Information card for entry 7047636

Structure parameters

• Formula: C42 H36 Cl Fe N P2 Pd
• Calculated formula: C42 H36 Cl 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: 9.9066 ± 0.0003 Å
• b: 29.9557 ± 0.0011 Å
• c: 11.6226 ± 0.0004 Å
• α: 90°
• β: 90.081 ± 0.001°
• γ: 90°
• Cell volume: 3449.1 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0398
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0623
• Weighted residual factors for all reflections included in the refinement: 0.066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No