Information card for entry 4079503

Structure parameters

• Formula: C43 H59 B N12 O P Y
• Calculated formula: C35 H47 B N13 O P Y
• SMILES: [Y]1234([O]=P(N(C)C)(N(C)C)N(C)C)(Nc5c(c6nc7c(c([n]16)N2)cccc7)cccc5)[n]1n([BH](n2[n]3c(C)cc2C)n2[n]4c(C)cc2C)c(cc1C)C
• 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: 17.834 ± 0.008 Å
• b: 14.41 ± 0.006 Å
• c: 17.834 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4583 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1131
• Residual factor for significantly intense reflections: 0.085
• Weighted residual factors for significantly intense reflections: 0.2306
• Weighted residual factors for all reflections included in the refinement: 0.2477
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No