Information card for entry 7047638

Structure parameters

• Formula: C32 H30 Cl Fe N2 P Pd
• Calculated formula: C32 H30 Cl Fe N2 P Pd
• Title of publication: Comparing the reactivity of isomeric phosphinoferrocene nitrile and isocyanide in Pd(ii) complexes: synthesis of simple coordination compounds vs. preparation of P-chelated insertion products and Fischer-type carbenes.
• Authors of publication: Škoch, Karel; Císařová, Ivana; Uhlík, Filip; Štěpnička, Petr
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 45
• Pages of publication: 16082 - 16101
• a: 15.3228 ± 0.0005 Å
• b: 9.4826 ± 0.0003 Å
• c: 19.3688 ± 0.0006 Å
• α: 90°
• β: 97.717 ± 0.001°
• γ: 90°
• Cell volume: 2788.8 ± 0.15 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: 0.0237
• Residual factor for significantly intense reflections: 0.0201
• Weighted residual factors for significantly intense reflections: 0.0511
• Weighted residual factors for all reflections included in the refinement: 0.0529
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No