Information card for entry 4079496

Structure parameters

• Formula: C38 H47 B N7 O Y
• Calculated formula: C38 H47 B N7 O Y
• SMILES: [Y]123456([n]7n([BH](n8[n]1c(cc8C)C)n1[n]2c(cc1C)C)c(C)cc7C)(N/C(=C\c1ccccc1)c1ccccc1)([O]1CCCC1)[cH]1[cH]4[cH]5[cH]6[cH]31
• 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: 32.076 ± 0.009 Å
• b: 10.037 ± 0.003 Å
• c: 25.337 ± 0.007 Å
• α: 90°
• β: 105.284 ± 0.004°
• γ: 90°
• Cell volume: 7869 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.1228
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1102
• Weighted residual factors for all reflections included in the refinement: 0.124
• Goodness-of-fit parameter for all reflections included in the refinement: 0.743
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No