Information card for entry 7002523

Structure parameters

• Formula: C99 H134 N2 O8 Zr2
• Calculated formula: C99 H134 N2 O8 Zr2
• Title of publication: Novel Ti(iv) and Zr(iv) complexes and their application in the ring-opening polymerisation of cyclic esters
• Authors of publication: Whitelaw, Emma L.; Jones, Matthew D.; Mahon, Mary F.; Kociok-Kohn, Gabriele
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 41
• Pages of publication: 9020 - 9025
• a: 12.714 ± 0.0002 Å
• b: 15.707 ± 0.0003 Å
• c: 22.687 ± 0.0004 Å
• α: 90°
• β: 91.647 ± 0.001°
• γ: 90°
• Cell volume: 4528.69 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0754
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0829
• Weighted residual factors for all reflections included in the refinement: 0.0946
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No