Information card for entry 1557072

Structure parameters

• Formula: C20 H40 Cl5 Li O5 Zr
• Calculated formula: C20 Cl5 Li O5 Zr
• Title of publication: Formation of Tetrahydrofuran Adducts of LiZrCl5 in the Reaction of Li(NPh2) and ZrCl4: Crystal Structures of [Li(thf)4][ZrCl5(thf)] and Li(thf)3-mu-Cl-ZrCl4(thf).
• Authors of publication: Polamo, Mika; Leskela, Markku
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1997
• Journal volume: 51
• Pages of publication: 44 - 48
• a: 10.466 ± 0.009 Å
• b: 16.361 ± 0.009 Å
• c: 17.645 ± 0.007 Å
• α: 90°
• β: 105.59 ± 0.04°
• γ: 90°
• Cell volume: 2910 ± 3 ų
• Ambient diffraction temperature: 153 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0942
• Residual factor for significantly intense reflections: 0.0695
• Weighted residual factors for significantly intense reflections: 0.1711
• Weighted residual factors for all reflections included in the refinement: 0.1862
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No