Information card for entry 1556290

Structure parameters

• Formula: C76.18 H63.47 B N2 O P2 Zn
• Calculated formula: C76.2 H63.48 B N2 O P2 Zn
• SMILES: [B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.c12c3cccc1c1cccc(P(=[N](c4ccccc4C)[Zn]([N](=P3(c3ccccc3)c3ccccc3)c3c(C)cccc3)C)(c3ccccc3)c3ccccc3)c1o2
• 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: 9.9214 ± 0.0008 Å
• b: 17.1175 ± 0.0013 Å
• c: 18.4747 ± 0.0014 Å
• α: 86.754 ± 0.001°
• β: 78.725 ± 0.001°
• γ: 80.859 ± 0.001°
• Cell volume: 3036.9 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0878
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.0849
• Weighted residual factors for all reflections included in the refinement: 0.0987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No