Information card for entry 4079498

Structure parameters

• Formula: C41 H44 B N8 Y
• Calculated formula: C41 H44 B N8 Y
• SMILES: [Y]1234567([n]8n([BH](n9[n]1c(cc9C)C)n1[n]2c(cc1C)C)c(C)cc8C)([N](=C(N3)c1ccccc1)C(=C\c1ccccc1)/c1ccccc1)[cH]1[cH]4[cH]7[cH]6[cH]51
• Title of publication: Reactivity of Scorpionate-Anchored Yttrium Alkyl Complex toward Organic Nitriles
• Authors of publication: Yi, Weiyin; Zhang, Jie; Chen, Zhenxia; Zhou, Xigeng
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 20
• Pages of publication: 7213
• a: 17.096 ± 0.003 Å
• b: 10.5725 ± 0.0018 Å
• c: 21.31 ± 0.004 Å
• α: 90°
• β: 96.693 ± 0.002°
• γ: 90°
• Cell volume: 3825.5 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0837
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.1279
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No