Information card for entry 7035346

Structure parameters

• Formula: C29 H22 F16 N4 Ni2 O
• Calculated formula: C29 H22 F16 N4 Ni2 O
• SMILES: [Ni]12([n]3c(c4[n]1cccc4)cccc3c1[n]([Ni]3([N]#CC)C(F)(F)C(F)(F)C(F)(F)C3(F)F)cccc1)C(F)(F)C(F)(F)C(F)(F)C2(F)F.O1CCCC1
• 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: 10.262 ± 0.003 Å
• b: 11.987 ± 0.004 Å
• c: 13.409 ± 0.004 Å
• α: 98.828 ± 0.008°
• β: 104.504 ± 0.008°
• γ: 98.746 ± 0.008°
• Cell volume: 1546.4 ± 0.8 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1114
• Residual factor for significantly intense reflections: 0.0961
• Weighted residual factors for significantly intense reflections: 0.2744
• Weighted residual factors for all reflections included in the refinement: 0.2787
• Goodness-of-fit parameter for all reflections included in the refinement: 1.182
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No