Information card for entry 4319523

Structure parameters

• Formula: C30 H78 Cl Ho Li N3 O3 Si6
• Calculated formula: C30 H78 Cl Ho Li N3 O3 Si6
• SMILES: [Ho]([Cl][Li]([O](CC)CC)([O](CC)CC)[O](CC)CC)(N1[Si](CC[Si]1(C)C)(C)C)(N1[Si](CC[Si]1(C)C)(C)C)N1[Si](CC[Si]1(C)C)(C)C
• Title of publication: Synthesis and Single-Crystal X-ray Diffraction Examination of a Structurally Homologous Series of Tetracoordinate Heteroleptic Anionic Lanthanide Complexes: Ln{N[Si(CH3)2CH2CH2Si(CH3)2]}3(μ-Cl)Li(L)3 [Ln = Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb; (L)3= (THF)3, (Et2O)3, (THF)2(Et2O)]
• Authors of publication: Oliver Just; William S. Rees
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 1751 - 1755
• a: 12.7352 ± 0.0005 Å
• b: 20.7721 ± 0.0008 Å
• c: 18.8634 ± 0.0007 Å
• α: 90°
• β: 98.348 ± 0.001°
• γ: 90°
• Cell volume: 4937.2 ± 0.3 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: 0.047
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.0876
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No