Information card for entry 4085402

Structure parameters

• Formula: C80 H136 B20 N10 Si4 Y2
• Calculated formula: C80 H136 B20 N10 Si4 Y2
• Title of publication: Reactivity of Traditional Metal‒Carbon (Alkyl) versus Nontraditional Metal‒Carbon (Cage) Bonds in Organo-Rare-Earth Metal Complexes [η5:σ-(C9H6)(C2B10H10)]Ln(CH2C6H4-o-NMe2)(THF)2
• Authors of publication: Yang, Jingying; Xie, Zuowei
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 11
• Pages of publication: 2494
• a: 11.1235 ± 0.0006 Å
• b: 11.2597 ± 0.0006 Å
• c: 21.1798 ± 0.0012 Å
• α: 96.27 ± 0.001°
• β: 90.607 ± 0.001°
• γ: 94.888 ± 0.001°
• Cell volume: 2626.7 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0538
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.1145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No