Information card for entry 7008745

Structure parameters

• Formula: C28 H23 Au Cl Fe P Se
• Calculated formula: C28 H23 Au Cl Fe P Se
• SMILES: [Au](Cl)[P]([c]12[cH]3[Fe]4567891([c]1([Se]c%10ccccc%10)[cH]4[cH]5[cH]6[cH]71)[cH]3[cH]9[cH]28)(c1ccccc1)c1ccccc1
• 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: 10.041 ± 0.0007 Å
• b: 22.009 ± 0.0015 Å
• c: 11.8345 ± 0.0008 Å
• α: 90°
• β: 106.22 ± 0.001°
• γ: 90°
• Cell volume: 2511.2 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0697
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0711
• Weighted residual factors for all reflections included in the refinement: 0.0768
• Goodness-of-fit parameter for all reflections included in the refinement: 0.824
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No