Information card for entry 7000919

Structure parameters

• Formula: C34 H54 N14 Zr2
• Calculated formula: C34 H54 N14 Zr2
• Title of publication: Novel dinuclear dimethylamido-3,5-dimethylpyrazolato and tetranuclear dimethylamido-3,5-dimethylpyrazolato-polyoxo zirconium(iv) complexes. Synthesis and structural characterisation
• Authors of publication: Sanz, Martial; Mosquera, Marta E. G.; Cuenca, Tomás
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 14
• Pages of publication: 2616 - 2622
• a: 9.826 ± 0.003 Å
• b: 12.3772 ± 0.0008 Å
• c: 17.017 ± 0.004 Å
• α: 90°
• β: 106.779 ± 0.011°
• γ: 90°
• Cell volume: 1981.5 ± 0.8 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0988
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1385
• Weighted residual factors for all reflections included in the refinement: 0.1514
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No