Information card for entry 7032358

Structure parameters

• Formula: C79.75 H98.75 N O14 W2
• Calculated formula: C79.803 H98.632 N O14 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: 19.7129 ± 0.0009 Å
• b: 13.6419 ± 0.0007 Å
• c: 31.4289 ± 0.0016 Å
• α: 90°
• β: 104.805 ± 0.005°
• γ: 90°
• Cell volume: 8171.3 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0901
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1246
• Weighted residual factors for all reflections included in the refinement: 0.1415
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7031771
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No