Information card for entry 7703192

Structure parameters

• Formula: C60 H65 Au B Cl3 F4 Fe N5 P
• Calculated formula: C60 H65 Au B Cl3 F4 Fe N5 P
• Title of publication: Synthesis and characterisation of Pd(ii) and Au(i) complexes with mesoionic carbene ligands bearing phosphinoferrocene substituents and isomeric carbene moieites.
• Authors of publication: Škoch, Karel; Vosáhlo, Petr; Císařová, Ivana; Štěpnička, Petr
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 4
• Pages of publication: 1011 - 1021
• a: 12.1884 ± 0.0006 Å
• b: 12.2187 ± 0.0006 Å
• c: 21.4381 ± 0.001 Å
• α: 95.293 ± 0.002°
• β: 104.82 ± 0.002°
• γ: 105.068 ± 0.002°
• Cell volume: 2937 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0192
• Residual factor for significantly intense reflections: 0.0182
• Weighted residual factors for significantly intense reflections: 0.0449
• Weighted residual factors for all reflections included in the refinement: 0.0455
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No