Information card for entry 4339919

Structure parameters

• Formula: C56 H75 N3 O5 Zr
• Calculated formula: C56 H46 N3 O5 Zr
• Title of publication: Synthesis and reactivity of metal complexes supported by the tetradentate monoanionic ligand bis(2-picolyl)(2-hydroxy-3,5-di-tert-butylbenzyl)amide (BPPA).
• Authors of publication: Chomitz, Wayne A.; Minasian, Stefan G.; Sutton, Andrew D.; Arnold, John
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 17
• Pages of publication: 7199 - 7209
• a: 9.536 ± 0.002 Å
• b: 10.359 ± 0.002 Å
• c: 28.345 ± 0.004 Å
• α: 98.173 ± 0.002°
• β: 92.209 ± 0.002°
• γ: 110.14 ± 0.002°
• Cell volume: 2590.5 ± 0.8 ų
• Cell temperature: 141.2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0854
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for all reflections: 0.0763
• Weighted residual factors for all reflections included in the refinement: 0.071
• Goodness-of-fit parameter for all reflections included in the refinement: 2.031
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No