Information card for entry 7702257

Structure parameters

• Formula: C55 H58 Cl5 Fe2 I2 N2 O2 P2 Pd
• Calculated formula: C55 H58 Cl5 Fe2 I2 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: 9.9817 ± 0.0003 Å
• b: 12.5696 ± 0.0003 Å
• c: 24.8429 ± 0.0006 Å
• α: 104.189 ± 0.001°
• β: 91.525 ± 0.001°
• γ: 106.34 ± 0.001°
• Cell volume: 2884.45 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0407
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0734
• Weighted residual factors for all reflections included in the refinement: 0.0782
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No