Information card for entry 7711185

Structure parameters

• Formula: C36 H30 Cl Fe N O P2 Pd
• Calculated formula: C36 H30 Cl Fe N O P2 Pd
• SMILES: [Pd]12(Cl)[P]([c]34[Fe]56789%10%11([c]%12([cH]8[cH]7[cH]6[cH]5%12)N2C(=O)C[P]1(c1ccccc1)c1ccccc1)[cH]3[cH]9[cH]%10[cH]4%11)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis and coordination of hybrid phosphinoferrocenes with extended donor pendants
• Authors of publication: Navratil, Michal; Cisarova, Ivana; Štěpnička, Petr
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 11.3016 ± 0.0006 Å
• b: 12.1891 ± 0.0007 Å
• c: 12.2831 ± 0.0006 Å
• α: 72.953 ± 0.002°
• β: 88.173 ± 0.002°
• γ: 72.517 ± 0.002°
• Cell volume: 1540.07 ± 0.14 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0229
• Residual factor for significantly intense reflections: 0.0222
• Weighted residual factors for significantly intense reflections: 0.0574
• Weighted residual factors for all reflections included in the refinement: 0.058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No