Information card for entry 7058655

Structure parameters

• Formula: C16 H22 N4 O4 P2 Si W
• Calculated formula: C16 H22 N4 O4 P2 Si W
• Title of publication: Synthesis and coordination properties of new σ2,λ3-P/N switchable chelators based on [1,2,3]-diazaphosphole
• Authors of publication: Kozáček, Pavel; Dostál, Libor; Růžička, Aleš; Císařová, Ivana; Černošek, Zdeněk; Erben, Milan
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 34
• Pages of publication: 13388
• a: 8.8502 ± 0.0012 Å
• b: 9.8645 ± 0.0017 Å
• c: 26.01 ± 0.005 Å
• α: 90°
• β: 98.21 ± 0.005°
• γ: 90°
• Cell volume: 2247.5 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0757
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.0913
• Weighted residual factors for all reflections included in the refinement: 0.1009
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No