Information card for entry 1559986

Structure parameters

• Chemical name: [(NNTBS)Yb(THF)]2
• Formula: C52 H92 Fe2 N4 O2 Si4 Yb2
• Calculated formula: C52 H92 Fe2 N4 O2 Si4 Yb2
• Title of publication: Distinct electronic structures and bonding interactions in inverse-sandwich samarium and ytterbium biphenyl complexes.
• Authors of publication: Xiao, Yuyuan; Zhao, Xiao-Kun; Wu, Tianpin; Miller, Jeffrey T.; Hu, Han-Shi; Li, Jun; Huang, Wenliang; Diaconescu, Paula L.
• Journal of publication: Chemical science
• Year of publication: 2020
• Journal volume: 12
• Journal issue: 1
• Pages of publication: 227 - 238
• a: 11.5553 ± 0.0005 Å
• b: 12.3812 ± 0.0006 Å
• c: 12.4512 ± 0.0006 Å
• α: 112.215 ± 0.005°
• β: 96.684 ± 0.004°
• γ: 113.262 ± 0.004°
• Cell volume: 1439.25 ± 0.16 ų
• Cell temperature: 179.99 ± 0.1 K
• Ambient diffraction temperature: 179.99 ± 0.1 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: 0.0845
• Residual factor for significantly intense reflections: 0.0752
• Weighted residual factors for significantly intense reflections: 0.1838
• Weighted residual factors for all reflections included in the refinement: 0.1914
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No