Information card for entry 7025830

Structure parameters

• Formula: C40 H29 F4 Fe I P2 Pd
• Calculated formula: C40 H29 F4 Fe I P2 Pd
• SMILES: I[Pd]1([P](c2c1c(F)c(F)c(F)c2F)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)[c]12[Fe]3456789([cH]1[cH]3[cH]4[cH]25)[cH]1[cH]6[cH]7[cH]8[cH]91
• Title of publication: Synthesis, X-ray structure and electrochemical oxidation of palladium(II) complexes of ferrocenyldiphenylphosphine.
• Authors of publication: Bennett, Martin A.; Bhargava, Suresh K.; Bond, Alan M.; Burgar, Iko M.; Guo, Si-Xuan; Kar, Gopa; Privér, Steven H; Wagler, Jörg; Willis, Anthony C.; Torriero, Angel A. J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 38
• Pages of publication: 9079 - 9090
• a: 14.9111 ± 0.0007 Å
• b: 17.6801 ± 0.0008 Å
• c: 15.0706 ± 0.0006 Å
• α: 90°
• β: 115.165 ± 0.003°
• γ: 90°
• Cell volume: 3596 ± 0.3 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1078
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for all reflections: 0.1778
• Weighted residual factors for significantly intense reflections: 0.1543
• Weighted residual factors for all reflections included in the refinement: 0.1778
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No