Information card for entry 4070802

Structure parameters

• Formula: C31 H23 Au Fe N P
• Calculated formula: C31 H23 Au Fe N P
• SMILES: [Fe]12345678([c]9([cH]1[cH]2[cH]3[cH]49)[P](c1ccccc1)(c1ccccc1)[Au]C#Cc1ccc(cc1)C#N)[cH]1[cH]8[cH]7[cH]6[cH]51
• 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: 25.095 ± 0.002 Å
• b: 9.5949 ± 0.0008 Å
• c: 21.9949 ± 0.0014 Å
• α: 90°
• β: 102.725 ± 0.006°
• γ: 90°
• Cell volume: 5165.9 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0454
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.0487
• Weighted residual factors for all reflections included in the refinement: 0.0519
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No