Information card for entry 4318166

Structure parameters

• Common name: [{Cp2Zr(O2BMes)}2].2(CH2Cl2}
• Formula: C40 H46 B2 Cl4 O4 Zr2
• Calculated formula: C40 H46 B2 Cl4 O4 Zr2
• Title of publication: Bimetallic Zirconium Heterocycles Supported by Boron-Oxygen Ligands
• Authors of publication: Jessica E. Balkwill; Sarah C. Cole; Martyn P. Coles; Peter B. Hitchcock
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 3548 - 3552
• a: 9.0114 ± 0.0004 Å
• b: 10.0372 ± 0.0005 Å
• c: 12.5709 ± 0.0006 Å
• α: 69.285 ± 0.002°
• β: 87.88 ± 0.003°
• γ: 76.756 ± 0.003°
• Cell volume: 1034.02 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0557
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.0955
• Weighted residual factors for all reflections included in the refinement: 0.1024
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No