Information card for entry 7133302

Structure parameters

• Formula: C76 H82 F6 N12 Ni4 O16 S2
• Calculated formula: C76 H82 F6 N12 Ni4 O16 S2
• Title of publication: A dinuclear nickel peroxycarbonate complex: CO₂ addition promotes H₂O₂ release.
• Authors of publication: Lillo, Hayley L.; Buss, Joshua A.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 65
• Pages of publication: 8549 - 8552
• a: 16.1401 ± 0.0009 Å
• b: 32.5762 ± 0.0009 Å
• c: 17.5728 ± 0.0006 Å
• α: 90°
• β: 111.887 ± 0.005°
• γ: 90°
• Cell volume: 8573.5 ± 0.7 ų
• Cell temperature: 85 K
• Ambient diffraction temperature: 85 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1623
• Residual factor for significantly intense reflections: 0.1345
• Weighted residual factors for significantly intense reflections: 0.3526
• Weighted residual factors for all reflections included in the refinement: 0.3756
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No