Information card for entry 4516976

Structure parameters

• Formula: C53 H57 N5 Si4 Y
• Calculated formula: C53 H57 N5 Si4 Y
• Title of publication: Early Metal Di(pyridyl) Pyrrolide Complexes with Second Coordination Sphere Arene-π Interactions: Ligand Binding and Ethylene Polymerization.
• Authors of publication: Sampson, Jessica; Choi, Gyeongshin; Akhtar, Muhammed Naseem; Jaseer, E. A.; Theravalappil, Rajesh; Garcia, Nestor; Agapie, Theodor
• Journal of publication: ACS omega
• Year of publication: 2019
• Journal volume: 4
• Journal issue: 14
• Pages of publication: 15879 - 15892
• a: 12.8334 ± 0.0015 Å
• b: 18.935 ± 0.002 Å
• c: 21.972 ± 0.002 Å
• α: 66.153 ± 0.004°
• β: 86.673 ± 0.004°
• γ: 89.451 ± 0.004°
• Cell volume: 4874.6 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0854
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1291
• Weighted residual factors for all reflections included in the refinement: 0.1431
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No