Information card for entry 4079502

Structure parameters

• Formula: C34 H40 B N8 Y
• Calculated formula: C34 H40 B N8 Y
• SMILES: [Y]1234567([n]8n([BH](n9[n]1c(C)cc9C)n1[n]2c(C)cc1C)c(cc8C)C)(Nc1c(C(=[NH]3)Cc2ccccc2)cccc1)[cH]1[cH]4[cH]5[cH]6[cH]71
• 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: 11.294 ± 0.005 Å
• b: 13.201 ± 0.005 Å
• c: 14.681 ± 0.006 Å
• α: 109.851 ± 0.005°
• β: 102.636 ± 0.005°
• γ: 106.224 ± 0.005°
• Cell volume: 1853.7 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0713
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1179
• Weighted residual factors for all reflections included in the refinement: 0.1233
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No