Information card for entry 7036973

Structure parameters

• Formula: C28 H32 Cl F12 Li2 N Ni O6
• Calculated formula: C28 H32 Cl F12 Li2 N Ni O6
• SMILES: [Ni]123[Cl]4[Li]56([F]C(F)(F)C([O]25)(c2cc(ccc2N1c1c(C2([O]3[Li]34([F]C2(F)F)[O](C)CC[O]3C)C(F)(F)F)cc(cc1)C)C)C(F)(F)F)[O](C)CC[O]6C
• Title of publication: Synthesis and characterization of a family of M(2+) complexes supported by a trianionic ONO(3-) pincer-type ligand: towards the stabilization of high-spin square-planar complexes.
• Authors of publication: Pascualini, M. E.; Stoian, S. A.; Ozarowski, A.; Di Russo, N. V.; Thuijs, A. E.; Abboud, K. A.; Christou, G.; Veige, A. S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 46
• Pages of publication: 20207 - 20215
• a: 10.0895 ± 0.0007 Å
• b: 11.9761 ± 0.0008 Å
• c: 30.403 ± 0.002 Å
• α: 84.244 ± 0.001°
• β: 87.334 ± 0.001°
• γ: 70.942 ± 0.001°
• Cell volume: 3454.4 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0655
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0753
• Weighted residual factors for all reflections included in the refinement: 0.0854
• Goodness-of-fit parameter for all reflections included in the refinement: 0.917
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No