Information card for entry 4315064

Structure parameters

• Formula: C116 H190 B2 Cl4 Li2 N4 O14 Y2
• Calculated formula: C116 H190 B2 Cl4 Li2 N4 O14 Y2
• SMILES: B1(c2ccccc2)N(c2c(C(C)C)cccc2C(C)C)[Y]2(Cl)(N1c1c(C(C)C)cccc1C(C)C)([O]1CCCC1)[Cl][Y]1(N(c3c(cccc3C(C)C)C(C)C)B(c3ccccc3)N1c1c(cccc1C(C)C)C(C)C)([O]1CCCC1)(Cl)[Cl]2.O1CCCC1.O1CCCC1.O1CCCC1.[Li]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1.[Li]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1.O1CCCC1
• Title of publication: Lanthanide Complexes of Boraamidinate Ligands: Synthesis and X-ray Structures of {[Li(THF)4][bamLnCl2(THF)]}2 (bam= [PhB(NDipp)2]2-; Ln = Y, Pr, Nd, Sm, Ho, Er, Yb) and {bamLnCl(THF)2}2 (Ln = Y, Sm)
• Authors of publication: Andrea M. Corrente; Tristram Chivers
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 2457 - 2463
• a: 13.385 ± 0.003 Å
• b: 21.503 ± 0.004 Å
• c: 22.053 ± 0.004 Å
• α: 90°
• β: 102.88 ± 0.03°
• γ: 90°
• Cell volume: 6188 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0949
• Residual factor for significantly intense reflections: 0.0646
• Weighted residual factors for significantly intense reflections: 0.1397
• Weighted residual factors for all reflections included in the refinement: 0.1569
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No