Information card for entry 7011413

Structure parameters

• Formula: C41 H33 Ag F3 Fe O3 P S Se2
• Calculated formula: C41 H33 Ag F3 Fe O3 P S Se2
• SMILES: [Ag]1([Se]([c]23[Fe]456789%10([cH]2[cH]4[cH]5[cH]36)[c]2([Se]1c1ccccc1)[cH]7[cH]8[cH]9[cH]%102)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)OS(=O)(=O)C(F)(F)F
• 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: 24.083 ± 0.008 Å
• b: 16.552 ± 0.005 Å
• c: 9.808 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3910 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 9
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0765
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1363
• Weighted residual factors for all reflections included in the refinement: 0.1567
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No