Information card for entry 2022425

Structure parameters

• Chemical name: bis{μ-tris[(<i>tert</i>-butylsulfanyl)methyl](2-oxidophenolato)borato-κ<i>O</i>,<i>O</i>',<i>S</i>,<i>S</i>':<i>O</i>'}dicobalt(II)
• Formula: C42 H74 B2 Co2 O4 S6
• Calculated formula: C42 H74 B2 Co2 O4 S6
• Title of publication: Iron(II)‒alkoxide and ‒aryloxide complexes of a tris(thioether)borate ligand: synthesis, molecular structures, and implications on the origin of instability of their iron(II)‒catecholate counterpart
• Authors of publication: Wang, Peng; Yap, Glenn P. A.; Riordan, Charles G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 9
• a: 14.409 ± 0.004 Å
• b: 9.494 ± 0.002 Å
• c: 18.745 ± 0.005 Å
• α: 90°
• β: 90.938 ± 0.004°
• γ: 90°
• Cell volume: 2564 ± 1.1 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 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: 0.0984
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.0923
• Weighted residual factors for all reflections included in the refinement: 0.1118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes