Information card for entry 7052715

Structure parameters

• Formula: C14 H19 F6 N4 O2 P Pd
• Calculated formula: C14 H19 F6 N4 O2 P Pd
• Title of publication: Synthesis, characterization and co-ordination chemistry of dioxolanedipyrazoles
• Authors of publication: Jozak, Thomas; Sun, Yu; Thiel, Werner R.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2011
• Journal volume: 35
• Journal issue: 10
• Pages of publication: 2114
• a: 9.8264 ± 0.0002 Å
• b: 11.8915 ± 0.0002 Å
• c: 16.8036 ± 0.0004 Å
• α: 90°
• β: 100.463 ± 0.002°
• γ: 90°
• Cell volume: 1930.86 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0327
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0763
• Weighted residual factors for all reflections included in the refinement: 0.0768
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No