Information card for entry 4085401

Structure parameters

• Formula: C37 H53 B10 Dy N2 O2 S
• Calculated formula: C37 H53 B10 Dy N2 O2 S
• SMILES: [Dy]123456(SC(=[N]1c1c(cccc1C)C)Cc1ccccc1N(C)C)([O]1CCCC1)([O]1CCCC1)[C]1789[C]%10%11%12([c]%132[cH]3[cH]4[c]25cccc[c]6%132)[BH]231[BH]14%10[BH]56%11[BH]%107%12[BH]7%116[BH]645[BH]431[BH]182[BH]9%107[BH]%11641
• 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: 10.2428 ± 0.0011 Å
• b: 14.9154 ± 0.0016 Å
• c: 15.7149 ± 0.0017 Å
• α: 108.948 ± 0.002°
• β: 91.155 ± 0.002°
• γ: 103.8 ± 0.002°
• Cell volume: 2192.7 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0756
• Residual factor for significantly intense reflections: 0.0727
• Weighted residual factors for significantly intense reflections: 0.2068
• Weighted residual factors for all reflections included in the refinement: 0.2077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.164
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No