Information card for entry 7011410

Structure parameters

• Formula: C58 H18 Au2 F30 Fe S2
• Calculated formula: C58 H18 Au2 F30 Fe S2
• SMILES: [S]([Au](c1c(F)c(F)c(F)c(c1F)F)(c1c(F)c(F)c(F)c(F)c1F)c1c(c(c(c(c1F)F)F)F)F)([c]12[cH]3[Fe]4567892([cH]([cH]36)[cH]14)[c]1([S]([Au](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(c(c(c(c2F)F)F)F)F)c2ccccc2)[cH]5[cH]7[cH]8[cH]91)c1ccccc1
• Title of publication: Gold and silver complexes with the ligands Fc(SPh)2 and Fc(SePh)2 (Fc = (η5-C5H4)2Fe)
• Authors of publication: Canales, Silvia; Crespo, Olga; Fortea, Angela; Gimeno, M. Concepción; Jones, Peter G.; Laguna, Antonio
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 10
• Pages of publication: 2250
• a: 10.6032 ± 0.0012 Å
• b: 9.6844 ± 0.001 Å
• c: 27.385 ± 0.003 Å
• α: 90°
• β: 94.836 ± 0.003°
• γ: 90°
• Cell volume: 2802 ± 0.5 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 6
• 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: 0.053
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0582
• Weighted residual factors for all reflections included in the refinement: 0.0664
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No