Information card for entry 2219675

Structure parameters

• Chemical name: Pentacarbonyl-2κ<i>^5^C-</i>chlorido-1κ<i>Cl-</i>bis[1(η^5^)-\ cyclopentadienyl][μ~2~-oxido(methyl)methylene-1:2κ^2^<i>O</i>:<i>C</i>]\ tungsten(IV)zirconium(0)
• Formula: C17 H13 Cl O6 W Zr
• Calculated formula: C17 H13 Cl O6 W Zr
• Title of publication: Pentacarbonyl-2κ<i>^5^C-</i>chlorido-1κ<i>Cl-</i>bis[1(η^5^)-cyclopentadienyl][μ~2~-oxido(methyl)methylene-1:2κ^2^<i>O</i>:<i>C</i>]tungsten(0)zirconium(IV)
• Authors of publication: Esterhuysen, Catharine; Neveling, Arno; Luruli, Nyambeni; Kruger, Gert J.; Cronje, Stephanie
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 10
• Pages of publication: m1252
• a: 22.3794 ± 0.0008 Å
• b: 12.3852 ± 0.0007 Å
• c: 7.2404 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2006.85 ± 0.16 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0413
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0859
• Weighted residual factors for all reflections included in the refinement: 0.0922
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes