Information card for entry 7114837

Structure parameters

• Common name: [16]aneS4-bisanisate-Pd(II)
• Formula: C28 H36 B2 F8 O6 Pd S4
• Calculated formula: C28 H36 B2 F7.988 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: 12.832 ± 0.005 Å
• b: 10.224 ± 0.007 Å
• c: 13.609 ± 0.007 Å
• α: 90 ± 0.05°
• β: 107.72 ± 0.03°
• γ: 90 ± 0.05°
• Cell volume: 1700.7 ± 1.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0761
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for all reflections: 0.0922
• Weighted residual factors for significantly intense reflections: 0.0797
• Goodness-of-fit parameter for all reflections: 1.034
• Goodness-of-fit parameter for significantly intense reflections: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No