Information card for entry 7226119

Structure parameters

• Formula: C73 H98 N2 O10 W
• Calculated formula: C73 H98 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: 14.439 ± 0.001 Å
• b: 18.945 ± 0.001 Å
• c: 26.776 ± 0.002 Å
• α: 90°
• β: 104.056 ± 0.004°
• γ: 90°
• Cell volume: 7105.2 ± 0.8 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0819
• Residual factor for significantly intense reflections: 0.0782
• Weighted residual factors for significantly intense reflections: 0.1989
• Weighted residual factors for all reflections included in the refinement: 0.2007
• Goodness-of-fit parameter for all reflections included in the refinement: 1.208
• Diffraction radiation wavelength: 0.7 Å
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No