Information card for entry 7114835

Structure parameters

• Formula: C27 H34 B2 Cl2 F8 O6 Pd S4
• Calculated formula: C27 H34 B2 Cl2 F8 O6 Pd S4
• Title of publication: Metal-mediated formation of liquid crystals: synthesis, structural and thermal analysis of palladium(ii) complexes of crown thioether derivativesElectronic supplementary information (ESI) available: Figs. 1‒3 with full captions, Fig. 4: view of the packing of [Pd(7)][BF4]2. Fig. 5: schematic of undulating layers in [Pd(7)][BF4]2. See http://www.rsc.org/suppdata/cc/b1/b107027b/
• Authors of publication: Richtzenhain, Heiko; Blake, Alexander J.; Bruce, Duncan W.; Fallis, Ian A.; Li, Wan-Sheung; Schröder, Martin
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 24
• Pages of publication: 2580
• a: 11.17 ± 0.004 Å
• b: 11.157 ± 0.004 Å
• c: 16.055 ± 0.006 Å
• α: 71.02 ± 0.02°
• β: 81.38 ± 0.02°
• γ: 69.97 ± 0.02°
• Cell volume: 1775.9 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.108
• Residual factor for significantly intense reflections: 0.0719
• Weighted residual factors for all reflections: 0.204
• Weighted residual factors for significantly intense reflections: 0.172
• Goodness-of-fit parameter for all reflections: 1.027
• Goodness-of-fit parameter for significantly intense reflections: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No