Information card for entry 7062656

Structure parameters

• Formula: C43 H41 Cl2 F6 Mn2 N6 O6 P
• Calculated formula: C43 H41 Cl2 F6 Mn2 N6 O6 P
• SMILES: [Mn]12345[OH]c6c(C[N]4(Cc4[n]3cccc4)Cc3[n]5cccc3)cc(Cl)cc6Cc3cc(Cl)cc4c3O[Mn]35([O]=C(O1)C)(OC(=[O]2)C)[n]1c(C[N]3(C4)Cc2[n]5cccc2)cccc1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Structure and magnetic characterization of some bicompartmental [N6O2] divalent metal(ii) complexes using bis(phenolato) ligands bearing two pendant bis(pyridyl) amine arms
• Authors of publication: Mautner, Franz A.; Fischer, Roland C.; Torvisco, Ana; Nakashima, Kai; Handa, Makoto; Mikuriya, Masahiro; Salem, Nahed M. H.; Overby, Gabriel J.; Maier, Madison R.; Louka, Febee R.; Massoud, Salah S.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 33
• Pages of publication: 15638 - 15649
• a: 11.8542 ± 0.0007 Å
• b: 25.7848 ± 0.0014 Å
• c: 16.0771 ± 0.0009 Å
• α: 90°
• β: 105.415 ± 0.002°
• γ: 90°
• Cell volume: 4737.3 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.01 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1061
• Weighted residual factors for all reflections included in the refinement: 0.1372
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No