Information card for entry 7133683

Structure parameters

• Formula: C84 H94 Cl4 N14 Ni2
• Calculated formula: C84 H94 Cl4 N14 Ni2
• 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: 38.727 ± 0.0002 Å
• b: 8.71219 ± 0.00005 Å
• c: 22.27255 ± 0.00011 Å
• α: 90°
• β: 94.061 ± 0.0005°
• γ: 90°
• Cell volume: 7495.82 ± 0.07 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0644
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1621
• Weighted residual factors for all reflections included in the refinement: 0.1649
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No