Information card for entry 7716662

Structure parameters

• Formula: C76 H118 Co3 N8 O5
• Calculated formula: C76 H118 Co3 N8 O5
• 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: 13.9962 ± 0.0013 Å
• b: 24.752 ± 0.002 Å
• c: 21.489 ± 0.002 Å
• α: 90°
• β: 92.974 ± 0.003°
• γ: 90°
• Cell volume: 7434.5 ± 1.1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.0781
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1214
• Weighted residual factors for all reflections included in the refinement: 0.1348
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No