Information card for entry 4080208

Structure parameters

• Formula: C51 H73 I N3 O2 P2 Si2 Y
• Calculated formula: C51 H73 I N3 O2 P2 Si2 Y
• SMILES: [Y]12(I)(C(=P(c3ccccc3)(c3ccccc3)N1[Si](C)(C)C)P(c1ccccc1)(c1ccccc1)=[N]2[Si](C)(C)C)([O]1CCCC1)Nc1c(cccc1C(C)C)C(C)C.O1CCCC1
• 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: 12.2756 ± 0.0002 Å
• b: 45.6639 ± 0.0007 Å
• c: 9.47291 ± 0.00014 Å
• α: 90°
• β: 99.2161 ± 0.0015°
• γ: 90°
• Cell volume: 5241.51 ± 0.14 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0582
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.134
• Weighted residual factors for all reflections included in the refinement: 0.137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.23
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No