Information card for entry 7025831

Structure parameters

• Formula: C58 H39 F8 Fe I2 P3 Pd2
• Calculated formula: C58 H39 F8 Fe I2 P3 Pd2
• SMILES: [Pd]12([I][Pd](I)([P](c3ccccc3)(c3ccccc3)[c]34[cH]5[Fe]6789%10%113([cH]5[cH]6[cH]47)[cH]3[cH]%11[cH]%10[cH]9[cH]83)c3c([P]2(c2ccccc2)c2ccccc2)c(F)c(F)c(F)c3F)[P](c2c1c(F)c(F)c(F)c2F)(c1ccccc1)c1ccccc1
• 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: 14.185 ± 0.002 Å
• b: 19.347 ± 0.002 Å
• c: 20.54 ± 0.002 Å
• α: 90°
• β: 99.952 ± 0.005°
• γ: 90°
• Cell volume: 5552.1 ± 1.1 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2574
• Residual factor for significantly intense reflections: 0.1045
• Weighted residual factors for all reflections: 0.1506
• Weighted residual factors for significantly intense reflections: 0.0932
• Weighted residual factors for all reflections included in the refinement: 0.0932
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0894
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No