Information card for entry 1559985

Structure parameters

• Chemical name: (NNTBS)Yb(THF)3
• Formula: C34 H62 Fe N2 O3 Si2 Yb
• Calculated formula: C34 H62 Fe N2 O3 Si2 Yb
• SMILES: [Fe]12345678([c]9([cH]1[cH]2[cH]3[cH]49)N([Yb]1([O]2CCCC2)([O]2CCCC2)[O]2CCCC2)[Si](C)(C)C(C)(C)C)[c]2([cH]5[cH]6[cH]7[cH]82)N1[Si](C)(C)C(C)(C)C
• 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: 13.9723 ± 0.0002 Å
• b: 15.8539 ± 0.0002 Å
• c: 16.9858 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3762.62 ± 0.08 ų
• Cell temperature: 180 ± 0.1 K
• Ambient diffraction temperature: 180 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0183
• Residual factor for significantly intense reflections: 0.0175
• Weighted residual factors for significantly intense reflections: 0.0397
• Weighted residual factors for all reflections included in the refinement: 0.0399
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No