Information card for entry 7033107

Structure parameters

• Chemical name: [Ni(L)(mu-Br)Li]N(OTf)2
• Formula: C18 H23 Br F6 Li N Ni O7 S4
• Calculated formula: C18 H23 Br F6 Li N Ni O7 S4
• Title of publication: Nickel complexes of a binucleating ligand derived from an SCS pincer.
• Authors of publication: Peterson, Sonja M.; Helm, Monte L.; Appel, Aaron M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 2
• Pages of publication: 747 - 752
• a: 8.0944 ± 0.0006 Å
• b: 9.0875 ± 0.0006 Å
• c: 19.2405 ± 0.0013 Å
• α: 88.473 ± 0.003°
• β: 85.212 ± 0.003°
• γ: 71.11 ± 0.003°
• Cell volume: 1334.39 ± 0.16 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140.15 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0555
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0824
• Weighted residual factors for all reflections included in the refinement: 0.0899
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No