Information card for entry 1556292

Structure parameters

• Formula: C86.83 H60.66 B Cl1.66 F24 N2 O4 P2 Zn
• Calculated formula: C86.83 H60.66 B Cl1.66 F24 N2 O4 P2 Zn
• SMILES: [B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F.c12c3cccc1c1cccc(P(=[N](c4ccccc4C)[Zn]4([N](=P3(c3ccccc3)c3ccccc3)c3ccccc3C)[O]=C(OC)C(O4)C)(c3ccccc3)c3ccccc3)c1o2.C(Cl)Cl
• Title of publication: Exploring the versatility of a bis(phosphinimine) pincer ligand: effect of sterics on structure and lactide polymerization activity of cationic zinc complexes
• Authors of publication: Wheaton, Craig A.; Hayes, Paul G.
• Journal of publication: Catal. Sci. Technol.
• Year of publication: 2012
• Journal volume: 2
• Journal issue: 1
• Pages of publication: 125
• a: 11.4655 ± 0.0017 Å
• b: 19.564 ± 0.003 Å
• c: 19.662 ± 0.003 Å
• α: 99.64 ± 0.002°
• β: 103.416 ± 0.002°
• γ: 92.916 ± 0.002°
• Cell volume: 4210.9 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.1704
• Residual factor for significantly intense reflections: 0.0785
• Weighted residual factors for significantly intense reflections: 0.1742
• Weighted residual factors for all reflections included in the refinement: 0.2148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No