Information card for entry 4080111

Structure parameters

• Formula: C34 H54 N5 Si2 Y
• Calculated formula: C34 H54 N5 Si2 Y
• SMILES: [Y]1345678([N]([Si](C)(C)C)=C([C@H](N(C)C)c2ccccc2)N1[Si](C)(C)C)([N]([C@@H]3[C]14C=CC=C[CH]5=1)(C)C)[N]([C@@H]6[C]17=[CH]8C=CC=C1)(C)C.[Y]1345678([N]([Si](C)(C)C)=C([C@@H](N(C)C)c2ccccc2)N1[Si](C)(C)C)([N]([C@H]3[C]14C=CC=C[CH]5=1)(C)C)[N]([C@H]6[C]17=[CH]8C=CC=C1)(C)C
• Title of publication: Insertion Reactions and Catalytic Hydrophosphination of Heterocumulenes using α-MetalatedN,N-Dimethylbenzylamine Rare-Earth-Metal Complexes
• Authors of publication: Behrle, Andrew C.; Schmidt, Joseph A. R.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 5
• Pages of publication: 1141 - 1149
• a: 9.105 ± 0.0002 Å
• b: 11.1607 ± 0.0003 Å
• c: 18.8762 ± 0.0005 Å
• α: 98.193 ± 0.001°
• β: 96.863 ± 0.001°
• γ: 108.486 ± 0.001°
• Cell volume: 1772.7 ± 0.08 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0472
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1256
• Weighted residual factors for all reflections included in the refinement: 0.1275
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No