Information card for entry 1559989

Structure parameters

• Chemical name: Yb2-K2-biph
• Formula: C64 H106 Fe2 K2 N4 O2 Si4 Yb2
• Calculated formula: C64 H106 Fe2 K2 N4 O2 Si4 Yb2
• SMILES: c1cc(ccc1)c2ccccc2.[Yb]1[N]([K][O](CC)CC)([c]23[cH]4[cH]5[cH]6[cH]3[Fe]37892456[cH]2[c]7(N1[Si](C)(C)C(C)(C)C)[cH]9[cH]8[cH]32)[Si](C)(C)C(C)(C)C.[Yb]1[N]([K][O](CC)CC)([c]23[cH]4[cH]5[Fe]6789%1034([cH]2[cH]5%10)[cH]2[c]9(N1[Si](C)(C)C(C)(C)C)[cH]8[cH]7[cH]62)[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: 13.2467 ± 0.0016 Å
• b: 18.78 ± 0.002 Å
• c: 14.5436 ± 0.0017 Å
• α: 90°
• β: 100.579 ± 0.001°
• γ: 90°
• Cell volume: 3556.6 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0365
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0645
• Weighted residual factors for all reflections included in the refinement: 0.0667
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No