Information card for entry 7133681

Structure parameters

• Formula: C45 H50 F6 N8 Ni O6 S2
• Calculated formula: C45 H50 F6 N8 Ni O6 S2
• Title of publication: Synthesis and characterization of tetrapodal nickel complexes with adaptable ligand binding geometries.
• Authors of publication: Cho, Hsien-Liang; Gullett, Kelly L.; Fout, Alison R.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 76
• Pages of publication: 10564 - 10567
• a: 18.2202 ± 0.0001 Å
• b: 21.2148 ± 0.0001 Å
• c: 24.4312 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9443.58 ± 0.08 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0443
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1115
• Weighted residual factors for all reflections included in the refinement: 0.1125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No