Information card for entry 4326940

Structure parameters

• Formula: C33 H45 B N7 O Y
• Calculated formula: C33 H45 B N7 O Y
• SMILES: [Y]123456([n]7n([BH](n8[n]1c(C)cc8C)n1[n]2c(C)cc1C)c(cc7C)C)(Nc1ccccc1CC=C)([cH]1[cH]3[cH]4[cH]5[cH]61)[O]1CCCC1
• 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: 10.957 ± 0.005 Å
• b: 12.032 ± 0.006 Å
• c: 13.2 ± 0.007 Å
• α: 93.843 ± 0.007°
• β: 94.354 ± 0.007°
• γ: 106.606 ± 0.007°
• Cell volume: 1655.6 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0999
• Residual factor for significantly intense reflections: 0.0695
• Weighted residual factors for significantly intense reflections: 0.2035
• Weighted residual factors for all reflections included in the refinement: 0.2187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No