Information card for entry 7714159

Structure parameters

• Formula: C24 H33 B Cl F4 Fe N2 P Pd
• Calculated formula: C24 H33 B Cl F4 Fe N2 P Pd
• SMILES: [Pd]1(=C(N([c]23[Fe]456789%10([cH]2[cH]4[cH]5[cH]36)[cH]2[cH]%10[cH]9[cH]8[cH]72)C)c2c(cccc2)C[N]1(C)C)(Cl)[P](C)(C)C.[B](F)(F)(F)[F-]
• 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: 14.8935 ± 0.0004 Å
• b: 10.3396 ± 0.0003 Å
• c: 17.0483 ± 0.0005 Å
• α: 90°
• β: 95.193 ± 0.001°
• γ: 90°
• Cell volume: 2614.54 ± 0.13 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 9
• 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: 0.0243
• Residual factor for significantly intense reflections: 0.0229
• Weighted residual factors for significantly intense reflections: 0.0599
• Weighted residual factors for all reflections included in the refinement: 0.061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No