Information card for entry 2212739

Structure parameters

• Chemical name: Di-μ-chloro-bis[trichloro(4-chloroaniline)zirconium(IV)]
• Formula: C12 H12 Cl10 N2 Zr2
• Calculated formula: C12 H12 Cl10 N2 Zr2
• SMILES: c1(ccc(cc1)Cl)[NH2][Zr]1(Cl)(Cl)(Cl)[Cl][Zr]([NH2]c2ccc(cc2)Cl)([Cl]1)(Cl)(Cl)Cl
• Title of publication: Di-μ-chloro-bis[trichloro(4-chloroaniline)zirconium(IV)]
• Authors of publication: Wei, Hua; Li, Ya-Hong; Zhang, Yong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: m798 - m799
• a: 7.8434 ± 0.0014 Å
• b: 9.4373 ± 0.0014 Å
• c: 15.989 ± 0.003 Å
• α: 90°
• β: 99.372 ± 0.005°
• γ: 90°
• Cell volume: 1167.7 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• 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: 0.031
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes