Information card for entry 4070565

Structure parameters

• Common name: C68 H86 O2 Si4 Y2, C7 H8
• Formula: C75 H94 O2 Si4 Y2
• Calculated formula: C75 H94 O2 Si4 Y2
• SMILES: [c]12([c]34[c]5([c]6([c]1(C)[Y]12456(C#C[Si](C)(C)C)([C](#C[Si](C)(C)C)[Y]2456([c]7([c]2([c]4([c]25c4ccccc4c4ccccc4[c]672)C)C)C)(C#C[Si](C)(C)C)([C]1#C[Si](C)(C)C)[O]1CCCC1)[O]1CCCC1)C)c1ccccc1c1ccccc31)C.Cc1ccccc1
• 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: 10.5591 ± 0.0012 Å
• b: 24.499 ± 0.003 Å
• c: 27.461 ± 0.003 Å
• α: 90°
• β: 100.724 ± 0.01°
• γ: 90°
• Cell volume: 6979.7 ± 1.4 ų
• Cell temperature: 89 ± 2 K
• Ambient diffraction temperature: 89 ± 2 K
• Number of distinct elements: 5
• 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: 0.0662
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.0849
• Weighted residual factors for all reflections included in the refinement: 0.0926
• 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: Yes
• Has Fobs: No