Information card for entry 4326938

Structure parameters

• Formula: C45 H62 B N8 O Y
• Calculated formula: C45 H54 B N8 O Y
• SMILES: [Y]1234567([n]8n([BH](n9[n]1c(C)cc9C)n1[n]2c(C)cc1C)c(cc8C)C)([N](C1CCCCC1)=C(N3C1CCCCC1)C#Cc1ccccc1)[cH]1[cH]4[cH]5[cH]6[cH]71.O1CCCC1
• 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: 10.981 ± 0.004 Å
• b: 23.551 ± 0.008 Å
• c: 17.615 ± 0.006 Å
• α: 90°
• β: 99.677 ± 0.005°
• γ: 90°
• Cell volume: 4491 ± 3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0994
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.154
• Weighted residual factors for all reflections included in the refinement: 0.1684
• Goodness-of-fit parameter for all reflections included in the refinement: 0.943
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No