Information card for entry 7008747

Structure parameters

• Formula: C34 H23 Au F5 Fe P Se
• Calculated formula: C34 H23 Au F5 Fe P Se
• SMILES: [Au]([P]([c]12[Fe]3456789([c]%10([cH]3[cH]4[cH]5[cH]6%10)[Se]c3ccccc3)[cH]1[cH]7[cH]8[cH]29)(c1ccccc1)c1ccccc1)c1c(c(c(c(c1F)F)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: 11.7891 ± 0.0005 Å
• b: 14.7442 ± 0.0006 Å
• c: 18.4764 ± 0.0008 Å
• α: 73.385 ± 0.001°
• β: 84.788 ± 0.001°
• γ: 76.932 ± 0.001°
• Cell volume: 2996.6 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0557
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.0966
• Goodness-of-fit parameter for all reflections included in the refinement: 0.933
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No