Information card for entry 7111482

Structure parameters

• Formula: C85 H121 Ga2 Li N4 O4 Zr
• Calculated formula: C85 H114 Ga2 Li N4 O4 Zr
• Title of publication: Evidence for the first oxidative insertion of a transition metal into a digallane(4): synthesis, structural characterisation and EPR studies of [Cp2ZrIII{Ga[N(Ar)C(H)]2}2][Li(THF)4], Ar = C6H3Pri2-2,6
• Authors of publication: Baker, Robert J.; Jones, Cameron; Murphy, Damien M.
• Journal of publication: Chemical Communications
• Year of publication: 2005
• Journal issue: 10
• Pages of publication: 1339 - 1341
• a: 15.171 ± 0.003 Å
• b: 21.373 ± 0.004 Å
• c: 26.866 ± 0.005 Å
• α: 90°
• β: 105.13 ± 0.03°
• γ: 90°
• Cell volume: 8409 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0818
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1326
• Weighted residual factors for all reflections included in the refinement: 0.1462
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No