Information card for entry 4516978

Structure parameters

• Formula: C76 H96 N3 O Si4 Y
• Calculated formula: C76 H96 N3 O 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: 11.597 ± 0.005 Å
• b: 16.582 ± 0.007 Å
• c: 21.396 ± 0.005 Å
• α: 96.041 ± 0.006°
• β: 104.761 ± 0.006°
• γ: 94.927 ± 0.007°
• Cell volume: 3929 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 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: 0.0679
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1268
• Weighted residual factors for all reflections included in the refinement: 0.1367
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No