Information card for entry 7702259

Structure parameters

• Formula: C53 H50 Cl2 F6 Fe2 N2 O8 P2 Pd S2
• Calculated formula: C53 H50 Cl2 F6 Fe2 N2 O8 P2 Pd S2
• 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: 13.3402 ± 0.0003 Å
• b: 10.6845 ± 0.0002 Å
• c: 19.5177 ± 0.0004 Å
• α: 90°
• β: 97.843 ± 0.001°
• γ: 90°
• Cell volume: 2755.9 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 10
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0387
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0712
• Weighted residual factors for all reflections included in the refinement: 0.0743
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No