Information card for entry 4072597

Structure parameters

• Formula: C39 H62 N O3 Si2 Y
• Calculated formula: C39 H62 N O3 Si2 Y
• SMILES: [Y]123([O](C)CC[N]3(CC[O]1C)Cc1c(O2)c(cc(c1)C(C)(C)C)C(C)(C)C)(C[Si](C)(C)c1ccccc1)C[Si](C)(C)c1ccccc1
• 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: 11.364 ± 0.0004 Å
• b: 14.2999 ± 0.0005 Å
• c: 25.4993 ± 0.0009 Å
• α: 90°
• β: 100.231 ± 0.001°
• γ: 90°
• Cell volume: 4077.9 ± 0.2 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0527
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0535
• Weighted residual factors for all reflections included in the refinement: 0.0555
• Goodness-of-fit parameter for all reflections included in the refinement: 1.446
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No