Information card for entry 7001431

Structure parameters

• Formula: C59.38 H68 N2 O2 P2 Si2 Y
• Calculated formula: C55 H63 N2 O2 P2 Si2 Y
• SMILES: [Y]12(C(=P(c3ccccc3)(c3ccccc3)N1[Si](C)(C)C)P(c1ccccc1)(c1ccccc1)=[N]2[Si](C)(C)C)(OC(c1ccccc1)(c1ccccc1)Cc1ccccc1)[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: 46.514 ± 0.004 Å
• b: 10.2277 ± 0.0009 Å
• c: 26.579 ± 0.002 Å
• α: 90°
• β: 106.543 ± 0.002°
• γ: 90°
• Cell volume: 12121.1 ± 1.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0556
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.12
• 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