Information card for entry 7702256

Structure parameters

• Formula: C25 H25 Fe N O2.5 P
• Calculated formula: C25 H25 Fe N O2.5 P
• 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: 8.5987 ± 0.0003 Å
• b: 11.4331 ± 0.0004 Å
• c: 12.2092 ± 0.0005 Å
• α: 80.142 ± 0.001°
• β: 71.848 ± 0.001°
• γ: 75.265 ± 0.001°
• Cell volume: 1097.5 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.037
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0724
• Weighted residual factors for all reflections included in the refinement: 0.0759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No