Information card for entry 7032359

Structure parameters

• Formula: C103 H134.5 N3.5 O16 W2
• Calculated formula: C103 H132.834 N3.5 O16 W2
• Title of publication: Ethyleneglycol tungsten complexes of calix[6 and 8]arenes: synthesis, characterization and ROP of ε-caprolactone.
• Authors of publication: Li, Yuanzhuo; Zhao, Ke-Qing; Feng, Chun; Elsegood, Mark R. J.; Prior, Timothy J.; Sun, Xinsen; Redshaw, Carl
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 36
• Pages of publication: 13612 - 13619
• a: 14.8901 ± 0.0011 Å
• b: 17.5516 ± 0.0013 Å
• c: 22.0164 ± 0.0016 Å
• α: 112.022 ± 0.0009°
• β: 105.391 ± 0.001°
• γ: 93.0486 ± 0.001°
• Cell volume: 5067.2 ± 0.6 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: 0.1172
• Residual factor for significantly intense reflections: 0.0763
• Weighted residual factors for significantly intense reflections: 0.1588
• Weighted residual factors for all reflections included in the refinement: 0.175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.6884 Å
• Diffraction radiation type: synchrotron
• Duplicate of: 7031772
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No