Information card for entry 2244022

Structure parameters

• Chemical name: Tetra-μ~3~-sulfato-tetrakis[bis(3-methylpyridine)cobalt(II)]
• Formula: C48 H56 Co4 N8 O16 S4
• Calculated formula: C48 H56 Co4 N8 O16 S4
• SMILES: c1c(ccc[n]1[Co]123([n]4cc(ccc4)C)[O]=S4(=O)[O]5[Co]67([n]8cc(ccc8)C)([n]8cc(ccc8)C)[O]=S8(=O)[O]1[Co]1([n]9cc(ccc9)C)([n]9cc(ccc9)C)([O]=S(=O)([O]2[Co]5(O4)([n]2cc(ccc2)C)([n]2cc(ccc2)C)[O]=S(=O)([O]61)O7)O3)O8)C
• Title of publication: A cuboidal [Cu~4~(SO~4~)~4~] structure supported by β-picoline ligands
• Authors of publication: Park, Ava M.; Golen, James A.; Manke, David R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2022
• Journal volume: 78
• Journal issue: 2
• Pages of publication: 108 - 110
• a: 15.6121 ± 0.0016 Å
• b: 15.6121 ± 0.0016 Å
• c: 11.8359 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2884.9 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298.15 K
• Number of distinct elements: 6
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.0212
• Residual factor for significantly intense reflections: 0.019
• Weighted residual factors for significantly intense reflections: 0.0445
• Weighted residual factors for all reflections included in the refinement: 0.0459
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes