Information card for entry 7035348

Structure parameters

• Formula: C21 H14 B F12 N4 Ni
• Calculated formula: C21 H14 B F12 N4 Ni
• SMILES: [Ni]123([n]4ccccc4c4[n]1c(ccc4)c1[n]2cccc1)([N]#CC)C(F)(F)C(F)(F)C(F)(F)C3(F)F.[B](F)(F)(F)[F-]
• Title of publication: Accessing perfluoroalkyl nickel(ii), (iii), and (iv) complexes bearing a readily attached [C4F8] ligand.
• Authors of publication: Yu, S.; Dudkina, Y.; Wang, H.; Kholin, K. V.; Kadirov, M. K.; Budnikova, Y. H.; Vicic, D. A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 45
• Pages of publication: 19443 - 19446
• a: 13.2657 ± 0.0009 Å
• b: 12.9585 ± 0.0009 Å
• c: 13.5849 ± 0.0009 Å
• α: 90°
• β: 96.042 ± 0.0017°
• γ: 90°
• Cell volume: 2322.3 ± 0.3 ų
• Cell temperature: 135 ± 2 K
• Ambient diffraction temperature: 135 ± 2 K
• Number of distinct elements: 6
• 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: 0.0887
• Residual factor for significantly intense reflections: 0.073
• Weighted residual factors for significantly intense reflections: 0.1566
• Weighted residual factors for all reflections included in the refinement: 0.167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No