Information card for entry 1556286

Structure parameters

• Formula: C54.2 H48.4 Cl0.4 N2 O P2
• Calculated formula: C54.2 H48.4 Cl0.4 N2 O P2
• SMILES: c12c(cccc1c1cccc(P(=Nc3ccccc3C(C)C)(c3ccccc3)c3ccccc3)c1o2)P(=Nc1c(cccc1)C(C)C)(c1ccccc1)c1ccccc1.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: 11.5434 ± 0.0011 Å
• b: 14.8956 ± 0.0015 Å
• c: 15.1659 ± 0.0015 Å
• α: 62.313 ± 0.001°
• β: 86.134 ± 0.001°
• γ: 78.115 ± 0.001°
• Cell volume: 2258.4 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1432
• Residual factor for significantly intense reflections: 0.0646
• Weighted residual factors for significantly intense reflections: 0.1472
• Weighted residual factors for all reflections included in the refinement: 0.1827
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No