Information card for entry 7113497

Structure parameters

• Formula: C70 H81 N2 O6 Zr
• Calculated formula: C70 H79.6 N2 O6 Zr
• Title of publication: Isolation and characterisation of transition and main group metal complexes supported by hydrogen-bonded zwitterionic polyphenolic ligands
• Authors of publication: Davidson, Matthew G.; Doherty, Cheryl L.; Johnson, Andrew L.; Mahon, Mary F.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 15
• Pages of publication: 1832 - 1833
• a: 11.338 ± 0.0003 Å
• b: 11.768 ± 0.0003 Å
• c: 12.886 ± 0.0004 Å
• α: 82.058 ± 0.001°
• β: 83.645 ± 0.001°
• γ: 73.389 ± 0.001°
• Cell volume: 1627.17 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0583
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1392
• Weighted residual factors for all reflections included in the refinement: 0.1462
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7103808
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No