Information card for entry 7121187

Structure parameters

• Formula: C14 H17 F6 N2 O P
• Calculated formula: C14 H17 F6 N2 O P
• Title of publication: Synthesis, structure and N-N bonding character of 1,1-disubstituted indazolium hexafluorophosphate.
• Authors of publication: Ning, Yingtang; Kawahata, Masatoshi; Yamaguchi, Kentaro; Otani, Yuko; Ohwada, Tomohiko
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 15
• Pages of publication: 1881 - 1884
• a: 9.3512 ± 0.0009 Å
• b: 14.2117 ± 0.0014 Å
• c: 12.5086 ± 0.0012 Å
• α: 90°
• β: 110.717 ± 0.002°
• γ: 90°
• Cell volume: 1554.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0529
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1277
• Weighted residual factors for all reflections included in the refinement: 0.1287
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No