Information card for entry 4072596

Structure parameters

• Formula: C45 H76 N3 O Si2 Y
• Calculated formula: C45 H76 N3 O Si2 Y
• Title of publication: Group 3 Dialkyl Complexes with Tetradentate (L, L, N, O; L = N, O, S) Monoanionic Ligands: Synthesis and Reactivity
• Authors of publication: Marinescu, Smaranda C.; Agapie, Theodor; Day, Michael W.; Bercaw, John E.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 5
• Pages of publication: 1178
• a: 18.3292 ± 0.0016 Å
• b: 10.1929 ± 0.0008 Å
• c: 28.733 ± 0.002 Å
• α: 90°
• β: 103.571 ± 0.002°
• γ: 90°
• Cell volume: 5218.2 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0896
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.1126
• Weighted residual factors for all reflections included in the refinement: 0.1151
• Goodness-of-fit parameter for all reflections included in the refinement: 2.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No