Information card for entry 4080210

Structure parameters

• Formula: C86.5 H98 I N4 O2 P4 Si4 Y
• Calculated formula: C83 H94 I N4 O2 P4 Si4 Y
• SMILES: [Y]12(I)([N](=P(C(P(c3ccccc3)(c3ccccc3)=N[Si](C)(C)C)=C(O2)c2ccccc2)(c2ccccc2)c2ccccc2)[Si](C)(C)C)[N](=P(C(=C(O1)c1ccccc1)P(c1ccccc1)(c1ccccc1)=N[Si](C)(C)C)(c1ccccc1)c1ccccc1)[Si](C)(C)C.Cc1ccccc1
• 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: 12.4201 ± 0.0003 Å
• b: 16.6524 ± 0.0004 Å
• c: 22.1146 ± 0.0003 Å
• α: 83.0555 ± 0.0016°
• β: 82.7864 ± 0.0015°
• γ: 69.759 ± 0.002°
• Cell volume: 4242.65 ± 0.17 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 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: 0.0623
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.12
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No