Information card for entry 7203538

Structure parameters

• Formula: C40 H44 F N O3 Pd
• Calculated formula: C40 H44 F N O3 Pd
• Title of publication: Orthometallated palladium(<small>II</small>) imine complexes as candidate materials for the biaxial nematic phase. Crystal and molecular structure of three palladium imine complexes
• Authors of publication: Viorel Cîrcu; Timothy J. K. Gibbs; Laurent Omnès; Peter N. Horton; Michael B. Hursthouse; Duncan W. Bruce
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2006
• Journal volume: 16
• Journal issue: 44
• Pages of publication: 4316
• a: 7.2597 ± 0.0003 Å
• b: 16.848 ± 0.002 Å
• c: 27.261 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3334.3 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0258
• Residual factor for significantly intense reflections: 0.0232
• Weighted residual factors for significantly intense reflections: 0.0528
• Weighted residual factors for all reflections included in the refinement: 0.0537
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No