Information card for entry 7702262

Structure parameters

• Formula: C52 H51 Cl2 Fe2 N3 O2 P2 Pd
• Calculated formula: C52 H51 Cl2 Fe2 N3 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: 22.3817 ± 0.0005 Å
• b: 9.5691 ± 0.0002 Å
• c: 22.7215 ± 0.0005 Å
• α: 90°
• β: 94.3249 ± 0.0008°
• γ: 90°
• Cell volume: 4852.47 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0692
• Weighted residual factors for all reflections included in the refinement: 0.0767
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No