Information card for entry 4080207

Structure parameters

• Formula: C39.5 H51 N3 P2 Si2
• Calculated formula: C36 H47 N3 P2 Si2
• SMILES: P(=N[Si](C)(C)C)(C(P(=N[Si](C)(C)C)(c1ccccc1)c1ccccc1)=C=NC(C)(C)C)(c1ccccc1)c1ccccc1
• 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: 14.986 ± 0.003 Å
• b: 15.291 ± 0.003 Å
• c: 17.647 ± 0.004 Å
• α: 90.56 ± 0.03°
• β: 102.89 ± 0.03°
• γ: 100.2 ± 0.03°
• Cell volume: 3874.5 ± 1.5 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 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: 0.0662
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1282
• Weighted residual factors for all reflections included in the refinement: 0.1374
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No