Information card for entry 4337037

Structure parameters

• Formula: C144 H120 Cl4 O40 Zr12
• Calculated formula: C144 H120 Cl3.9996 O40 Zr12
• Title of publication: In Situ Construction of a Coordination Zirconocene Tetrahedron
• Authors of publication: Guoliang Liu; Zhanfeng Ju; Daqiang Yuan; Maochun Hong
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 13815 - 13817
• a: 42.4069 ± 0.0018 Å
• b: 42.4069 ± 0.0018 Å
• c: 42.4069 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 76262 ± 6 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 5
• Space group number: 225
• Hermann-Mauguin space group symbol: F m -3 m
• Hall space group symbol: -F 4 2 3
• Residual factor for all reflections: 0.1952
• Residual factor for significantly intense reflections: 0.1006
• Weighted residual factors for significantly intense reflections: 0.2621
• Weighted residual factors for all reflections included in the refinement: 0.3066
• Goodness-of-fit parameter for all reflections included in the refinement: 0.867
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No