Information card for entry 4070800

Structure parameters

• Formula: C60 H70 Au Cu F6 Fe N2 P2 Si4 Ti
• Calculated formula: C60 H70 Au Cu F6 Fe N2 P2 Si4 Ti
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[c]2([cH]1[cH]6[cH]7[cH]82)[P](c1ccccc1)(c1ccccc1)[Au]C#Cc1c[n]2c(cc1)c1cccc[n]1[Cu]1342[C](#[C]1[Si](C)(C)C)[Ti]1256789%10([C]3#[C]4[Si](C)(C)C)([c]3([cH]7[cH]6[cH]2[cH]13)[Si](C)(C)C)[c]1([cH]5[cH]%10[cH]9[cH]81)[Si](C)(C)C.[P](F)(F)(F)(F)(F)[F-]
• 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: 16.9879 ± 0.0008 Å
• b: 21.3635 ± 0.0011 Å
• c: 22.9555 ± 0.0011 Å
• α: 98.857 ± 0.001°
• β: 95.766 ± 0.001°
• γ: 105.072 ± 0.001°
• Cell volume: 7861.9 ± 0.7 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 10
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1436
• Residual factor for significantly intense reflections: 0.0737
• Weighted residual factors for significantly intense reflections: 0.1979
• Weighted residual factors for all reflections included in the refinement: 0.2268
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No