Information card for entry 7710697

Structure parameters

• Formula: C40 H28 Cl6 Co N4
• Calculated formula: C40 H28 Cl6 Co N4
• SMILES: Cl[Co]([n]1c2ccccc2n(c1c1ccc(cc1)Cl)Cc1ccc(Cl)cc1)(Cl)[n]1c2c(n(c1c1ccc(Cl)cc1)Cc1ccc(cc1)Cl)cccc2
• 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: 18.8282 ± 0.0008 Å
• b: 9.5569 ± 0.0004 Å
• c: 42.2102 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7595.3 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1224
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.1436
• Weighted residual factors for all reflections included in the refinement: 0.1721
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No