Information card for entry 7715185

Structure parameters

• Formula: C40 H29 Br4 Cl2 Co N7 O8
• Calculated formula: C40 H29 Br4 Cl2 Co N7 O8
• SMILES: c1(ccc(cc1)Br)[N]1=Cc2cccc3C=[N](c4ccc(cc4)Br)[Co]451([n]23)[N](c1ccc(cc1)Br)=Cc1cccc(C=[N]5c2ccc(cc2)Br)[n]41.CC#N.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: How the spin state tunes the slow magnetic relaxation field dependence in spin crossover cobalt(II) complexes.
• Authors of publication: Rabelo, Renato; Toma, Luminita; Julve, Miguel; Lloret, Francesc; Pasán, Jorge; Cangussu, Danielle; Ruiz-García, Rafael; Cano, Joan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 12
• Pages of publication: 5507 - 5520
• a: 12.3179 ± 0.0001 Å
• b: 38.8295 ± 0.0003 Å
• c: 18.2714 ± 0.0002 Å
• α: 90°
• β: 92.694 ± 0.001°
• γ: 90°
• Cell volume: 8729.51 ± 0.14 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1106
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.0981
• Weighted residual factors for all reflections included in the refinement: 0.1132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No