Information card for entry 7133682

Structure parameters

• Formula: C42 H45 Ag F3 N7 Ni O3 S
• Calculated formula: C42 H45 Ag F3 N7 Ni O3 S
• 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: 10.8971 ± 0.001 Å
• b: 15.177 ± 0.0014 Å
• c: 24.243 ± 0.002 Å
• α: 90°
• β: 102.067 ± 0.003°
• γ: 90°
• Cell volume: 3920.8 ± 0.6 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0461
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1316
• Weighted residual factors for all reflections included in the refinement: 0.1327
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No