Information card for entry 4080212

Structure parameters

• Formula: C52 H68 N5 O P2 Si2 Y
• Calculated formula: C52 H68 N5 O P2 Si2 Y
• SMILES: [Y]123(C(=P(N1[Si](C)(C)C)(c1ccccc1)c1ccccc1)P(=[N]2[Si](C)(C)C)(c1ccccc1)c1ccccc1)([N](=NN3C12CC3CC(C1)CC(C2)C3)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: 12.725 ± 0.007 Å
• b: 19.531 ± 0.011 Å
• c: 20.748 ± 0.011 Å
• α: 90°
• β: 101.224 ± 0.01°
• γ: 90°
• Cell volume: 5058 ± 5 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 7
• 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: 0.1099
• Residual factor for significantly intense reflections: 0.0708
• Weighted residual factors for significantly intense reflections: 0.1771
• Weighted residual factors for all reflections included in the refinement: 0.2011
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No