Information card for entry 7024102

Structure parameters

• Formula: C57 H77 Cl2 O2 Zr
• Calculated formula: C57 H77 Cl2 O2 Zr
• Title of publication: Syntheses and structures of zirconium(IV) complexes supported by 2,6-di-adamantylaryloxide ligands and formation of arene-bridged dizirconium complexes with an inverse sandwich structure.
• Authors of publication: Watanabe, Takahito; Ishida, Yutaka; Matsuo, Tsukasa; Kawaguchi, Hiroyuki
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 2
• Pages of publication: 484 - 491
• a: 11.96 ± 0.002 Å
• b: 19.24 ± 0.004 Å
• c: 41.699 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9595 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0811
• Residual factor for significantly intense reflections: 0.0775
• Weighted residual factors for significantly intense reflections: 0.1159
• Weighted residual factors for all reflections included in the refinement: 0.117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.465
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No