Information card for entry 7714161

Structure parameters

• Formula: C22 H27 Cl Fe N P Pd S
• Calculated formula: C22 H27 Cl Fe N P Pd S
• SMILES: [Pd]1(C(=N[c]23[cH]4[Fe]56789%102([cH]4[cH]5[cH]36)[cH]2[cH]%10[cH]9[cH]8[cH]72)c2c(cccc2)C[S]1C)(Cl)[P](C)(C)C
• Title of publication: Synthesis and reactivity of Pd(II) imidoyl complexes obtained by insertion of isocyanoferrocene into the Pd-C bonds of orthopalladated precursors
• Authors of publication: Franc, Michal; Vosahlo, Petr; Schulz, Jiří; Cisarova, Ivana; Štěpnička, Petr
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 8.9162 ± 0.0005 Å
• b: 17.4114 ± 0.0009 Å
• c: 15.0731 ± 0.0007 Å
• α: 90°
• β: 104.774 ± 0.002°
• γ: 90°
• Cell volume: 2262.6 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• 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: 0.0241
• Residual factor for significantly intense reflections: 0.0222
• Weighted residual factors for significantly intense reflections: 0.0536
• Weighted residual factors for all reflections included in the refinement: 0.0545
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No