Information card for entry 7132483

Structure parameters

• Formula: C40 H52 Co2 N4 S4
• Calculated formula: C40 H52 Co2 N4 S4
• Title of publication: A single carbon atom controls the geometry and reactivity of Co^II(N₂S₂) complexes.
• Authors of publication: Jana, Manish; Quiroz, Manuel; Darensbourg, Marcetta Y.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 9
• Pages of publication: 1128 - 1131
• a: 17.8761 ± 0.0003 Å
• b: 13.6323 ± 0.0003 Å
• c: 15.8821 ± 0.0003 Å
• α: 90°
• β: 102.083 ± 0.002°
• γ: 90°
• Cell volume: 3784.6 ± 0.13 ų
• Cell temperature: 100.01 ± 0.12 K
• Ambient diffraction temperature: 100.01 ± 0.12 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0518
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.0988
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No