Information card for entry 4070564

Structure parameters

• Common name: Arene-Y(CH2SiMe3)2.THF
• Formula: C32 H47 O Si2 Y
• Calculated formula: C32 H47 O Si2 Y
• SMILES: [c]12([c]3([c]4([c]56[c]1(c1ccccc1c1ccccc51)[Y]2346(C[Si](C)(C)C)(C[Si](C)(C)C)[O]1CCCC1)C)C)C
• Title of publication: Yttrium Complexes of a Phenanthrene-Fused Cyclopentadienyl: Synthetic, Structural, and Reactivity Studies
• Authors of publication: Sun, Jianlong; Berg, David J.; Twamley, Brendan
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 4
• Pages of publication: 683
• a: 11.1359 ± 0.0005 Å
• b: 12.7246 ± 0.0006 Å
• c: 12.9267 ± 0.0006 Å
• α: 76.003 ± 0.001°
• β: 74.189 ± 0.001°
• γ: 64.557 ± 0.001°
• Cell volume: 1574.97 ± 0.13 ų
• Cell temperature: 86 ± 2 K
• Ambient diffraction temperature: 86 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.035
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.075
• Weighted residual factors for all reflections included in the refinement: 0.077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No