Information card for entry 7134943

Structure parameters

• Formula: C40 H42 F6 Li N7 Ni O7 S2
• Calculated formula: C40 H42 F6 Li N7 Ni O7 S2
• Title of publication: Synthesis and electronic structure elucidation of bioinspired heterobimetallic nickel complexes.
• Authors of publication: Patterson, Claire R.; Oyala, Paul H.; Buss, Joshua A.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 66
• Pages of publication: 12345 - 12348
• a: 19.0891 ± 0.0001 Å
• b: 19.1789 ± 0.0001 Å
• c: 23.9828 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8780.29 ± 0.07 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 8
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0303
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections included in the refinement: 0.0747
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No