Information card for entry 4080205

Structure parameters

• Formula: C48 H68 I N4 O P2 Si2 Y
• Calculated formula: C48 H68 I N4 O 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\C1CCCCC1)N3C1CCCCC1)([O]1CCCC1)I
• 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: 11.8218 ± 0.0003 Å
• b: 13.8371 ± 0.0004 Å
• c: 16.316 ± 0.0004 Å
• α: 92.766 ± 0.002°
• β: 99.723 ± 0.002°
• γ: 107.467 ± 0.002°
• Cell volume: 2495.39 ± 0.12 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1103
• Residual factor for significantly intense reflections: 0.0741
• Weighted residual factors for significantly intense reflections: 0.1405
• Weighted residual factors for all reflections included in the refinement: 0.1569
• Goodness-of-fit parameter for all reflections included in the refinement: 1.181
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No