Information card for entry 7113498

Structure parameters

• Formula: C54 H87 N O4 Zr
• Calculated formula: C54 H86 N O4 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: 14.581 ± 0.0001 Å
• b: 14.581 ± 0.0001 Å
• c: 25.419 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5404.22 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 78
• Hermann-Mauguin space group symbol: P 43
• Hall space group symbol: P 4cw
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0902
• Weighted residual factors for all reflections included in the refinement: 0.0958
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7103809
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No