Information card for entry 4003186

Structure parameters

• Formula: C0.71 O2 Si
• Calculated formula: C0.541667 O2.33333 Si
• Title of publication: High Pressure Synthesis of All-Transoid Polycarbonyl [—(C═O)—]n in a Zeolite
• Authors of publication: Santoro, Mario; Dziubek, Kamil; Scelta, Demetrio; Ceppatelli, Matteo; Gorelli, Federico A.; Bini, Roberto; Thibaud, Jean-Marc; Di Renzo, Francesco; Cambon, Olivier; Rouquette, Jerome; Hermet, Patrick; van der Lee, Arie; Haines, Julien
• Journal of publication: Chemistry of Materials
• Year of publication: 2015
• Journal volume: 27
• Journal issue: 19
• Pages of publication: 6486
• a: 19.988 ± 0.001 Å
• b: 19.988 ± 0.001 Å
• c: 13.3947 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5351.5 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.104
• Residual factor for significantly intense reflections: 0.0918
• Weighted residual factors for significantly intense reflections: 0.2453
• Weighted residual factors for all reflections included in the refinement: 0.259
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No