Information card for entry 4080209

Structure parameters

• Formula: C106.75 H122 I2 N4 O5 P4 Si4 Y2
• Calculated formula: C98 H112 I2 N4 O5 P4 Si4 Y2
• 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: 14.0687 ± 0.0006 Å
• b: 16.9323 ± 0.0007 Å
• c: 22.4949 ± 0.0009 Å
• α: 96.996 ± 0.003°
• β: 90.722 ± 0.004°
• γ: 93.541 ± 0.004°
• Cell volume: 5307.5 ± 0.4 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: 0.0651
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.165
• Weighted residual factors for all reflections included in the refinement: 0.176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.19
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No