Information card for entry 7047634

Structure parameters

• Formula: C43 H39 B Cl F4 Fe N P2 Pd
• Calculated formula: C43 H39 B Cl F4 Fe N P2 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: 25.6324 ± 0.0012 Å
• b: 19.4838 ± 0.0008 Å
• c: 16.5874 ± 0.0007 Å
• α: 90°
• β: 112.617 ± 0.002°
• γ: 90°
• Cell volume: 7646.9 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 9
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0667
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0728
• Weighted residual factors for all reflections included in the refinement: 0.0801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No