Information card for entry 7062658

Structure parameters

• Formula: C43 H45 Cd2 Cl2 F6 N6 O8 P
• Calculated formula: C43 H45 Cd2 Cl2 F6 N6 O8 P
• SMILES: [Cd]1234([OH]c5c(Cc6c7c(cc(c6)Cl)C[N]68Cc9[n](cccc9)[Cd]98([OH2])([n]8c(C6)cccc8)([O]=C([O]29)C)O7)cc(Cl)cc5C[N]1(Cc1[n]3cccc1)Cc1[n]4cccc1)OC(=O)C.[P](F)(F)(F)(F)(F)[F-].O
• 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: 17.1145 ± 0.0009 Å
• b: 14.543 ± 0.0007 Å
• c: 20.9676 ± 0.001 Å
• α: 90°
• β: 102.122 ± 0.003°
• γ: 90°
• Cell volume: 5102.4 ± 0.4 ų
• Cell temperature: 100.02 K
• Ambient diffraction temperature: 100.02 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: 0.0723
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0651
• Weighted residual factors for all reflections included in the refinement: 0.0749
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No