Information card for entry 4318165

Structure parameters

• Common name: [{Zr(PhBO2)(C5H5)2}2]
• Formula: C32 H30 B2 O4 Zr2
• Calculated formula: C32 H30 B2 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: 8.207 ± 0.0002 Å
• b: 17.2306 ± 0.0003 Å
• c: 20.811 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2942.92 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0351
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0849
• Weighted residual factors for all reflections included in the refinement: 0.0867
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No