Information card for entry 4070797

Structure parameters

• Formula: C34 H28 Au Fe2 P
• Calculated formula: C34 H28 Au Fe2 P
• SMILES: [Fe]12345678([c]9([cH]4[cH]3[cH]2[cH]19)[P](c1ccccc1)(c1ccccc1)[Au]C#C[c]12[Fe]349%10%11%12%13([cH]1[cH]3[cH]4[cH]29)[cH]1[cH]%10[cH]%11[cH]%12[cH]%131)[cH]1[cH]5[cH]6[cH]7[cH]81
• Title of publication: Diphenylphosphinoferrocene Gold(I) Acetylides: Synthesis of Heterotri- and Heterotetrametallic Transition Metal Complexes
• Authors of publication: Packheiser, Rico; Jakob, Alexander; Ecorchard, Petra; Walfort, Bernhard; Lang, Heinrich
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 6
• Pages of publication: 1214
• a: 7.9659 ± 0.0006 Å
• b: 12.0238 ± 0.001 Å
• c: 15.14 ± 0.0013 Å
• α: 100.165 ± 0.007°
• β: 94.558 ± 0.007°
• γ: 96.371 ± 0.007°
• Cell volume: 1411.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0316
• Residual factor for significantly intense reflections: 0.0231
• Weighted residual factors for significantly intense reflections: 0.0535
• Weighted residual factors for all reflections included in the refinement: 0.0558
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No