Information card for entry 7001429

Structure parameters

• Formula: C33 H45 O3 Y
• Calculated formula: C33 H45 O3 Y
• SMILES: [Y](Cc1ccccc1)(Cc1ccccc1)(Cc1ccccc1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1
• Title of publication: Synthesis and reactivity of the yttrium-alkyl-carbene complex [Y(BIPM)(CH2C6H5)(THF)] (BIPM = {C(PPh2NSiMe3)2})
• Authors of publication: Mills, David P.; Cooper, Oliver J.; McMaster, Jonathan; Lewis, William; Liddle, Stephen T.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 23
• Pages of publication: 4547 - 4555
• a: 17.3179 ± 0.0014 Å
• b: 20.8626 ± 0.0017 Å
• c: 8.4199 ± 0.0007 Å
• α: 90°
• β: 93.319 ± 0.002°
• γ: 90°
• Cell volume: 3037 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0282
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0575
• Weighted residual factors for all reflections included in the refinement: 0.0587
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No