Information card for entry 7132485

Structure parameters

• Formula: C54 H70 Co2 N6 O8 S4 W2
• Calculated formula: C54 H70 Co2 N6 O8 S4 W2
• 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: 24.5425 ± 0.0016 Å
• b: 11.5431 ± 0.0008 Å
• c: 24.7944 ± 0.0017 Å
• α: 90°
• β: 115.177 ± 0.003°
• γ: 90°
• Cell volume: 6356.9 ± 0.8 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 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: 0.0424
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0692
• Weighted residual factors for all reflections included in the refinement: 0.0747
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No