8022 ± 0.0003 Å
• b: 13.8143 ± 0.0006 Å
• c: 20.8527 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2247.54 ± 0.16 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0214
• Residual factor for significantly intense reflections: 0.0199
• Weighted residual factors for significantly intense reflections: 0.0471
• Weighted residual factors for all reflections included in the refinement: 0.0477
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No