Information card for entry 7047628

Structure parameters

• Formula: C46 H40 Cl7 Fe N P2 Pd
• Calculated formula: C46 H40 Cl7 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: 11.9324 ± 0.0005 Å
• b: 14.1508 ± 0.0007 Å
• c: 15.7966 ± 0.0007 Å
• α: 108.821 ± 0.002°
• β: 101.045 ± 0.002°
• γ: 109.24 ± 0.002°
• Cell volume: 2247.35 ± 0.19 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0296
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.0579
• Weighted residual factors for all reflections included in the refinement: 0.0602
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No