Information card for entry 7008751

Structure parameters

• Formula: C47 H38 Ag F3 Fe O3 P2 S Se
• Calculated formula: C47 H38 Ag F3 Fe O3 P2 S Se
• SMILES: [Ag]1([Se]([c]23[Fe]456789%10([c]%11([cH]4[cH]5[cH]6[cH]7%11)[P]1(c1ccccc1)c1ccccc1)[cH]2[cH]8[cH]9[cH]3%10)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)OS(=O)(=O)C(F)(F)F
• Title of publication: Group 11 complexes with unsymmetrical P,S and P,Se disubstituted ferrocene ligands.
• Authors of publication: Aguado, Javier E.; Canales, Silvia; Gimeno, M Concepción; Jones, Peter G.; Laguna, Antonio; Villacampa, M. Dolores
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 18
• Pages of publication: 3005 - 3015
• a: 12.9511 ± 0.0014 Å
• b: 16.8249 ± 0.0019 Å
• c: 20.548 ± 0.002 Å
• α: 90°
• β: 106.689 ± 0.003°
• γ: 90°
• Cell volume: 4288.8 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.1155
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1111
• Weighted residual factors for all reflections included in the refinement: 0.1287
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No