Information card for entry 7035347

Structure parameters

• Formula: C19 H11 F8 N3 Ni
• Calculated formula: C19 H11 F8 N3 Ni
• SMILES: [Ni]12([n]3c(c4[n]1cccc4)cccc3c1ncccc1)C(F)(F)C(F)(F)C(F)(F)C2(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: 10.2036 ± 0.0019 Å
• b: 10.296 ± 0.002 Å
• c: 10.3028 ± 0.0019 Å
• α: 62.689 ± 0.004°
• β: 67.126 ± 0.004°
• γ: 75.991 ± 0.004°
• Cell volume: 883.4 ± 0.3 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0693
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1037
• Weighted residual factors for all reflections included in the refinement: 0.1118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No