Information card for entry 7717481

Structure parameters

• Common name: DS-2 - 20GLA002
• Formula: C44 H62 Cl2 Co N14 O18
• Calculated formula: C42 H54 Cl2 Co N14 O16
• Title of publication: Single-ion magnetism in novel Btp-based cobalt complexes of different charge.
• Authors of publication: Rama-Martínez, Gustavo; Osorio-Celis, Marcelo; Sabater-Algarra, Yolanda; Sánchez-Brunete, Diego; Llamas-Saiz, Antonio L; Quirós-Díez, Eugenia P; Vázquez, M Eugenio; Vázquez López, Miguel; Giménez López, María Del Carmen
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 46
• Pages of publication: 18515 - 18527
• a: 12.4084 ± 0.0003 Å
• b: 15.0996 ± 0.0004 Å
• c: 17.2362 ± 0.0005 Å
• α: 70.526 ± 0.001°
• β: 76.111 ± 0.001°
• γ: 70.281 ± 0.001°
• Cell volume: 2836.36 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0629
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0834
• Weighted residual factors for all reflections included in the refinement: 0.0929
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No