Information card for entry 7226118

Structure parameters

• Formula: C73.6 H99.2 N2 O10 W
• Calculated formula: C73.6 H99.2 N2 O10 W
• Title of publication: Installing Tungsten Fischer Carbene Complexes into a Calixarene Framework
• Authors of publication: D'Acunto, Maria Antonietta; Tommasone, Stefano; Talotta, Carmen; Brancatelli, Giovanna; Geremia, Silvano; Valletta, Elena; Marino-Merlo, Francesca; Macchi, Beatrice; Gaeta, Carmine; Neri, Placido; Spinella, Aldo
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 10.582 ± 0.002 Å
• b: 26.982 ± 0.005 Å
• c: 25.802 ± 0.005 Å
• α: 90°
• β: 94.7 ± 0.03°
• γ: 90°
• Cell volume: 7342 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0335
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0795
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.7 Å
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No