Information card for entry 7127678

Structure parameters

• Formula: C44 H49 F N7 Ni O2
• Calculated formula: C44 H49 F N7 Ni O2
• Title of publication: Hydrogen-bonded nickel(I) complexes.
• Authors of publication: Wilson, Jessica R.; Zeller, Matthias; Szymczak, Nathaniel K.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 6
• Pages of publication: 753 - 756
• a: 12.9266 ± 0.0007 Å
• b: 11.3139 ± 0.0003 Å
• c: 25.9903 ± 0.0012 Å
• α: 90°
• β: 92.369 ± 0.004°
• γ: 90°
• Cell volume: 3797.8 ± 0.3 ų
• Cell temperature: 85 ± 2 K
• Ambient diffraction temperature: 85 ± 2 K
• Number of distinct elements: 6
• 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: 0.1159
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.1521
• Weighted residual factors for all reflections included in the refinement: 0.1837
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No