Information card for entry 4072595

Structure parameters

• Formula: C39 H62 N O3 Sc Si2
• Calculated formula: C39 H62 N O3 Sc Si2
• SMILES: [Sc]123(Oc4c(C[N]3(CC[O]1C)CC[O]2C)cc(cc4C(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: 12.8434 ± 0.0005 Å
• b: 18.7067 ± 0.0007 Å
• c: 33.6484 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8084.3 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0693
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.0693
• Weighted residual factors for all reflections included in the refinement: 0.0709
• Goodness-of-fit parameter for all reflections included in the refinement: 2.272
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No