Information card for entry 1556289

Structure parameters

• Formula: C85 H77 B N2 O P2 Zn
• Calculated formula: C85 H77 B N2 O P2 Zn
• SMILES: [Zn]1([N](=P(c2c3oc4c(c3ccc2)cccc4P(=[N]1c1c(cccc1)C(C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)c1c(cccc1)C(C)C)C.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.c1ccccc1
• 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: 14.3702 ± 0.0007 Å
• b: 15.2542 ± 0.0007 Å
• c: 17.2588 ± 0.0008 Å
• α: 81.451 ± 0.001°
• β: 66.469 ± 0.001°
• γ: 76.867 ± 0.001°
• Cell volume: 3370.8 ± 0.3 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: 0.037
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0785
• Weighted residual factors for all reflections included in the refinement: 0.0825
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No