Information card for entry 7032356

Structure parameters

• Formula: C70 H86 O11 W2
• Calculated formula: C70 H86 O11 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: 23.4741 ± 0.0008 Å
• b: 12.0721 ± 0.0004 Å
• c: 16.8073 ± 0.0005 Å
• α: 90°
• β: 116.734 ± 0.004°
• γ: 90°
• Cell volume: 4253.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0448
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0841
• Weighted residual factors for all reflections included in the refinement: 0.0881
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7031769
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No