Information card for entry 7012371

Structure parameters

• Formula: C25 H24 Cl4 Fe N4 Pd
• Calculated formula: C25 H24 Cl4 Fe N4 Pd
• SMILES: [Pd]1(Cl)(Cl)[n]2c(C=N[c]34[cH]5[Fe]6789%10%113([cH]5[cH]6[cH]47)[c]3([cH]8[cH]9[cH]%10[cH]%113)N=Cc3[n]1c(ccc3)C)cccc2C.C(Cl)Cl
• Title of publication: Synthetic, spectroscopic and olefin oligomerisation studies on nickel and palladium complexes containing ferrocene substituted nitrogen donor ligands
• Authors of publication: Gibson, Vernon C.; Halliwell, Catherine M.; Long, Nicholas J.; Oxford, Philip J.; Smith, Andrew M.; White, Andrew J. P.; Williams, David J.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 5
• Pages of publication: 918
• a: 13.9829 ± 0.0009 Å
• b: 8.8915 ± 0.0005 Å
• c: 21.9911 ± 0.0013 Å
• α: 90°
• β: 107.042 ± 0.005°
• γ: 90°
• Cell volume: 2614.1 ± 0.3 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: 0.065
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for all reflections: 0.1133
• Weighted residual factors for significantly intense reflections: 0.093
• Goodness-of-fit parameter for all reflections: 1.021
• Goodness-of-fit parameter for significantly intense reflections: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No