Information card for entry 4070799

Structure parameters

• Formula: C35 H28 Au Cl2 Fe N2 P
• Calculated formula: C35 H28 Au Cl2 Fe N2 P
• SMILES: [Fe]12345678([cH]9[cH]4[cH]3[cH]2[cH]19)[c]1([cH]5[cH]6[cH]7[cH]81)[P](c1ccccc1)(c1ccccc1)[Au]C#Cc1cnc(cc1)c1ccccn1.C(Cl)Cl
• 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: 9.0155 ± 0.001 Å
• b: 13.2674 ± 0.0015 Å
• c: 14.053 ± 0.0016 Å
• α: 89.565 ± 0.002°
• β: 85.665 ± 0.002°
• γ: 72.289 ± 0.002°
• Cell volume: 1596.5 ± 0.3 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 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: 0.0436
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0839
• Weighted residual factors for all reflections included in the refinement: 0.0883
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No