Information card for entry 4069463

Structure parameters

• Formula: C54 H50 Cl14 Fe2 N4 O4 P2 Pd
• Calculated formula: C54 H50 Cl14 Fe2 N4 O4 P2 Pd
• SMILES: [P]([c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[c]2([cH]1[cH]6[cH]7[cH]82)C(=O)NCC(=O)N)([Pd]([P]([c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[c]2([cH]1[cH]6[cH]7[cH]82)C(=O)NCC(=O)N)(c1ccccc1)c1ccccc1)(Cl)Cl)(c1ccccc1)c1ccccc1.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• 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: 9.2009 ± 0.0003 Å
• b: 12.6363 ± 0.0004 Å
• c: 14.8709 ± 0.0004 Å
• α: 104.651 ± 0.002°
• β: 105.531 ± 0.002°
• γ: 92.374 ± 0.002°
• Cell volume: 1600.59 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0711
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1198
• Weighted residual factors for all reflections included in the refinement: 0.1317
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No