Information card for entry 7703189

Structure parameters

• Formula: C64 H58 B2 Cl2 F8 Fe2 N6 P2 Pd
• Calculated formula: C64 H58 B2 Cl2 F8 Fe2 N6 P2 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: 9.1285 ± 0.0004 Å
• b: 12.2213 ± 0.0005 Å
• c: 14.4803 ± 0.0005 Å
• α: 67.534 ± 0.001°
• β: 78.595 ± 0.002°
• γ: 86.467 ± 0.002°
• Cell volume: 1463.2 ± 0.1 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: 0.0578
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1186
• Weighted residual factors for all reflections included in the refinement: 0.1262
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No