Information card for entry 1556287

Structure parameters

• Formula: C50 H40 N2 O P2
• Calculated formula: C50 H40 N2 O P2
• SMILES: P(=Nc1ccccc1C)(c1c2oc3c(c2ccc1)cccc3P(=Nc1ccccc1C)(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: 18.0198 ± 0.0009 Å
• b: 14.0045 ± 0.0007 Å
• c: 16.7584 ± 0.0009 Å
• α: 90°
• β: 109.646 ± 0.001°
• γ: 90°
• Cell volume: 3982.9 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0465
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.1041
• Weighted residual factors for all reflections included in the refinement: 0.1079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No