Information card for entry 4326929

Structure parameters

• Formula: C31 H42 B N6 O Y
• Calculated formula: C31 H42 B N6 O Y
• SMILES: [Y]123456([n]7n([BH](n8[n]1c(cc8C)C)n1[n]2c(cc1C)C)c(cc7C)C)([O]1CCCC1)([cH]1[cH]3[cH]4[cH]5[cH]61)Cc1ccccc1
• 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: 18.215 ± 0.002 Å
• b: 10.7667 ± 0.0013 Å
• c: 17.888 ± 0.002 Å
• α: 90°
• β: 118.184 ± 0.002°
• γ: 90°
• Cell volume: 3092.2 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0716
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1106
• Weighted residual factors for all reflections included in the refinement: 0.1252
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No