Information card for entry 7714157

Structure parameters

• Formula: C38 H36 Cl Fe N2 P Pd
• Calculated formula: C38 H36 Cl Fe N2 P Pd
• SMILES: [Pd]1(C(=N[c]23[cH]4[Fe]56789%102([cH]4[cH]5[cH]36)[cH]2[cH]7[cH]8[cH]9[cH]%102)c2c(cccc2)C[N]1(C)C)(Cl)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 21.4864 ± 0.0007 Å
• b: 15.0931 ± 0.0005 Å
• c: 10.2377 ± 0.0003 Å
• α: 90°
• β: 103.377 ± 0.001°
• γ: 90°
• Cell volume: 3229.97 ± 0.18 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0502
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0664
• Weighted residual factors for all reflections included in the refinement: 0.0712
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No