Information card for entry 7002363

Structure parameters

• Formula: C174 H151 Au6 Cu2 F12 Fe6 O3 P8
• Calculated formula: C171 H144 Au6 Cu2 F12.06 Fe6 O3 P8.01
• Title of publication: Synthesis, electrochemical and theoretical studies of the Au(i)-Cu(i) heterometallic clusters bearing ferrocenyl groups
• Authors of publication: Koshevoy, Igor O.; Smirnova, Ekaterina S.; Doménech, Antonio; Karttunen, Antti J.; Haukka, Matti; Tunik, Sergey P.; Pakkanen, Tapani A.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 39
• Pages of publication: 8392 - 8398
• a: 24.7994 ± 0.0003 Å
• b: 24.7994 ± 0.0003 Å
• c: 46.14 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 24574.8 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 8
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.065
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.0956
• Weighted residual factors for all reflections included in the refinement: 0.1025
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No