Information card for entry 7101459

Structure parameters

• Formula: C6 H12 Cl2 Pd S3
• Calculated formula: C6 H12 Cl2 Pd S3
• Title of publication: High pressure co-ordination chemistry of a palladium thioether complex: pressure versus electrons
• Authors of publication: A. Blake; David Allan; Deguang Huang; Timothy J. Prior; M. Schroder
• Journal of publication: Chemical Communications
• Year of publication: 2006
• Journal issue: 39
• a: 7.2357 ± 0.0009 Å
• b: 11.8141 ± 0.0012 Å
• c: 11.692 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 999.5 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Cell measurement pressure: 2350000 kPa
• Ambient diffracton pressure: 2350000 kPa
• Number of distinct elements: 5
• 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: 0.0404
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections included in the refinement: 0.0842
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.8406 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No