Information card for entry 7025833

Structure parameters

• Formula: C40 H33 Br Fe P2 Pd
• Calculated formula: C40 H33 Br Fe P2 Pd
• SMILES: [c]12([cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]8[cH]7[cH]6[cH]12)[P](c1ccccc1)(c1ccccc1)[Pd]1(c2c(cccc2)[P]1(c1ccccc1)c1ccccc1)Br
• 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: 10.5519 ± 0.0005 Å
• b: 17.1919 ± 0.0009 Å
• c: 36.2298 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6572.3 ± 0.6 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0458
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0879
• Weighted residual factors for all reflections included in the refinement: 0.0939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No