Information card for entry 4080206

Structure parameters

• Formula: C44 H63 I N3 O3 P2 Si2 Y
• Calculated formula: C44 H63 I N3 O3 P2 Si2 Y
• SMILES: [Y]123(C(P(c4ccccc4)(c4ccccc4)=[N]1[Si](C)(C)C)(P(c1ccccc1)(c1ccccc1)=[N]2[Si](C)(C)C)C(=N\C(C)(C)C)\O3)(I)([O]1CCCC1)[O]1CCCC1
• Title of publication: Reactivity Studies of a T-Shaped Yttrium Carbene: C‒F and C‒O Bond Activation and C═C Bond Formation Promoted by [Y(BIPM)(I)(THF)2] (BIPM = C(PPh2NSiMe3)2)
• Authors of publication: Mills, David P.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 5
• Pages of publication: 1239
• a: 11.8331 ± 0.0013 Å
• b: 17.3545 ± 0.0018 Å
• c: 23.769 ± 0.002 Å
• α: 90°
• β: 102.276 ± 0.002°
• γ: 90°
• Cell volume: 4769.5 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• 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: 0.06
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0752
• Weighted residual factors for all reflections included in the refinement: 0.0834
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No