Information card for entry 7702261

Structure parameters

• Formula: C56 H58 Cl6 Fe2 N2 O3 P2 Pd
• Calculated formula: C51 H47 Cl3 Fe2 N2 O2 P2 Pd
• Title of publication: Versatile coordination and C-H activation of a multi-donor phosphinoferrocene carboxamide ligand in Pd(ii) complexes.
• Authors of publication: Horký, Filip; Škoch, Karel; Císařová, Ivana; Štěpnička, Petr
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 43
• Pages of publication: 16412 - 16425
• a: 33.6489 ± 0.0011 Å
• b: 13.9071 ± 0.0004 Å
• c: 25.6588 ± 0.001 Å
• α: 90°
• β: 115.785 ± 0.002°
• γ: 90°
• Cell volume: 10811.7 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0473
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0933
• Weighted residual factors for all reflections included in the refinement: 0.1
• 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