Information card for entry 7710696

Structure parameters

• Formula: C44 H40 Cl2 Co N4 O4
• Calculated formula: C44 H40 Cl2 Co N4 O4
• SMILES: [Co](Cl)(Cl)([n]1c(n(c2c1cccc2)Cc1ccccc1OC)c1c(OC)cccc1)[n]1c(n(c2c1cccc2)Cc1c(OC)cccc1)c1ccccc1OC
• Title of publication: Single-molecule magnet behaviour and catalytic properties of tetrahedral Co(II) complexes bearing chloride and 1,2-disubstituted benzimidazole as ligands
• Authors of publication: Milani, Jorge Luiz Sônego; da Mata, Alvaro Farias Arruda; Oliveira, Igor Santos; Valdo, Ana Karoline Silva Medanha; Terra, Felipe Martins; Rabelo, Renato; Cangussu, Danielle; Cano, Joan; Lloret, Francesc; Julve, Miguel; das Chagas, Rafael Pavão
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 46.6731 ± 0.0011 Å
• b: 11.7655 ± 0.0003 Å
• c: 14.8882 ± 0.0004 Å
• α: 90°
• β: 100.07 ± 0.002°
• γ: 90°
• Cell volume: 8049.6 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1922
• Residual factor for significantly intense reflections: 0.0959
• Weighted residual factors for significantly intense reflections: 0.2557
• Weighted residual factors for all reflections included in the refinement: 0.3177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No