Information card for entry 7703190

Structure parameters

• Formula: C70 H64 B2 Cl22 F8 Fe2 N6 P2 Pd2
• Calculated formula: C64 H58 B2 Cl4 F8 Fe2 N6 P2 Pd2
• 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: 12.7439 ± 0.0006 Å
• b: 13.7121 ± 0.0007 Å
• c: 14.1452 ± 0.0007 Å
• α: 74.101 ± 0.002°
• β: 72.724 ± 0.002°
• γ: 82.338 ± 0.002°
• Cell volume: 2266.4 ± 0.2 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: 0.0303
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0623
• Weighted residual factors for all reflections included in the refinement: 0.0644
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No