Information card for entry 1559988

Structure parameters

• Chemical name: (NNTBS)Yb(k3-18C6)
• Formula: C34 H62 Fe N2 O6 Si2 Yb
• Calculated formula: C34 H62 Fe N2 O6 Si2 Yb
• 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: 11.3145 ± 0.0002 Å
• b: 13.0374 ± 0.0002 Å
• c: 14.2432 ± 0.0002 Å
• α: 87.291 ± 0.001°
• β: 81.628 ± 0.001°
• γ: 71.282 ± 0.002°
• Cell volume: 1968.71 ± 0.06 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: 0.0244
• Residual factor for significantly intense reflections: 0.0214
• Weighted residual factors for significantly intense reflections: 0.0533
• Weighted residual factors for all reflections included in the refinement: 0.0545
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No