Information card for entry 7106103

Structure parameters

• Formula: C89 H138 N6 O4 Yb2
• Calculated formula: C89 H138 N6 O4 Yb2
• SMILES: c12c(cc(cc1C[N]13Cc4c(c(cc(c4)C(C)(C)C)C(C)(C)C)O[Yb]4563([N](CC1)(C)C)[N](=[C]16=[N](C(C)C)[Yb]3671([O]24)[N](Cc1c(c(cc(c1)C(C)(C)C)C(C)(C)C)[O]65)(Cc1c(c(cc(c1)C(C)(C)C)C(C)(C)C)O7)CC[N]3(C)C)C(C)C)C(C)(C)C)C(C)(C)C.c1(ccccc1)C.c1(ccccc1)C
• Title of publication: The First Bridged Lanthanide Carbene Complex Formed through Reduction of Carbodiimide by amine Bis(phenolate )Ytterbium(II) Complex and Its Reactivity to Phenylisocyanate
• Authors of publication: Zhu Du; Hui Zhou; Haisheng Yao; Yong Zhang; Yingming Yao; Qi Shen
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 3595
• a: 39.054 ± 0.004 Å
• b: 10.6105 ± 0.0007 Å
• c: 28.611 ± 0.003 Å
• α: 90°
• β: 133.018 ± 0.002°
• γ: 90°
• Cell volume: 8668.3 ± 1.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0361
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0611
• Weighted residual factors for all reflections included in the refinement: 0.0634
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No