Information card for entry 7134946

Structure parameters

• Formula: C75 H64.5 B F24 N6 Ni2 O5.75
• Calculated formula: C72 H57 B F24 N6 Ni2 O5
• 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: 12.952 ± 0.0002 Å
• b: 17.1844 ± 0.0003 Å
• c: 35.8757 ± 0.0004 Å
• α: 80.209 ± 0.001°
• β: 80.119 ± 0.001°
• γ: 75.351 ± 0.001°
• Cell volume: 7543.3 ± 0.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0509
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1054
• Weighted residual factors for all reflections included in the refinement: 0.1123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No