Information card for entry 4080214

Structure parameters

• Formula: C52 H71 N4 O3 P2 Si2 Y
• Calculated formula: C52 H71 N4 O3 P2 Si2 Y
• SMILES: [Y]1234(C(P(c5ccccc5)(c5ccccc5)=[N]1[Si](C)(C)C)(P(c1ccccc1)(c1ccccc1)=[N]2[Si](C)(C)C)/C(=N/C(C)(C)C)O3)([O]=C(N4C(C)(C)C)Cc1ccccc1)[O]1CCCC1
• Title of publication: Reactivity of the Yttrium Alkyl Carbene Complex [Y(BIPM)(CH2C6H5)(THF)] (BIPM = {C(PPh2NSiMe3)2})2‒: From Insertions, Substitutions, and Additions to Nontypical Transformations
• Authors of publication: Mills, David P.; Soutar, Lyndsay; Cooper, Oliver J.; 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: 1251
• a: 11.5702 ± 0.0017 Å
• b: 13.0541 ± 0.0019 Å
• c: 18.88 ± 0.003 Å
• α: 80.088 ± 0.003°
• β: 88.14 ± 0.003°
• γ: 72.461 ± 0.002°
• Cell volume: 2677.9 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1401
• Residual factor for significantly intense reflections: 0.0946
• Weighted residual factors for significantly intense reflections: 0.2388
• Weighted residual factors for all reflections included in the refinement: 0.2633
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No