Information card for entry 4326939

Structure parameters

• Formula: C35 H37 B N7 S Y
• Calculated formula: C35 H37 B N7 S Y
• SMILES: [Y]1234567(SC(=[N]3c3ccccc3)C#Cc3ccccc3)([n]3n([BH](n8[n]1c(cc8C)C)n1[n]2c(cc1C)C)c(C)cc3C)[cH]1[cH]5[cH]6[cH]7[cH]41
• Title of publication: Synthesis, Structures, and Reactivity of Yttrium Alkyl and Alkynyl Complexes with Mixed TpMe2/Cp Ligands
• Authors of publication: Weiyin Yi; Jie Zhang; Meng Li; Zhenxia Chen; Xigeng Zhou
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 11813 - 11824
• a: 21.913 ± 0.007 Å
• b: 8.719 ± 0.003 Å
• c: 18.341 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3504 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.064
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.115
• Goodness-of-fit parameter for all reflections included in the refinement: 0.919
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No