Information card for entry 7046653

Structure parameters

• Formula: C54 H30 F6 N4 O8 W2
• Calculated formula: C54 H30 F6 N4 O8 W2
• Title of publication: Substituent effects in pyridyl-functionalized pyrylium salts, pyridines and λ³,σ²-phosphinines: a fundamental and systematic study.
• Authors of publication: Loibl, Antonia; Oschmann, Wiebke; Vogler, Maria; Pidko, Evgeny A.; Weber, Manuela; Wiecko, Jelena; Müller, Christian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 28
• Pages of publication: 9355 - 9366
• a: 14.5198 ± 0.0007 Å
• b: 17.24 ± 0.0009 Å
• c: 19.1014 ± 0.001 Å
• α: 90°
• β: 99.322 ± 0.0014°
• γ: 90°
• Cell volume: 4718.3 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100.02 K
• Number of distinct elements: 6
• 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: 0.0235
• Residual factor for significantly intense reflections: 0.0194
• Weighted residual factors for significantly intense reflections: 0.0423
• Weighted residual factors for all reflections included in the refinement: 0.0438
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No