Information card for entry 7716661

Structure parameters

• Formula: C51 H88 Co F6 N8 O11 S2
• Calculated formula: C50.998 H88 Co F5.994 N8 O10.994 S1.998
• Title of publication: Metal- <i>versus</i> ligand-centered reactivity of a cobalt-phenylenediamide complex with electrophiles.
• Authors of publication: Zou, Minzhu; Kuruppu, Sewwandi; Emge, Thomas J.; Waldie, Kate M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 31
• Pages of publication: 13174 - 13183
• a: 13.1393 ± 0.0001 Å
• b: 18.0237 ± 0.0001 Å
• c: 27.0667 ± 0.0002 Å
• α: 90°
• β: 99.18 ± 0.001°
• γ: 90°
• Cell volume: 6327.81 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0507
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1339
• Weighted residual factors for all reflections included in the refinement: 0.1368
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No