Information card for entry 4069464

Structure parameters

• Formula: C35 H36 Cl Fe N2 O3 P Pd
• Calculated formula: C35 H36 Cl Fe N2 O3 P Pd
• SMILES: [Pd]1(Cl)([P]([c]23[Fe]456789%10([cH]2[cH]4[cH]5[cH]36)[c]2([cH]7[cH]8[cH]9[cH]%102)C(=O)NCC(=O)OC)(c2ccccc2)c2ccccc2)[N](Cc2c1cccc2)(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: 17.1588 ± 0.0001 Å
• b: 14.1784 ± 0.0002 Å
• c: 26.8028 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6520.7 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0412
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.0688
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No