Information card for entry 7125508

Structure parameters

• Formula: C20 H18 F3 N O4 Pd
• Calculated formula: C20 H18 F3 N O4 Pd
• Title of publication: Specific molecular interactions in Pd(II) complexes identify a new approach to the biaxial nematic phase.
• Authors of publication: Omnès, L; Timimi, B. A.; Gelbrich, T.; Hursthouse, M. B.; Luckhurst, G. R.; Bruce, D. W.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2001
• Journal issue: 21
• Pages of publication: 2248 - 2249
• a: 12.8622 ± 0.0012 Å
• b: 17.3734 ± 0.0018 Å
• c: 8.6466 ± 0.0012 Å
• α: 90°
• β: 95.13 ± 0.03°
• γ: 90°
• Cell volume: 1924.4 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.19
• Residual factor for significantly intense reflections: 0.1235
• Weighted residual factors for significantly intense reflections: 0.2278
• Weighted residual factors for all reflections included in the refinement: 0.2482
• Goodness-of-fit parameter for all reflections included in the refinement: 1.192
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No