Information card for entry 7704239

Structure parameters

• Formula: C17 H36 F3 N4 O3 P2 S Sb
• Calculated formula: C17 H36 F3 N4 O3 P2 S Sb
• SMILES: [Sb]12(OS(=O)(=O)C(F)(F)F)[N]3(P(N(C(C)(C)C)P3N2C(C)(C)C)N1C(C)(C)C)C(C)(C)C
• Title of publication: Covalent and ionic bonding in bi- and tricyclic Group 15 amides: equidistant P-I and As-I bonds and fluxional cations.
• Authors of publication: Musongong, Joseph T.; Otang, Mathew E.; Mash, Brandon L.; Zeller, Matthias; Stahl, Lothar
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 19
• Pages of publication: 6341 - 6354
• a: 9.7212 ± 0.0003 Å
• b: 18.601 ± 0.0005 Å
• c: 15.2849 ± 0.0004 Å
• α: 90°
• β: 100.53 ± 0.0012°
• γ: 90°
• Cell volume: 2717.33 ± 0.13 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• 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: 0.0518
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0807
• Weighted residual factors for all reflections included in the refinement: 0.0859
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0568
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No