Information card for entry 7710694

Structure parameters

• Formula: C40 H32 Cl2 Co N4
• Calculated formula: C40 H32 Cl2 Co N4
• SMILES: Cl[Co](Cl)([n]1c(n(c2ccccc12)Cc1ccccc1)c1ccccc1)[n]1c(n(Cc2ccccc2)c2c1cccc2)c1ccccc1
• 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: 10.1122 ± 0.0002 Å
• b: 11.0132 ± 0.0002 Å
• c: 16.9563 ± 0.0004 Å
• α: 81.262 ± 0.001°
• β: 79.356 ± 0.002°
• γ: 65.049 ± 0.001°
• Cell volume: 1676.87 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0644
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.1087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No