Information card for entry 7712746

Structure parameters

• Common name: [AII2]YR2
• Formula: C43 H70 N7 Si2 Y
• Calculated formula: C43 H70 N7 Si2 Y
• SMILES: [Y]12(N3c4c([N]1=C1N(C=CN1C(C)C)C(C)C)cc(cc4C(c1cc(cc([N]2=C2N(C=CN2C(C)C)C(C)C)c31)C)(C)C)C)(C[Si](C)(C)C)C[Si](C)(C)C
• Title of publication: Group 3 dialkyl complexes of a rigid monoanionic NNN-donor pincer ligand: synthesis, structures, unexpected reactivity with CPh₃⁺, and hydroamination catalysis.
• Authors of publication: Vasanthakumar, Aathith; Gray, Novan A. G.; Franko, Christopher J.; Murphy, Maia C.; Emslie, David J. H.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• a: 11.7271 ± 0.0006 Å
• b: 33.9737 ± 0.0017 Å
• c: 12.2113 ± 0.0006 Å
• α: 90°
• β: 106.235 ± 0.003°
• γ: 90°
• Cell volume: 4671.1 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• 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: 0.0656
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.1014
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No