Information card for entry 7038096

Structure parameters

• Formula: C38 H43 Au Cl Fe3 O0.5 P
• Calculated formula: C38 H43 Au Cl Fe3 O0.5 P
• SMILES: [Au](Cl)[P](CC[c]12[cH]3[Fe]4567891([cH]3[cH]4[cH]25)[cH]1[cH]6[cH]7[cH]8[cH]91)(CC[c]12[cH]3[Fe]4567891([cH]2[cH]4[cH]35)[cH]1[cH]6[cH]7[cH]8[cH]91)CC[c]12[cH]3[Fe]4567891([cH]3[cH]4[cH]25)[cH]1[cH]6[cH]7[cH]8[cH]91.O1CCCC1
• Title of publication: Coinage metal coordination chemistry of stable primary, secondary and tertiary ferrocenylethyl-based phosphines.
• Authors of publication: Azizpoor Fard, M.; Rabiee Kenaree, A.; Boyle, P. D.; Ragogna, P. J.; Gilroy, J. B.; Corrigan, J. F.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 7
• Pages of publication: 2868 - 2880
• a: 15.675 ± 0.004 Å
• b: 16.981 ± 0.003 Å
• c: 17.021 ± 0.003 Å
• α: 118.147 ± 0.009°
• β: 91.603 ± 0.007°
• γ: 115.305 ± 0.008°
• Cell volume: 3458.4 ± 1.3 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0503
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.1244
• Goodness-of-fit parameter for all reflections included in the refinement: 1.157
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No