Information card for entry 4300045

Structure parameters

• Formula: C71 H65 Ag Cl2 F3 Fe3 O3 P3 S
• Calculated formula: C71 H65 Ag Cl2 F3 Fe3 O3 P3 S
• SMILES: [Ag]([P](c1ccccc1)(c1ccccc1)C[c]12[cH]3[Fe]4567891([cH]3[cH]4[cH]25)[cH]1[cH]6[cH]7[cH]8[cH]91)([P](c1ccccc1)(c1ccccc1)C[c]12[cH]3[Fe]4567891([cH]3[cH]4[cH]25)[cH]1[cH]9[cH]8[cH]7[cH]61)[P](c1ccccc1)(c1ccccc1)C[c]12[cH]3[Fe]4567891([cH]3[cH]4[cH]25)[cH]1[cH]9[cH]8[cH]7[cH]61.C(Cl)Cl.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Gold and Silver Complexes with the Ferrocenyl Phosphine FcCH2PPh2 [Fc = (η5-C5H5)Fe(η5-C5H4)]
• Authors of publication: Eva M. Barranco; Olga Crespo; M. Concepción Gimeno; Antonio Laguna; Peter G. Jones; Birte Ahrens
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 680 - 687
• a: 12.692 ± 0.003 Å
• b: 18.467 ± 0.004 Å
• c: 28.693 ± 0.006 Å
• α: 90°
• β: 93.08 ± 0.02°
• γ: 90°
• Cell volume: 6715 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 9
• 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: 0.1912
• Residual factor for significantly intense reflections: 0.095
• Weighted residual factors for significantly intense reflections: 0.2323
• Weighted residual factors for all reflections included in the refinement: 0.278
• Goodness-of-fit parameter for all reflections included in the refinement: 0.878
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No