Information card for entry 4318167

Structure parameters

• Common name: [{ZrCp2(O2BC6F5)}2]
• Formula: C32 H20 B2 F10 O4 Zr2
• Calculated formula: C32 H20 B2 F10 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: 7.6289 ± 0.0005 Å
• b: 10.7594 ± 0.0007 Å
• c: 10.7876 ± 0.0008 Å
• α: 116.618 ± 0.004°
• β: 104.393 ± 0.003°
• γ: 92.155 ± 0.004°
• Cell volume: 755.35 ± 0.1 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: 0.0429
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0864
• Weighted residual factors for all reflections included in the refinement: 0.0914
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No