Information card for entry 7703185

Structure parameters

• Formula: C33 H30 Cl4 Fe N3 P Pd
• Calculated formula: C33 H30 Cl4 Fe N3 P Pd
• 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: 17.8679 ± 0.0006 Å
• b: 18.4029 ± 0.0007 Å
• c: 20.6479 ± 0.0008 Å
• α: 90°
• β: 108.503 ± 0.002°
• γ: 90°
• Cell volume: 6438.5 ± 0.4 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: 0.0491
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0648
• Weighted residual factors for all reflections included in the refinement: 0.0708
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No