Information card for entry 7134944

Structure parameters

• Formula: C43 H48 Co F3 N7 Ni O8 S
• Calculated formula: C43 H48 Co F3 N7 Ni O8 S
• 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: 10.4885 ± 0.0001 Å
• b: 21.9395 ± 0.0002 Å
• c: 19.6735 ± 0.0002 Å
• α: 90°
• β: 96.268 ± 0.001°
• γ: 90°
• Cell volume: 4500.05 ± 0.08 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 8
• 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: 0.0572
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1057
• Weighted residual factors for all reflections included in the refinement: 0.1194
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No