Information card for entry 4069466

Structure parameters

• Formula: C35 H35 Fe N2 O3 P Pd
• Calculated formula: C35 H35 Fe N2 O3 P Pd
• SMILES: [Pd]12([P]([c]34[Fe]56789%10%11([cH]3[cH]5[cH]6[cH]47)[c]3([cH]8[cH]9[cH]%10[cH]%113)C(=O)N1CC(=O)OC)(c1ccccc1)c1ccccc1)[N](Cc1c2cccc1)(C)C
• Title of publication: Phosphinoferrocenyl Carboxamides Bearing Glycine Pendant Groups: Synthesis, Palladium(II) Complexes, and Catalytic Use in Polar and Aqueous Reaction Media
• Authors of publication: Tauchman, Jiří; Císařová, Ivana; Štěpnička, Petr
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 11
• Pages of publication: 3288
• a: 12.0143 ± 0.0002 Å
• b: 15.4376 ± 0.0002 Å
• c: 16.8762 ± 0.0002 Å
• α: 91.9417 ± 0.0009°
• β: 97.083 ± 0.001°
• γ: 100.177 ± 0.0009°
• Cell volume: 3052.34 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0398
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0648
• Weighted residual factors for all reflections included in the refinement: 0.0699
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No