Information card for entry 7242536

Structure parameters

• Formula: C66 H68 Cl4 Co2 N24 O26
• Calculated formula: C66 H68 Cl4 Co2 N24 O26
• Title of publication: A cobalt complex with 2,4,6-tris(di-2-pyridylamine)-1,3,5-triazine: antiferromagnetic couple governed single-molecule-magnet behaviour
• Authors of publication: Gao, Hang; Liu, Ka; Chang, Jin; Zhang, Juan
• Journal of publication: RSC Advances
• Year of publication: 2021
• Journal volume: 11
• Journal issue: 20
• Pages of publication: 12183 - 12187
• a: 13.483 ± 0.003 Å
• b: 14.312 ± 0.003 Å
• c: 20.482 ± 0.004 Å
• α: 90 ± 0.03°
• β: 101.02 ± 0.03°
• γ: 90 ± 0.03°
• Cell volume: 3879.5 ± 1.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• 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: 0.0654
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1106
• Weighted residual factors for all reflections included in the refinement: 0.1249
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No