Information card for entry 2007180

Structure parameters

• Chemical name: [1,2-Di(methoxyethyl)cyclopentadienyl]-trichlorozirconium(IV)
• Formula: C11 H17 Cl3 O2 Zr
• Calculated formula: C11 H17 Cl3 O2 Zr
• SMILES: [Zr]123456(Cl)(Cl)(Cl)[c]7([cH]1[cH]2[cH]3[c]47CC[O]6C)CC[O]5C
• Title of publication: [1,2-Bis(2-methoxyethyl-<i>O</i>)-η^5^-cyclopentadienyl]trichlorozirconium(IV)
• Authors of publication: van der Zeijden, Adolphus A. H.; Mattheis, Chris; Fröhlich, Roland
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 4
• Pages of publication: 458 - 460
• a: 7.949 ± 0.001 Å
• b: 13.383 ± 0.003 Å
• c: 14.34 ± 0.004 Å
• α: 104.06 ± 0.02°
• β: 102.15 ± 0.02°
• γ: 95.93 ± 0.02°
• Cell volume: 1427.3 ± 0.6 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0578
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for all reflections: 0.1648
• Weighted residual factors for significantly intense reflections: 0.0978
• Goodness-of-fit parameter for all reflections: 1.189
• Goodness-of-fit parameter for significantly intense reflections: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No