Information card for entry 7047632

Structure parameters

• Formula: C46 H49 Fe N O6 P2 Pd
• Calculated formula: C40 H37 Fe N O3 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: 9.7665 ± 0.0003 Å
• b: 11.6683 ± 0.0004 Å
• c: 17.554 ± 0.0007 Å
• α: 84.011 ± 0.002°
• β: 82.117 ± 0.001°
• γ: 77.953 ± 0.001°
• Cell volume: 1931.96 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.032
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.0592
• Weighted residual factors for all reflections included in the refinement: 0.0616
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No