Information card for entry 7111138

Structure parameters

• Formula: C41.5 H45 Cl9 Fe2 Pd2 S4
• Calculated formula: C41.5 H44 Cl9 Fe2 Pd2 S4
• Title of publication: New unsymmetrical thioether- and thiolate-substituted ferrocene ligands and an unusual bridged-Pd dimer complex
• Authors of publication: Gibson, Vernon C.; Long, Nicholas J.; White, Andrew J. P.; Williams, Charlotte K.; Williams, David J.
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 23
• Pages of publication: 2359
• a: 16.411 ± 0.004 Å
• b: 14.897 ± 0.003 Å
• c: 22.093 ± 0.004 Å
• α: 90°
• β: 95.055 ± 0.012°
• γ: 90°
• Cell volume: 5380 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1748
• Residual factor for significantly intense reflections: 0.0784
• Weighted residual factors for all reflections: 0.2196
• Weighted residual factors for significantly intense reflections: 0.1612
• Goodness-of-fit parameter for all reflections: 0.989
• Goodness-of-fit parameter for significantly intense reflections: 1.144
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No