Information card for entry 7010857

Structure parameters

• Formula: C40 H28 F10 Fe O4 P2 Pd
• Calculated formula: C40 H28 F10 Fe O4 P2 Pd
• SMILES: [Pd]1(OC(=O)C(F)(F)C(F)(F)F)(OC(=O)C(F)(F)C(F)(F)F)[P]([c]23[Fe]456789%10([cH]2[cH]4[cH]5[cH]36)[cH]2[c]%10([cH]9[cH]8[cH]72)[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Pd(O2CCF2CF3-O)2(dppf) and PdAg(μ-O2CCF2CF3)2(O2CCF2CF3-O)(dppf) [dppf = 1,1'-bis(diphenylphosphino)ferrocene]: A stable Pd(II) phosphine carboxylate as a precursor to heterobimetallic carboxylates
• Authors of publication: Yew Chin Neo; Jagadese J. Vittal; T. S. Andy Hor
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 3
• Pages of publication: 337 - 342
• a: 12.7763 ± 0.001 Å
• b: 20.9449 ± 0.0015 Å
• c: 15.5108 ± 0.0012 Å
• α: 90°
• β: 110.99 ± 0.002°
• γ: 90°
• Cell volume: 3875.2 ± 0.5 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1192
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 0.824
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No