Information card for entry 4326933

Structure parameters

• Formula: C52 H68 B N8 Y
• Calculated formula: C52 H68 B N8 Y
• SMILES: [Y]1234567([N](=C(N1c1c(cccc1C(C)C)C(C)C)Cc1ccccc1)c1c(cccc1C(C)C)C(C)C)([n]1n([BH](n8[n]2c(C)cc8C)n2[n]3c(cc2C)C)c(cc1C)C)[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: 49.363 ± 0.019 Å
• b: 49.363 ± 0.013 Å
• c: 10.871 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 22941 ± 14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1106
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1137
• Weighted residual factors for all reflections included in the refinement: 0.1316
• Goodness-of-fit parameter for all reflections included in the refinement: 0.784
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No