Information card for entry 2009106

Structure parameters

• Formula: C9 H13 Cl5 O3 Zr
• Calculated formula: C18 H24 Cl10 O6 Zr2
• SMILES: c1(cc(OC)cc(c1)OC)OC.Cl[Zr]1(Cl)(Cl)([Cl][Zr](Cl)(Cl)([Cl]1)(Cl)Cl)Cl.c1c(cc(cc1OC)OC)OC
• Title of publication: The salt of the di-μ-chloro-bis[tetrachlorozirconium(IV)] anion with protonated 1,3,5-trimethoxybenzene as cation
• Authors of publication: Coles, Simon J.; Hursthouse, Michael B.; Kelly, David G.; Walker, Neil M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 11
• Pages of publication: 1789 - 1791
• a: 11.905 ± 0.002 Å
• b: 9.9448 ± 0.0014 Å
• c: 14.8508 ± 0.0015 Å
• α: 90°
• β: 110.079 ± 0.01°
• γ: 90°
• Cell volume: 1651.4 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for all reflections included in the refinement: 0.147
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes